| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 26.6 | Very low | 50.1 | Low | 237 Ų | 237 | 108.5 Ų | 108.5 | 100% | 1.167 | 63% | 0.634 | S | S | * | * | 0 | 141.5 | 0 | -71.9 | 172.4 | 177.9 | 0 | 0 | 107.9 | |||||
| 2 | T | 25.5 | Very low | 53.1 | Low | 137 Ų | 137 | 106 Ų | 106 | 84% | 0.84 | 61% | 0.614 | S | S | * | * | trans | 41.8 | 105.1 | 166.9 | 48.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 3 | A | 25.7 | Very low | 55.8 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 86% | 0.86 | 57% | 0.573 | S | S | * | * | trans | -70.1 | 129.4 | 165 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 4 | C | 27.8 | Very low | 57.9 | Low | 137 Ų | 137 | 97.3 Ų | 97.3 | 93% | 0.926 | 56% | 0.564 | S | S | * | * | trans | -158 | 136.3 | 167.8 | -107.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 5 | G | 32.8 | Very low | 59.4 | Low | 42 Ų | 42 | 91.3 Ų | 91.3 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | trans | 119.9 | 42.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 118.8 | D7 | G5-D7 PolarHBondContact O-N 3.15Š| ||
| 6 | T | 46.5 | Very low | 60.6 | Low | 143 Ų | 143 | 90.6 Ų | 90.6 | 88% | 0.877 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 3.2 | 176.5 | 47.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 7 | D | 54.5 | Low | 61.3 | Low | 136 Ų | 136 | 86.9 Ų | 86.9 | 73% | 0.727 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -4.2 | -176.5 | -93.1 | -15.6 | 0 | 0 | 0 | 114.9 | G5 | G5-D7 PolarHBondContact O-N 3.15Š|
| 8 | E | 67.8 | Low | 61.6 | Low | 34 Ų | 34 | 88.1 Ų | 88.1 | 16% | 0.159 | 51% | 0.511 | C | S | . | . | S | Bend | trans | -78.8 | -32.2 | -171.5 | -64.7 | 177.3 | -174.9 | 0 | 0 | 113.3 | V430 R478 | E8-V430 HydrophobicContact CB-CG1 4.12Å; E8-V430 WeakPolarHBondContact OE2-CG1 3.27Å; E8-R478 IonicContact OE1-CZ 3.36Å; E8-R478 VanDerWaalsContact OE1-CZ 3.27Å; E8-R478 IonicContact OE1-NH1 2.75Å; E8-R478 PolarHBondContact OE1-NH1 3.06Å; E8-R478 IonicContact OE1-NH2 3.97Å; E8-R478 PolarHBondContact OE1-NH2 3.44Å |
| 9 | I | 76.3 | Confident | 62.3 | Low | 40 Ų | 40 | 88.5 Ų | 88.5 | 21% | 0.205 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 105.6 | -177.9 | -54.1 | 172.6 | 0 | 0 | 0 | 108 | R11 I12 A469 M471 | I9-R11 VanDerWaalsContact C-N 3.32Å; I9-R11 WeakPolarHBondContact CG2-O 3.32Å; I9-R11 PolarHBondContact O-N 3.36Å; I9-I12 HydrophobicContact CG2-CD1 4.07Å; I9-I12 HydrophobicContact CG2-CG1 3.55Å; I9-A469 HydrophobicContact CG2-CB 3.86Å; I9-M471 HydrophobicContact CG1-CG 4.11Å |
| 10 | Q | 81 | Confident | 63 | Low | 94 Ų | 94 | 86.8 Ų | 86.8 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | -33.9 | -179.6 | -69.5 | -162.2 | -27 | 0 | 0 | 113.1 | F450 K470 | Q10-F450 VanDerWaalsContact CD-CE1 3.5Å; Q10-K470 PolarHBondContact N-O 2.8Å |
| 11 | R | 86.9 | Confident | 64.1 | Low | 90 Ų | 90 | 83 Ų | 83 | 34% | 0.34 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 145.3 | -177.8 | -154.2 | 104.9 | -173.2 | -118 | 5.5 | 111.5 | I9 D48 L49 R50 A469 K470 | I9-R11 VanDerWaalsContact C-N 3.32Å; I9-R11 WeakPolarHBondContact CG2-O 3.32Å; I9-R11 PolarHBondContact O-N 3.36Å; R11-D48 WeakPolarHBondContact CD-O 3.15Å; R11-D48 VanDerWaalsContact CG-O 3.29Å; R11-D48 WeakPolarHBondContact CG-O 3.22Å; R11-D48 PolarHBondContact NH1-O 3.11Å; R11-L49 HydrophobicContact CB-CD1 4.47Å; R11-L49 HydrophobicContact CG-CB 4.22Å; R11-R50 VanDerWaalsContact NH1-NE 3.12Å; R11-A469 WeakPolarHBondContact O-CA 3.44Å; R11-K470 HydrophobicContact CB-CB 4.17Å; R11-K470 PolarHBondContact N-O 3.11Å; R11-K470 PolarHBondContact O-N 3.13Å |
| 12 | I | 86.4 | Confident | 66.9 | Low | 78 Ų | 78 | 73.4 Ų | 73.4 | 40% | 0.4 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 130.5 | 172.5 | -66.7 | 177.8 | 0 | 0 | 0 | 108.2 | I9 I467 V468 | I9-I12 HydrophobicContact CG2-CD1 4.07Å; I9-I12 HydrophobicContact CG2-CG1 3.55Å; I12-I467 HydrophobicContact CD1-CD1 4.32Å; I12-I467 HydrophobicContact CG2-CB 3.74Å; I12-I467 HydrophobicContact CG2-CG2 3.42Å; I12-I467 VanDerWaalsContact CG2-CG2 3.42Å; I12-V468 CarbonylContact C-O 3.56Å; I12-V468 WeakPolarHBondContact CA-O 3.47Å |
| 13 | F | 88.4 | Confident | 70 | Confident | 16 Ų | 16 | 68.2 Ų | 68.2 | 7% | 0.07 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 121.8 | 157.5 | 166.1 | -98.7 | 0 | 0 | 0 | 108.4 | Y43 L45 L49 L51 I467 V468 | F13-Y43 HydrophobicContact CE1-CD2 4.19Å; F13-Y43 HydrophobicContact CE1-CG 4.43Å; F13-Y43 HydrophobicContact CZ-CD1 4.19Å; F13-Y43 HydrophobicContact CZ-CD2 4.11Å; F13-Y43 HydrophobicContact CZ-CE1 4.48Å; F13-Y43 HydrophobicContact CZ-CE2 4.38Å; F13-Y43 AromaticContact CZ-CG 3.99Å; F13-Y43 HydrophobicContact CZ-CG 3.99Å; F13-L45 HydrophobicContact CB-CD1 3.95Å; F13-L45 HydrophobicContact CD1-CD1 3.85Å; F13-L45 HydrophobicContact CD1-CD2 4.46Å; F13-L45 HydrophobicContact CD2-CD1 4.2Å; F13-L45 HydrophobicContact CD2-CD2 3.71Å; F13-L45 HydrophobicContact CE1-CD1 4.39Å; F13-L45 HydrophobicContact CE1-CD2 4.45Å; F13-L45 HydrophobicContact CE2-CD2 3.7Å; F13-L45 HydrophobicContact CG-CD1 3.73Å; F13-L45 HydrophobicContact CG-CD2 4.11Å; F13-L45 HydrophobicContact CZ-CD2 4.08Å; F13-L49 HydrophobicContact CB-CB 3.98Å; F13-L51 HydrophobicContact CE2-CB 4.36Å; F13-L51 HydrophobicContact CE2-CD1 4.46Å; F13-I467 CarbonylContact O-C 3.46Å; F13-I467 WeakPolarHBondContact O-CA 3.36Å; F13-V468 HydrophobicContact CB-CB 4.41Å; F13-V468 HydrophobicContact CD1-CB 4.48Å; F13-V468 HydrophobicContact CD1-CG2 4.35Å; F13-V468 PolarHBondContact N-O 2.68Å; F13-V468 PolarHBondContact O-N 3.08Å |
| 14 | T | 84.1 | Confident | 73.2 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 45% | 0.454 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 126 | 176.7 | -53.4 | 0 | 0 | 0 | 0 | 109.1 | P16 A465 R466 | T14-P16 WeakPolarHBondContact O-CD 3.39Å; T14-A465 HydrophobicContact CG2-CB 3.31Å; T14-R466 WeakPolarHBondContact CA-O 3.28Å |
| 15 | N | 81.1 | Confident | 76.4 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 121.9 | -179.5 | -176 | 26.3 | 0 | 0 | 0 | 110.8 | T17 Y19 L21 Y43 R466 | N15-T17 PolarHBondContact ND2-O 2.81Å; N15-T17 PolarHBondContact ND2-OG1 2.79Å; N15-T17 PolarHBondContact O-N 3.02Å; N15-T17 VanDerWaalsContact O-N 3.12Å; N15-T17 PolarHBondContact OD1-OG1 3.46Å; N15-Y19 PolarHBondContact ND2-O 3.33Å; N15-L21 HydrophobicContact CB-CD1 4.15Å; N15-L21 HydrophobicContact CB-CD2 4.09Å; N15-L21 HydrophobicContact CB-CG 4.09Å; N15-Y43 VanDerWaalsContact OD1-CE2 3.22Å; N15-Y43 WeakPolarHBondContact OD1-CE2 3.37Å; N15-Y43 VanDerWaalsContact OD1-CZ 3.27Å; N15-Y43 PolarHBondContact OD1-OH 3.31Å; N15-R466 HydrophobicContact CB-CB 4.02Å; N15-R466 PolarHBondContact N-O 3.39Å |
| 16 | P | 77.8 | Confident | 79.3 | Confident | 80 Ų | 80 | 56.6 Ų | 56.6 | 52% | 0.519 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -76.3 | 8.5 | -178.6 | 32.1 | -37.9 | 0 | 0 | 0 | 114.3 | T14 Y43 | T14-P16 WeakPolarHBondContact O-CD 3.39Å; P16-Y43 HydrophobicContact CG-CE1 3.87Å |
| 17 | T | 73.1 | Confident | 81.5 | Confident | 28 Ų | 28 | 49.8 Ų | 49.8 | 17% | 0.172 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -131 | 157.1 | -179.9 | 64.8 | 0 | 0 | 0 | 0 | 113 | N15 Y19 Y43 R466 | N15-T17 PolarHBondContact ND2-O 2.81Å; N15-T17 PolarHBondContact ND2-OG1 2.79Å; N15-T17 PolarHBondContact O-N 3.02Å; N15-T17 VanDerWaalsContact O-N 3.12Å; N15-T17 PolarHBondContact OD1-OG1 3.46Å; T17-Y19 PolarHBondContact O-N 3.27Å; T17-Y43 PolarHBondContact OG1-OH 3.19Å; T17-R466 PolarHBondContact O-NH1 2.81Å |
| 18 | D | 67.3 | Low | 83 | Confident | 108 Ų | 108 | 46.7 Ų | 46.7 | 58% | 0.578 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -66.8 | -12.8 | 172.3 | -79.9 | -62.6 | 0 | 0 | 0 | 114.5 | R457 R466 | D18-R457 PolarHBondContact O-NH1 3.09Å; D18-R457 IonicContact OD1-CZ 3.73Å; D18-R457 IonicContact OD1-NH1 2.64Å; D18-R457 PolarHBondContact OD1-NH1 3.3Å; D18-R457 IonicContact OD1-NH2 2.62Å; D18-R466 VanDerWaalsContact O-CZ 3.29Å; D18-R466 PolarHBondContact O-NH1 3.1Å; D18-R466 PolarHBondContact O-NH2 2.84Å |
| 19 | Y | 74.5 | Confident | 83.8 | Confident | 96 Ų | 96 | 49.6 Ų | 49.6 | 38% | 0.376 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -85.7 | 137.3 | -168.8 | -72.7 | -65.6 | 0 | 0 | 0 | 114.9 | N15 T17 L21 V39 N40 D81 R466 | N15-Y19 PolarHBondContact ND2-O 3.33Å; T17-Y19 PolarHBondContact O-N 3.27Å; Y19-L21 PolarHBondContact O-N 3.11Å; Y19-V39 VanDerWaalsContact CB-O 3.29Å; Y19-V39 WeakPolarHBondContact CB-O 3.48Å; Y19-V39 HydrophobicContact CD1-CB 4.27Å; Y19-V39 HydrophobicContact CD1-CG1 3.59Å; Y19-V39 HydrophobicContact CE1-CG1 4.31Å; Y19-V39 HydrophobicContact CG-CB 4.46Å; Y19-V39 HydrophobicContact CG-CG1 4.13Å; Y19-N40 WeakPolarHBondContact CE1-ND2 3.49Å; Y19-N40 VanDerWaalsContact CZ-ND2 3.35Å; Y19-D81 WeakPolarHBondContact CE1-OD1 3.18Å; Y19-D81 WeakPolarHBondContact CE1-OD2 3.32Å; Y19-R466 VanDerWaalsContact C-NH1 3.34Å; Y19-R466 PolarHBondContact O-NH1 3.48Å |
| 20 | P | 76.2 | Confident | 84.2 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 35% | 0.351 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -46.5 | 128.8 | -175.4 | -32.8 | 35.2 | 0 | 0 | 0 | 115.8 | Q22 G38 V39 R466 | P20-Q22 HydrophobicContact CB-CG 4.15Å; P20-G38 CarbonylContact O-C 3.51Å; P20-G38 VanDerWaalsContact O-C 3.29Å; P20-G38 WeakPolarHBondContact O-CA 3.41Å; P20-V39 HydrophobicContact CB-CG2 3.89Å; P20-V39 HydrophobicContact CG-CG2 3.99Å; P20-V39 PolarHBondContact O-N 3.35Å; P20-R466 VanDerWaalsContact CA-NE 3.34Å; P20-R466 VanDerWaalsContact CA-NH2 3.28Å |
| 21 | L | 85.9 | Confident | 84.5 | Confident | 8 Ų | 8 | 51.7 Ų | 51.7 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 141 | 157.3 | -63.1 | -173.3 | 0 | 0 | 0 | 108 | N15 Y19 V36 Y43 M454 R466 V468 | N15-L21 HydrophobicContact CB-CD1 4.15Å; N15-L21 HydrophobicContact CB-CD2 4.09Å; N15-L21 HydrophobicContact CB-CG 4.09Å; Y19-L21 PolarHBondContact O-N 3.11Å; L21-V36 HydrophobicContact CD1-CG1 4.09Å; L21-V36 HydrophobicContact CD2-CG1 3.97Å; L21-V36 HydrophobicContact CG-CG1 4.45Å; L21-Y43 HydrophobicContact CD2-CD2 4.32Å; L21-Y43 HydrophobicContact CD2-CE2 3.96Å; L21-M454 HydrophobicContact CB-CG 4.29Å; L21-M454 HydrophobicContact CB-SD 3.7Å; L21-M454 HydrophobicContact CD1-CG 4.22Å; L21-M454 HydrophobicContact CD1-SD 4.16Å; L21-R466 HydrophobicContact CD1-CB 4.05Å; L21-R466 HydrophobicContact CG-CB 4.17Å; L21-R466 VanDerWaalsContact N-CD 3.33Å; L21-V468 HydrophobicContact CD1-CG2 4.01Å |
| 22 | Q | 86.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 47.6 Ų | 47.6 | 17% | 0.168 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | -40.8 | -167.8 | -67.5 | -179.2 | -60.1 | 0 | 0 | 113.7 | P20 A37 N84 F441 | P20-Q22 HydrophobicContact CB-CG 4.15Å; Q22-A37 PolarHBondContact N-O 2.88Å; Q22-N84 HydrophobicContact CB-CB 4.42Å; Q22-F441 WeakPolarHBondContact O-CD2 3.44Å; Q22-F441 WeakPolarHBondContact O-CE2 3.49Å |
| 23 | R | 90.7 | Very high | 85 | Confident | 27 Ų | 27 | 46 Ų | 46 | 10% | 0.102 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 152 | 178.5 | -69.4 | -162.3 | 177 | 70.3 | 3.4 | 113 | V36 A37 N84 R85 L87 S133 F441 | R23-V36 CarbonylContact O-C 3.52Å; R23-V36 WeakPolarHBondContact O-CA 3.42Å; R23-A37 PolarHBondContact N-O 3.05Å; R23-A37 PolarHBondContact O-N 3.29Å; R23-N84 WeakPolarHBondContact CD-OD1 3.4Å; R23-N84 PolarHBondContact NH1-O 3.01Å; R23-N84 PolarHBondContact NH1-OD1 3.07Å; R23-R85 PolarHBondContact NH1-O 3.42Å; R23-R85 PolarHBondContact NH2-O 3.27Å; R23-L87 HydrophobicContact CB-CB 3.85Å; R23-L87 HydrophobicContact CB-CD2 3.97Å; R23-S133 PolarHBondContact NH2-O 2.95Å; R23-S133 PolarHBondContact NH2-OG 2.82Å; R23-F441 HydrophobicContact CG-CD2 4.4Å; R23-F441 HydrophobicContact CG-CE1 4.01Å; R23-F441 HydrophobicContact CG-CE2 3.89Å; R23-F441 HydrophobicContact CG-CZ 3.69Å |
| 24 | L | 93 | Very high | 85.3 | Confident | 4 Ų | 4 | 45.2 Ų | 45.2 | 2% | 0.021 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 134.8 | 176 | -175.4 | 154.8 | 0 | 0 | 0 | 109.6 | V26 V34 Y35 V36 F441 Q443 M454 V468 | L24-V26 HydrophobicContact CD2-CG2 3.92Å; L24-V34 HydrophobicContact CD1-CG1 4.06Å; L24-V34 HydrophobicContact CD2-CG1 4.02Å; L24-V34 HydrophobicContact CG-CG1 3.87Å; L24-Y35 WeakPolarHBondContact CA-O 3.47Å; L24-V36 HydrophobicContact CD1-CG2 4.27Å; L24-V36 HydrophobicContact CG-CG2 4.31Å; L24-F441 HydrophobicContact CB-CB 4.02Å; L24-Q443 HydrophobicContact CD2-CB 3.74Å; L24-Q443 HydrophobicContact CD2-CG 3.67Å; L24-M454 HydrophobicContact CB-CE 4.09Å; L24-M454 HydrophobicContact CB-SD 4.31Å; L24-M454 HydrophobicContact CD1-CB 4.36Å; L24-V468 HydrophobicContact CD1-CG1 3.52Å; L24-V468 HydrophobicContact CD1-CG2 4.14Å |
| 25 | V | 94 | Very high | 85.9 | Confident | 27 Ų | 27 | 41.7 Ų | 41.7 | 16% | 0.164 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 149.1 | 172.9 | 70.3 | 0 | 0 | 0 | 0 | 110.6 | Y35 L87 I89 L96 | V25-Y35 HydrophobicContact CG1-CD2 4.21Å; V25-Y35 PolarHBondContact N-O 3.11Å; V25-Y35 PolarHBondContact O-N 3.39Å; V25-L87 HydrophobicContact CB-CD2 4.48Å; V25-L87 HydrophobicContact CG1-CD2 3.87Å; V25-L87 HydrophobicContact CG1-CG 3.82Å; V25-I89 HydrophobicContact CG1-CD1 4.06Å; V25-I89 HydrophobicContact CG1-CG1 3.92Å; V25-I89 HydrophobicContact CG2-CD1 3.83Å; V25-I89 HydrophobicContact CG2-CG1 3.99Å; V25-L96 HydrophobicContact CG1-CD1 4.14Å |
| 26 | V | 94.1 | Very high | 86.4 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 5% | 0.048 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 129.8 | -175.6 | -177 | 0 | 0 | 0 | 0 | 110.1 | L24 R28 R33 V34 Q443 Y452 | L24-V26 HydrophobicContact CD2-CG2 3.92Å; V26-R28 HydrophobicContact CB-CG 4.47Å; V26-R28 HydrophobicContact CG1-CG 4.25Å; V26-R28 PolarHBondContact O-N 3.24Å; V26-R33 WeakPolarHBondContact CA-O 3.33Å; V26-V34 HydrophobicContact CG2-CG1 4.19Å; V26-V34 HydrophobicContact CG2-CG2 4.2Å; V26-Q443 HydrophobicContact CG2-CB 3.66Å; V26-Q443 HydrophobicContact CG2-CG 4.35Å; V26-Y452 HydrophobicContact CG1-CE2 4.33Å; V26-Y452 HydrophobicContact CG2-CD2 3.78Å; V26-Y452 HydrophobicContact CG2-CE2 4.1Å |
| 27 | E | 91.8 | Very high | 87 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -80.6 | 85.5 | 176.1 | -166.7 | -161 | -135.1 | 0 | 0 | 111.3 | L29 T31 G32 R33 Y35 I89 L111 | E27-L29 PolarHBondContact O-N 2.95Å; E27-T31 VanDerWaalsContact OE2-CB 3.25Å; E27-T31 WeakPolarHBondContact OE2-CB 3.39Å; E27-T31 WeakPolarHBondContact OE2-CG2 3.46Å; E27-T31 PolarHBondContact OE2-N 2.9Å; E27-T31 PolarHBondContact OE2-OG1 3.33Å; E27-G32 VanDerWaalsContact O-CA 3.25Å; E27-G32 WeakPolarHBondContact O-CA 3.39Å; E27-G32 PolarHBondContact O-N 2.8Å; E27-R33 PolarHBondContact N-O 2.8Å; E27-Y35 HydrophobicContact CB-CE2 4.18Å; E27-I89 HydrophobicContact CB-CD1 3.84Å; E27-I89 HydrophobicContact CG-CD1 4.32Å; E27-L111 WeakPolarHBondContact OE1-CD1 3.37Å | ||
| 28 | R | 87.2 | Confident | 87.6 | Confident | 71 Ų | 71 | 36.3 Ų | 36.3 | 27% | 0.268 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -27.4 | -176 | -56.2 | -168 | -166 | 172.2 | 11.1 | 114.1 | V26 Y264 F444 K446 | V26-R28 HydrophobicContact CB-CG 4.47Å; V26-R28 HydrophobicContact CG1-CG 4.25Å; V26-R28 PolarHBondContact O-N 3.24Å; R28-Y264 PolarHBondContact NH2-OH 3.22Å; R28-F444 PolarHBondContact NE-O 3.46Å; R28-F444 VanDerWaalsContact NE-O 3.09Å; R28-K446 WeakPolarHBondContact O-CD 3.36Å; R28-K446 VanDerWaalsContact O-CE 3.32Å; R28-K446 WeakPolarHBondContact O-CE 3.46Å; R28-K446 WeakPolarHBondContact O-CG 3.36Å |
| 29 | L | 83.7 | Confident | 88.4 | Confident | 95 Ų | 95 | 31.4 Ų | 31.4 | 50% | 0.497 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -50.6 | -175 | -64.1 | -176.6 | 0 | 0 | 0 | 113.5 | E27 H91 K446 | E27-L29 PolarHBondContact O-N 2.95Å; L29-H91 HydrophobicContact CD1-CB 4.13Å; L29-K446 WeakPolarHBondContact O-CE 3.37Å; L29-K446 PolarHBondContact O-NZ 3.48Å |
| 30 | Y | 84.2 | Confident | 88.8 | Confident | 131 Ų | 131 | 27.6 Ų | 27.6 | 51% | 0.514 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -74.7 | -168.3 | -53.5 | -67.3 | 0 | 0 | 0 | 112.5 | K446 | Y30-K446 PolarHBondContact O-NZ 2.82Š|
| 31 | T | 87.7 | Confident | 89.4 | Confident | 47 Ų | 47 | 28 Ų | 28 | 29% | 0.288 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -23.1 | -164.8 | 66.7 | 0 | 0 | 0 | 0 | 115.6 | E27 R33 | E27-T31 VanDerWaalsContact OE2-CB 3.25Å; E27-T31 WeakPolarHBondContact OE2-CB 3.39Å; E27-T31 WeakPolarHBondContact OE2-CG2 3.46Å; E27-T31 PolarHBondContact OE2-N 2.9Å; E27-T31 PolarHBondContact OE2-OG1 3.33Å; T31-R33 PolarHBondContact O-N 2.6Å; T31-R33 WeakPolarHBondContact OG1-CB 3.08Å; T31-R33 WeakPolarHBondContact OG1-CG 3.38Å; T31-R33 PolarHBondContact OG1-N 2.62Å |
| 32 | G | 90.7 | Very high | 89.7 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 5% | 0.052 | 13% | 0.127 | C | C | . | . | trans | 72.8 | 8.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E27 | E27-G32 VanDerWaalsContact O-CA 3.25Å; E27-G32 WeakPolarHBondContact O-CA 3.39Å; E27-G32 PolarHBondContact O-N 2.8Å | ||
| 33 | R | 94 | Very high | 90 | Very high | 43 Ų | 43 | 26 Ų | 26 | 16% | 0.162 | 12% | 0.119 | C | C | . | . | trans | -59.3 | 149.3 | 174.2 | -76.5 | 176 | -178.4 | 129 | 8.4 | 111.7 | V26 E27 T31 Y35 L45 E52 L111 | V26-R33 WeakPolarHBondContact CA-O 3.33Å; E27-R33 PolarHBondContact N-O 2.8Å; T31-R33 PolarHBondContact O-N 2.6Å; T31-R33 WeakPolarHBondContact OG1-CB 3.08Å; T31-R33 WeakPolarHBondContact OG1-CG 3.38Å; T31-R33 PolarHBondContact OG1-N 2.62Å; R33-Y35 HydrophobicContact CB-CE2 4.05Å; R33-Y35 WeakPolarHBondContact CD-OH 3.32Å; R33-L45 WeakPolarHBondContact CA-O 3.41Å; R33-E52 WeakPolarHBondContact CD-OE2 3.21Å; R33-E52 IonicContact CZ-OE2 2.66Å; R33-E52 IonicContact NE-OE2 3.06Å; R33-E52 PolarHBondContact NE-OE2 2.88Å; R33-E52 IonicContact NH2-OE2 2.68Å; R33-L111 PolarHBondContact NH1-O 3.1Å | ||
| 34 | V | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 121.3 | 178.4 | -172.5 | 0 | 0 | 0 | 0 | 108.2 | L24 V26 V36 L45 L49 Y452 | L24-V34 HydrophobicContact CD1-CG1 4.06Å; L24-V34 HydrophobicContact CD2-CG1 4.02Å; L24-V34 HydrophobicContact CG-CG1 3.87Å; V26-V34 HydrophobicContact CG2-CG1 4.19Å; V26-V34 HydrophobicContact CG2-CG2 4.2Å; V34-V36 HydrophobicContact CG1-CG2 4.11Å; V34-L45 HydrophobicContact CB-CB 4.3Å; V34-L45 PolarHBondContact N-O 3.27Å; V34-L45 WeakPolarHBondContact O-CA 3.37Å; V34-L45 WeakPolarHBondContact O-CB 3.39Å; V34-L45 PolarHBondContact O-N 3.09Å; V34-L49 HydrophobicContact CB-CD2 4.27Å; V34-L49 HydrophobicContact CG1-CD2 4.33Å; V34-L49 HydrophobicContact CG2-CD2 4.1Å; V34-Y452 HydrophobicContact CG2-CD1 4.28Å; V34-Y452 HydrophobicContact CG2-CD2 4.3Å; V34-Y452 HydrophobicContact CG2-CE1 3.87Å; V34-Y452 HydrophobicContact CG2-CE2 3.89Å; V34-Y452 HydrophobicContact CG2-CG 4.47Å |
| 35 | Y | 95.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 133.6 | 174.7 | -51.7 | -88.8 | 0 | 0 | 0 | 109.3 | L24 V25 E27 R33 Y43 Q44 I89 L96 L111 | L24-Y35 WeakPolarHBondContact CA-O 3.47Å; V25-Y35 HydrophobicContact CG1-CD2 4.21Å; V25-Y35 PolarHBondContact N-O 3.11Å; V25-Y35 PolarHBondContact O-N 3.39Å; E27-Y35 HydrophobicContact CB-CE2 4.18Å; R33-Y35 HydrophobicContact CB-CE2 4.05Å; R33-Y35 WeakPolarHBondContact CD-OH 3.32Å; Y35-Y43 WeakPolarHBondContact CA-O 3.31Å; Y35-Q44 HydrophobicContact CD1-CB 4.07Å; Y35-Q44 HydrophobicContact CD1-CG 4.2Å; Y35-Q44 HydrophobicContact CE1-CB 4.08Å; Y35-Q44 HydrophobicContact CE1-CG 3.76Å; Y35-I89 HydrophobicContact CD2-CD1 4.2Å; Y35-I89 HydrophobicContact CE2-CD1 4.21Å; Y35-L96 HydrophobicContact CD1-CD2 3.69Å; Y35-L96 HydrophobicContact CD2-CD1 4.29Å; Y35-L96 HydrophobicContact CE1-CD2 4.39Å; Y35-L96 HydrophobicContact CG-CD1 4.14Å; Y35-L96 HydrophobicContact CG-CD2 3.9Å; Y35-L111 HydrophobicContact CE1-CD2 4.22Å; Y35-L111 HydrophobicContact CE2-CD2 3.77Å; Y35-L111 WeakPolarHBondContact OH-CD2 3.31Å; Y35-L111 PolarHBondContact OH-O 3.47Å |
| 36 | V | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 115.8 | -175.5 | -173 | 0 | 0 | 0 | 0 | 108.4 | L21 R23 L24 V34 Y43 L45 M454 V468 | L21-V36 HydrophobicContact CD1-CG1 4.09Å; L21-V36 HydrophobicContact CD2-CG1 3.97Å; L21-V36 HydrophobicContact CG-CG1 4.45Å; R23-V36 CarbonylContact O-C 3.52Å; R23-V36 WeakPolarHBondContact O-CA 3.42Å; L24-V36 HydrophobicContact CD1-CG2 4.27Å; L24-V36 HydrophobicContact CG-CG2 4.31Å; V34-V36 HydrophobicContact CG1-CG2 4.11Å; V36-Y43 PolarHBondContact N-O 3.32Å; V36-Y43 PolarHBondContact O-N 3.22Å; V36-L45 HydrophobicContact CG2-CD1 3.73Å; V36-L45 HydrophobicContact CG2-CG 4.35Å; V36-M454 HydrophobicContact CG1-SD 3.98Å; V36-V468 HydrophobicContact CG1-CG2 4.13Å; V36-V468 HydrophobicContact CG2-CG2 4.16Å |
| 37 | A | 90.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q22 R23 V42 N84 L87 | Q22-A37 PolarHBondContact N-O 2.88Å; R23-A37 PolarHBondContact N-O 3.05Å; R23-A37 PolarHBondContact O-N 3.29Å; A37-V42 HydrophobicContact CB-CG2 3.97Å; A37-N84 HydrophobicContact CB-CB 4.05Å; A37-L87 HydrophobicContact CB-CB 4.38Å; A37-L87 HydrophobicContact CB-CD1 4.04Å; A37-L87 HydrophobicContact CB-CD2 3.8Å; A37-L87 HydrophobicContact CB-CG 4.29Å |
| 38 | G | 85.5 | Confident | 90.2 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | -176.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P20 N40 R41 | P20-G38 CarbonylContact O-C 3.51Å; P20-G38 VanDerWaalsContact O-C 3.29Å; P20-G38 WeakPolarHBondContact O-CA 3.41Å; G38-N40 PolarHBondContact O-N 3.44Å; G38-R41 CarbonylContact C-O 3.49Å; G38-R41 PolarHBondContact N-O 2.86Å; G38-R41 PolarHBondContact O-N 3.07Å |
| 39 | V | 83.7 | Confident | 90.4 | Very high | 6 Ų | 6 | 26.4 Ų | 26.4 | 4% | 0.036 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 129.4 | 176 | 170.3 | 0 | 0 | 0 | 0 | 109.2 | Y19 P20 R41 D81 S82 Q83 | Y19-V39 VanDerWaalsContact CB-O 3.29Å; Y19-V39 WeakPolarHBondContact CB-O 3.48Å; Y19-V39 HydrophobicContact CD1-CB 4.27Å; Y19-V39 HydrophobicContact CD1-CG1 3.59Å; Y19-V39 HydrophobicContact CE1-CG1 4.31Å; Y19-V39 HydrophobicContact CG-CB 4.46Å; Y19-V39 HydrophobicContact CG-CG1 4.13Å; P20-V39 HydrophobicContact CB-CG2 3.89Å; P20-V39 HydrophobicContact CG-CG2 3.99Å; P20-V39 PolarHBondContact O-N 3.35Å; V39-R41 PolarHBondContact O-N 3.11Å; V39-D81 HydrophobicContact CG1-CB 3.72Å; V39-S82 WeakPolarHBondContact CA-O 3.41Å; V39-Q83 HydrophobicContact CG2-CG 4.17Å |
| 40 | N | 83.8 | Confident | 90.9 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 8% | 0.08 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.6 | -1.7 | -177.2 | -55.6 | -29.2 | 0 | 0 | 0 | 117.2 | Y19 G38 N56 T57 A58 D81 S82 | Y19-N40 WeakPolarHBondContact CE1-ND2 3.49Å; Y19-N40 VanDerWaalsContact CZ-ND2 3.35Å; G38-N40 PolarHBondContact O-N 3.44Å; N40-N56 WeakPolarHBondContact O-CA 3.48Å; N40-T57 VanDerWaalsContact CA-OG1 3.27Å; N40-T57 WeakPolarHBondContact CA-OG1 3.37Å; N40-T57 PolarHBondContact O-N 3.3Å; N40-T57 PolarHBondContact O-OG1 2.92Å; N40-A58 HydrophobicContact CB-CB 4.06Å; N40-A58 VanDerWaalsContact OD1-CB 3.24Å; N40-A58 WeakPolarHBondContact OD1-CB 3.22Å; N40-D81 PolarHBondContact ND2-OD1 3.42Å; N40-D81 WeakPolarHBondContact OD1-CA 3.34Å; N40-S82 WeakPolarHBondContact CA-OG 3.38Å; N40-S82 PolarHBondContact N-O 3.38Å; N40-S82 VanDerWaalsContact N-O 3.11Å; N40-S82 PolarHBondContact N-OG 2.79Å; N40-S82 PolarHBondContact OD1-N 2.96Å; N40-S82 PolarHBondContact OD1-OG 3.16Å |
| 41 | R | 88 | Confident | 91.3 | Very high | 63 Ų | 63 | 26.8 Ų | 26.8 | 24% | 0.238 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 152 | -178 | -72.1 | -164.4 | 176.5 | 168.3 | 10.9 | 116.1 | G38 V39 Y43 A55 N56 T57 | G38-R41 CarbonylContact C-O 3.49Å; G38-R41 PolarHBondContact N-O 2.86Å; G38-R41 PolarHBondContact O-N 3.07Å; V39-R41 PolarHBondContact O-N 3.11Å; R41-Y43 HydrophobicContact CB-CE1 4.44Å; R41-Y43 HydrophobicContact CB-CE2 4.3Å; R41-A55 CarbonylContact C-O 3.46Å; R41-A55 VanDerWaalsContact CA-O 3.3Å; R41-A55 WeakPolarHBondContact CA-O 3.48Å; R41-N56 PolarHBondContact NE-OD1 3.02Å; R41-T57 PolarHBondContact N-OG1 2.93Å; R41-T57 VanDerWaalsContact N-OG1 3.14Å |
| 42 | V | 91.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.9 | 163.7 | -175 | 0 | 0 | 0 | 0 | 109.8 | A37 Q54 A55 T57 L87 L96 V98 V114 | A37-V42 HydrophobicContact CB-CG2 3.97Å; V42-Q54 CarbonylContact O-C 3.52Å; V42-Q54 VanDerWaalsContact O-CA 3.29Å; V42-Q54 WeakPolarHBondContact O-CA 3.42Å; V42-A55 PolarHBondContact N-O 3.46Å; V42-A55 PolarHBondContact O-N 3.18Å; V42-T57 HydrophobicContact CG2-CG2 3.94Å; V42-L87 HydrophobicContact CG1-CD1 4.37Å; V42-L96 HydrophobicContact CG1-CD2 4.23Å; V42-V98 HydrophobicContact CG1-CG2 4.48Å; V42-V98 HydrophobicContact CG2-CB 4.5Å; V42-V98 HydrophobicContact CG2-CG1 3.64Å; V42-V98 HydrophobicContact CG2-CG2 4.02Å; V42-V114 HydrophobicContact CB-CG2 4.33Å; V42-V114 HydrophobicContact CG1-CG2 3.87Å |
| 43 | Y | 93.9 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.4 | 178.4 | -54.9 | -72.9 | 0 | 0 | 0 | 110.5 | F13 N15 P16 T17 L21 Y35 V36 R41 L51 Q54 | F13-Y43 HydrophobicContact CE1-CD2 4.19Å; F13-Y43 HydrophobicContact CE1-CG 4.43Å; F13-Y43 HydrophobicContact CZ-CD1 4.19Å; F13-Y43 HydrophobicContact CZ-CD2 4.11Å; F13-Y43 HydrophobicContact CZ-CE1 4.48Å; F13-Y43 HydrophobicContact CZ-CE2 4.38Å; F13-Y43 AromaticContact CZ-CG 3.99Å; F13-Y43 HydrophobicContact CZ-CG 3.99Å; N15-Y43 VanDerWaalsContact OD1-CE2 3.22Å; N15-Y43 WeakPolarHBondContact OD1-CE2 3.37Å; N15-Y43 VanDerWaalsContact OD1-CZ 3.27Å; N15-Y43 PolarHBondContact OD1-OH 3.31Å; P16-Y43 HydrophobicContact CG-CE1 3.87Å; T17-Y43 PolarHBondContact OG1-OH 3.19Å; L21-Y43 HydrophobicContact CD2-CD2 4.32Å; L21-Y43 HydrophobicContact CD2-CE2 3.96Å; Y35-Y43 WeakPolarHBondContact CA-O 3.31Å; V36-Y43 PolarHBondContact N-O 3.32Å; V36-Y43 PolarHBondContact O-N 3.22Å; R41-Y43 HydrophobicContact CB-CE1 4.44Å; R41-Y43 HydrophobicContact CB-CE2 4.3Å; Y43-L51 HydrophobicContact CD1-CD1 3.84Å; Y43-L51 HydrophobicContact CG-CD1 4.37Å; Y43-Q54 HydrophobicContact CD1-CB 3.86Å; Y43-Q54 HydrophobicContact CE1-CB 4.31Å |
| 44 | Q | 95 | Very high | 91.5 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.019 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 118.6 | 166.3 | 172.4 | -174.2 | -28.6 | 0 | 0 | 107.9 | Y35 E52 S53 Y112 V114 | Y35-Q44 HydrophobicContact CD1-CB 4.07Å; Y35-Q44 HydrophobicContact CD1-CG 4.2Å; Y35-Q44 HydrophobicContact CE1-CB 4.08Å; Y35-Q44 HydrophobicContact CE1-CG 3.76Å; Q44-E52 HydrophobicContact CG-CB 4.2Å; Q44-E52 PolarHBondContact NE2-OE2 2.94Å; Q44-E52 PolarHBondContact O-N 2.88Å; Q44-S53 PolarHBondContact N-O 3.47Å; Q44-S53 PolarHBondContact O-N 2.97Å; Q44-Y112 PolarHBondContact NE2-O 3.12Å; Q44-Y112 PolarHBondContact OE1-O 3.44Å; Q44-V114 HydrophobicContact CB-CB 4.08Å; Q44-V114 HydrophobicContact CB-CG1 3.64Å |
| 45 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 146.4 | 179.8 | -45.5 | 178.8 | 0 | 0 | 0 | 110.5 | F13 R33 V34 V36 L49 R50 L51 | F13-L45 HydrophobicContact CB-CD1 3.95Å; F13-L45 HydrophobicContact CD1-CD1 3.85Å; F13-L45 HydrophobicContact CD1-CD2 4.46Å; F13-L45 HydrophobicContact CD2-CD1 4.2Å; F13-L45 HydrophobicContact CD2-CD2 3.71Å; F13-L45 HydrophobicContact CE1-CD1 4.39Å; F13-L45 HydrophobicContact CE1-CD2 4.45Å; F13-L45 HydrophobicContact CE2-CD2 3.7Å; F13-L45 HydrophobicContact CG-CD1 3.73Å; F13-L45 HydrophobicContact CG-CD2 4.11Å; F13-L45 HydrophobicContact CZ-CD2 4.08Å; R33-L45 WeakPolarHBondContact CA-O 3.41Å; V34-L45 HydrophobicContact CB-CB 4.3Å; V34-L45 PolarHBondContact N-O 3.27Å; V34-L45 WeakPolarHBondContact O-CA 3.37Å; V34-L45 WeakPolarHBondContact O-CB 3.39Å; V34-L45 PolarHBondContact O-N 3.09Å; V36-L45 HydrophobicContact CG2-CD1 3.73Å; V36-L45 HydrophobicContact CG2-CG 4.35Å; L45-L49 HydrophobicContact CD1-CD2 3.86Å; L45-R50 CarbonylContact C-O 3.53Å; L45-R50 VanDerWaalsContact CA-O 3.24Å; L45-R50 WeakPolarHBondContact CA-O 3.38Å; L45-L51 HydrophobicContact CD2-CB 4.19Å; L45-L51 HydrophobicContact CD2-CD1 3.75Å |
| 46 | S | 93.8 | Very high | 90.7 | Very high | 12 Ų | 12 | 35.8 Ų | 35.8 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | trans | -66 | 166.9 | 169.9 | 88.1 | 0 | 0 | 0 | 0 | 111.3 | D48 L49 R50 E52 | S46-D48 PolarHBondContact O-N 3Å; S46-D48 PolarHBondContact OG-N 3.25Å; S46-L49 WeakPolarHBondContact O-CA 3.32Å; S46-L49 PolarHBondContact O-N 3.41Å; S46-R50 PolarHBondContact N-O 2.8Å; S46-R50 WeakPolarHBondContact OG-CB 3.2Å; S46-R50 PolarHBondContact OG-N 2.97Å; S46-E52 WeakPolarHBondContact CA-OE1 3.31Å; S46-E52 WeakPolarHBondContact CB-OE1 3.2Å | ||
| 47 | P | 92.6 | Very high | 89.9 | Confident | 48 Ų | 48 | 36 Ų | 36 | 31% | 0.312 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -15.6 | 172.5 | -22.7 | 31.7 | 0 | 0 | 0 | 114.5 | Y452 K470 | P47-Y452 PolarHBondContact O-OH 3.3Å; P47-K470 WeakPolarHBondContact O-CD 3.45Å; P47-K470 PolarHBondContact O-NZ 3.06Å |
| 48 | D | 91 | Very high | 88.7 | Confident | 74 Ų | 74 | 36.8 Ų | 36.8 | 40% | 0.396 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.3 | 27.6 | 173.4 | -64 | -39.9 | 0 | 0 | 0 | 112.1 | R11 S46 R50 K470 | R11-D48 WeakPolarHBondContact CD-O 3.15Å; R11-D48 VanDerWaalsContact CG-O 3.29Å; R11-D48 WeakPolarHBondContact CG-O 3.22Å; R11-D48 PolarHBondContact NH1-O 3.11Å; S46-D48 PolarHBondContact O-N 3Å; S46-D48 PolarHBondContact OG-N 3.25Å; D48-R50 PolarHBondContact O-N 3.49Å; D48-R50 VanDerWaalsContact O-N 3.1Å; D48-K470 IonicContact OD1-NZ 3.09Å; D48-K470 PolarHBondContact OD1-NZ 3.42Å |
| 49 | L | 92.2 | Very high | 87.1 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | trans | 52.7 | 31.4 | 178.3 | -56.1 | 180 | 0 | 0 | 0 | 114.3 | R11 F13 V34 L45 S46 Y452 V468 K470 | R11-L49 HydrophobicContact CB-CD1 4.47Å; R11-L49 HydrophobicContact CG-CB 4.22Å; F13-L49 HydrophobicContact CB-CB 3.98Å; V34-L49 HydrophobicContact CB-CD2 4.27Å; V34-L49 HydrophobicContact CG1-CD2 4.33Å; V34-L49 HydrophobicContact CG2-CD2 4.1Å; L45-L49 HydrophobicContact CD1-CD2 3.86Å; S46-L49 WeakPolarHBondContact O-CA 3.32Å; S46-L49 PolarHBondContact O-N 3.41Å; L49-Y452 HydrophobicContact CD1-CD1 4.28Å; L49-Y452 HydrophobicContact CD1-CE1 4.5Å; L49-Y452 HydrophobicContact CD2-CD1 3.81Å; L49-Y452 HydrophobicContact CD2-CE1 3.79Å; L49-Y452 HydrophobicContact CG-CD1 4.25Å; L49-Y452 HydrophobicContact CG-CE1 4.07Å; L49-V468 HydrophobicContact CD1-CB 4.5Å; L49-V468 HydrophobicContact CD1-CG1 4.03Å; L49-V468 WeakPolarHBondContact CD1-O 3.17Å; L49-V468 HydrophobicContact CD2-CG1 3.99Å; L49-K470 HydrophobicContact CD1-CB 3.7Å; L49-K470 HydrophobicContact CG-CB 4.21Å | ||
| 50 | R | 92.9 | Very high | 85.7 | Confident | 152 Ų | 152 | 43.8 Ų | 43.8 | 57% | 0.574 | 23% | 0.228 | S | C | * | . | trans | -82.9 | 131.3 | 168.6 | -56.5 | -176.1 | -173 | -148.6 | -3.9 | 108.3 | R11 L45 S46 D48 E52 | R11-R50 VanDerWaalsContact NH1-NE 3.12Å; L45-R50 CarbonylContact C-O 3.53Å; L45-R50 VanDerWaalsContact CA-O 3.24Å; L45-R50 WeakPolarHBondContact CA-O 3.38Å; S46-R50 PolarHBondContact N-O 2.8Å; S46-R50 WeakPolarHBondContact OG-CB 3.2Å; S46-R50 PolarHBondContact OG-N 2.97Å; D48-R50 PolarHBondContact O-N 3.49Å; D48-R50 VanDerWaalsContact O-N 3.1Å; R50-E52 PolarHBondContact O-N 3.31Å | ||
| 51 | L | 92.1 | Very high | 84.1 | Confident | 83 Ų | 83 | 46.4 Ų | 46.4 | 44% | 0.435 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 118 | 172.7 | -176.5 | 63.6 | 0 | 0 | 0 | 110 | F13 Y43 L45 S53 Q54 | F13-L51 HydrophobicContact CE2-CB 4.36Å; F13-L51 HydrophobicContact CE2-CD1 4.46Å; Y43-L51 HydrophobicContact CD1-CD1 3.84Å; Y43-L51 HydrophobicContact CG-CD1 4.37Å; L45-L51 HydrophobicContact CD2-CB 4.19Å; L45-L51 HydrophobicContact CD2-CD1 3.75Å; L51-S53 VanDerWaalsContact CD1-O 3.3Å; L51-S53 WeakPolarHBondContact CD1-O 3.28Å; L51-Q54 HydrophobicContact CD1-CB 4.49Å |
| 52 | E | 92.9 | Very high | 82.3 | Confident | 88 Ų | 88 | 44.8 Ų | 44.8 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -44 | 175.9 | -64.6 | -174.8 | 168.9 | 0 | 0 | 111.2 | R33 Q44 S46 R50 | R33-E52 WeakPolarHBondContact CD-OE2 3.21Å; R33-E52 IonicContact CZ-OE2 2.66Å; R33-E52 IonicContact NE-OE2 3.06Å; R33-E52 PolarHBondContact NE-OE2 2.88Å; R33-E52 IonicContact NH2-OE2 2.68Å; Q44-E52 HydrophobicContact CG-CB 4.2Å; Q44-E52 PolarHBondContact NE2-OE2 2.94Å; Q44-E52 PolarHBondContact O-N 2.88Å; S46-E52 WeakPolarHBondContact CA-OE1 3.31Å; S46-E52 WeakPolarHBondContact CB-OE1 3.2Å; R50-E52 PolarHBondContact O-N 3.31Å |
| 53 | S | 92.6 | Very high | 80.1 | Confident | 19 Ų | 19 | 45.7 Ų | 45.7 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 161.9 | -179.2 | -174.8 | 0 | 0 | 0 | 0 | 110.9 | Q44 L51 N113 | Q44-S53 PolarHBondContact N-O 3.47Å; Q44-S53 PolarHBondContact O-N 2.97Å; L51-S53 VanDerWaalsContact CD1-O 3.3Å; L51-S53 WeakPolarHBondContact CD1-O 3.28Å; S53-N113 PolarHBondContact OG-OD1 2.93Å |
| 54 | Q | 91.5 | Very high | 77.9 | Confident | 77 Ų | 77 | 53 Ų | 53 | 36% | 0.36 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 150.8 | 174.9 | 66.1 | 177.9 | 2.2 | 0 | 0 | 111.1 | V42 Y43 L51 S115 | V42-Q54 CarbonylContact O-C 3.52Å; V42-Q54 VanDerWaalsContact O-CA 3.29Å; V42-Q54 WeakPolarHBondContact O-CA 3.42Å; Y43-Q54 HydrophobicContact CD1-CB 3.86Å; Y43-Q54 HydrophobicContact CE1-CB 4.31Å; L51-Q54 HydrophobicContact CD1-CB 4.49Å; Q54-S115 WeakPolarHBondContact O-CB 3.45Å |
| 55 | A | 88.6 | Confident | 75.8 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 7% | 0.074 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 143.9 | 173 | 0 | 0 | 0 | 0 | 0 | 110.4 | R41 V42 V114 | R41-A55 CarbonylContact C-O 3.46Å; R41-A55 VanDerWaalsContact CA-O 3.3Å; R41-A55 WeakPolarHBondContact CA-O 3.48Å; V42-A55 PolarHBondContact N-O 3.46Å; V42-A55 PolarHBondContact O-N 3.18Å; A55-V114 HydrophobicContact CB-CG1 4.44Å; A55-V114 HydrophobicContact CB-CG2 4.39Å; A55-V114 WeakPolarHBondContact CB-O 3.45Å |
| 56 | N | 85.4 | Confident | 73.8 | Confident | 90 Ų | 90 | 60.1 Ų | 60.1 | 48% | 0.481 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 123.1 | 170.7 | -68.7 | -38.2 | 0 | 0 | 0 | 108.6 | N40 R41 A58 | N40-N56 WeakPolarHBondContact O-CA 3.48Å; R41-N56 PolarHBondContact NE-OD1 3.02Å; N56-A58 WeakPolarHBondContact CB-O 3.49Å |
| 57 | T | 76.7 | Confident | 71.8 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | trans | -83.3 | -38.2 | 175.8 | 40.5 | 0 | 0 | 0 | 0 | 111.7 | N40 R41 V42 S82 V98 D100 R107 | N40-T57 VanDerWaalsContact CA-OG1 3.27Å; N40-T57 WeakPolarHBondContact CA-OG1 3.37Å; N40-T57 PolarHBondContact O-N 3.3Å; N40-T57 PolarHBondContact O-OG1 2.92Å; R41-T57 PolarHBondContact N-OG1 2.93Å; R41-T57 VanDerWaalsContact N-OG1 3.14Å; V42-T57 HydrophobicContact CG2-CG2 3.94Å; T57-S82 PolarHBondContact OG1-OG 2.96Å; T57-V98 HydrophobicContact CG2-CG1 3.91Å; T57-D100 WeakPolarHBondContact CB-OD2 3.31Å; T57-D100 WeakPolarHBondContact CG2-OD2 3.31Å; T57-R107 VanDerWaalsContact O-CZ 3.3Å; T57-R107 PolarHBondContact O-NH1 2.93Å; T57-R107 PolarHBondContact O-NH2 3.5Å | ||
| 58 | A | 63.6 | Low | 69.6 | Low | 17 Ų | 17 | 66.5 Ų | 66.5 | 14% | 0.14 | 36% | 0.364 | C | S | . | . | trans | -102.5 | 146.7 | 162 | 0 | 0 | 0 | 0 | 0 | 109.9 | N40 N56 | N40-A58 HydrophobicContact CB-CB 4.06Å; N40-A58 VanDerWaalsContact OD1-CB 3.24Å; N40-A58 WeakPolarHBondContact OD1-CB 3.22Å; N56-A58 WeakPolarHBondContact CB-O 3.49Å | ||
| 59 | P | 52.8 | Low | 67.4 | Low | 89 Ų | 89 | 71.4 Ų | 71.4 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | cis | -135.5 | 134.6 | 34.5 | 36.1 | -17.2 | 0 | 0 | 0 | 116 | L79 | P59-L79 HydrophobicContact CB-CD2 3.62Å; P59-L79 HydrophobicContact CB-CG 4.39Å | ||
| 60 | T | 53.6 | Low | 64.9 | Low | 67 Ų | 67 | 75.1 Ų | 75.1 | 41% | 0.411 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -125.7 | 140.2 | 152.3 | 40.9 | 0 | 0 | 0 | 0 | 108.3 | D62 | T60-D62 PolarHBondContact O-N 2.98Š|
| 61 | P | 51.4 | Low | 62.6 | Low | 69 Ų | 69 | 71.7 Ų | 71.7 | 45% | 0.448 | 41% | 0.407 | S | S | . | . | trans | -62.2 | 123.5 | 177.6 | -20.4 | 32.9 | 0 | 0 | 0 | 110.4 | Q77 | P61-Q77 HydrophobicContact CB-CB 3.58Å; P61-Q77 HydrophobicContact CB-CG 3.96Å; P61-Q77 WeakPolarHBondContact O-CG 3.25Å; P61-Q77 PolarHBondContact O-NE2 3.37Å | ||
| 62 | D | 49.7 | Very low | 60.3 | Low | 30 Ų | 30 | 70 Ų | 70 | 16% | 0.16 | 41% | 0.409 | C | S | . | . | B | Isolated β-bridge | trans | -147.1 | 166.2 | -172.3 | -154 | -8.3 | 0 | 0 | 0 | 111.1 | T60 Q77 K78 P80 | T60-D62 PolarHBondContact O-N 2.98Å; D62-Q77 WeakPolarHBondContact O-CA 3.33Å; D62-K78 PolarHBondContact N-O 2.87Å; D62-K78 CarbonylContact O-C 3.02Å; D62-K78 PolarHBondContact O-N 2.81Å; D62-P80 HydrophobicContact CB-CG 4.24Å |
| 63 | S | 46 | Very low | 58.2 | Low | 19 Ų | 19 | 73.8 Ų | 73.8 | 13% | 0.133 | 43% | 0.431 | C | S | . | . | trans | -142.2 | 145.5 | -176 | -159.6 | 0 | 0 | 0 | 0 | 112.7 | V65 C66 C74 N76 | S63-V65 PolarHBondContact O-N 3.38Å; S63-C66 PolarHBondContact O-N 2.9Å; S63-C74 WeakPolarHBondContact CB-SG 3.44Å; S63-N76 WeakPolarHBondContact CB-O 3.32Å; S63-N76 PolarHBondContact OG-O 2.68Å | ||
| 64 | Q | 45.9 | Very low | 56.4 | Low | 155 Ų | 155 | 74 Ų | 74 | 72% | 0.724 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -20.1 | 173 | -70.6 | 175.2 | -50.7 | 0 | 0 | 113.4 | ||
| 65 | V | 52.1 | Low | 54.3 | Low | 123 Ų | 123 | 75.8 Ų | 75.8 | 75% | 0.745 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | -11.3 | 179.7 | -167.4 | 0 | 0 | 0 | 0 | 112 | S63 T67 | S63-V65 PolarHBondContact O-N 3.38Å; V65-T67 PolarHBondContact O-N 2.83Å |
| 66 | C | 52.5 | Low | 52.4 | Low | 32 Ų | 32 | 81.9 Ų | 81.9 | 22% | 0.216 | 48% | 0.48 | C | S | . | . | trans | -98.2 | 70.4 | -171.4 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | S63 V68 C74 | S63-C66 PolarHBondContact O-N 2.9Å; C66-V68 PolarHBondContact O-N 3.43Å; C66-C74 HydrophobicContact CB-CB 4.03Å; C66-C74 WeakPolarHBondContact CB-SG 3.46Å; C66-C74 VanDerWaalsContact SG-CA 3.59Å; C66-C74 WeakPolarHBondContact SG-CB 3.42Å; C66-C74 CovalentContact SG-SG 2.04Å; C66-C74 PolarHBondContact SG-SG 3.06Å | ||
| 67 | T | 51.4 | Low | 50.7 | Low | 109 Ų | 109 | 82.5 Ų | 82.5 | 67% | 0.669 | 48% | 0.48 | S | S | * | . | trans | -60.9 | 131.6 | 168.4 | 53.1 | 0 | 0 | 0 | 0 | 110.5 | V65 R69 | V65-T67 PolarHBondContact O-N 2.83Å; T67-R69 PolarHBondContact O-N 3.05Å | ||
| 68 | V | 47.7 | Very low | 49.6 | Very low | 84 Ų | 84 | 90.2 Ų | 90.2 | 51% | 0.509 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -68.2 | 90.4 | -174.6 | 175 | 0 | 0 | 0 | 0 | 111.6 | C66 P103 | C66-V68 PolarHBondContact O-N 3.43Å; V68-P103 HydrophobicContact CG2-CB 3.45Å; V68-P103 VanDerWaalsContact CG2-CB 3.45Å |
| 69 | R | 44.1 | Very low | 49.3 | Very low | 177 Ų | 177 | 95 Ų | 95 | 67% | 0.668 | 54% | 0.536 | S | S | * | . | trans | -140 | 108.6 | 155.9 | -69.5 | -167.5 | 176.1 | 159.1 | 5.5 | 109.1 | T67 E159 | T67-R69 PolarHBondContact O-N 3.05Å; R69-E159 IonicContact CZ-OE1 2.62Å; R69-E159 IonicContact NH2-OE1 3.18Å; R69-E159 PolarHBondContact NH2-OE1 2.56Å; R69-E159 IonicContact NH2-OE2 3.15Å; R69-E159 PolarHBondContact NH2-OE2 3.32Å | ||
| 70 | Q | 40.5 | Very low | 49.8 | Very low | 84 Ų | 84 | 93 Ų | 93 | 39% | 0.393 | 52% | 0.523 | S | S | . | . | S | Bend | trans | 53.9 | 104.5 | 161.6 | -52.8 | 175.7 | -8.7 | 0 | 0 | 118.4 | G72 E1677 F1790 | Q70-G72 VanDerWaalsContact C-N 3.27Å; Q70-G72 PolarHBondContact O-N 3.23Å; Q70-E1677 PolarHBondContact NE2-OE2 3.49Å; Q70-E1677 PolarHBondContact OE1-OE1 2.02Å; Q70-E1677 PolarHBondContact OE1-OE2 3Å; Q70-F1790 HydrophobicContact CB-CE1 4.25Å; Q70-F1790 HydrophobicContact CB-CE2 4.34Å; Q70-F1790 HydrophobicContact CB-CZ 3.98Å; Q70-F1790 HydrophobicContact CG-CE1 3.86Å; Q70-F1790 HydrophobicContact CG-CE2 4.29Å; Q70-F1790 HydrophobicContact CG-CZ 3.52Å |
| 71 | G | 42.9 | Very low | 50.7 | Low | 81 Ų | 81 | 93.5 Ų | 93.5 | 84% | 0.835 | 52% | 0.523 | S | S | * | . | S | Bend | trans | 63.5 | -8.9 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||
| 72 | G | 45.1 | Very low | 52.1 | Low | 46 Ų | 46 | 90.2 Ų | 90.2 | 47% | 0.474 | 50% | 0.501 | S | S | . | . | trans | -74 | 139.9 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q70 C74 | Q70-G72 VanDerWaalsContact C-N 3.27Å; Q70-G72 PolarHBondContact O-N 3.23Å; G72-C74 PolarHBondContact O-N 3.29Å | ||
| 73 | L | 49 | Very low | 53.6 | Low | 168 Ų | 168 | 92.3 Ų | 92.3 | 88% | 0.88 | 51% | 0.51 | S | S | * | . | trans | -63.7 | 105.1 | 167.2 | -86.7 | 99.9 | 0 | 0 | 0 | 110.2 | V75 | L73-V75 PolarHBondContact O-N 2.92Å; L73-V75 VanDerWaalsContact O-N 3.13Å | ||
| 74 | C | 53.4 | Low | 55.6 | Low | 24 Ų | 24 | 91.5 Ų | 91.5 | 16% | 0.162 | 50% | 0.504 | C | S | . | . | trans | -63.1 | 108.4 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 110.4 | S63 C66 G72 Q77 | S63-C74 WeakPolarHBondContact CB-SG 3.44Å; C66-C74 HydrophobicContact CB-CB 4.03Å; C66-C74 WeakPolarHBondContact CB-SG 3.46Å; C66-C74 VanDerWaalsContact SG-CA 3.59Å; C66-C74 WeakPolarHBondContact SG-CB 3.42Å; C66-C74 CovalentContact SG-SG 2.04Å; C66-C74 PolarHBondContact SG-SG 3.06Å; G72-C74 PolarHBondContact O-N 3.29Å; C74-Q77 HydrophobicContact CB-CG 3.88Å; C74-Q77 WeakPolarHBondContact O-CG 3Å | ||
| 75 | V | 48.7 | Very low | 57.5 | Low | 115 Ų | 115 | 84.9 Ų | 84.9 | 70% | 0.697 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 138.8 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | L73 | L73-V75 PolarHBondContact O-N 2.92Å; L73-V75 VanDerWaalsContact O-N 3.13Å |
| 76 | N | 48.8 | Very low | 59.3 | Low | 136 Ų | 136 | 79.1 Ų | 79.1 | 73% | 0.727 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.7 | 45.6 | -168.9 | -54.5 | -36.6 | 0 | 0 | 0 | 114.6 | S63 K78 | S63-N76 WeakPolarHBondContact CB-O 3.32Å; S63-N76 PolarHBondContact OG-O 2.68Å; N76-K78 PolarHBondContact O-N 2.84Å |
| 77 | Q | 49.8 | Very low | 61.3 | Low | 103 Ų | 103 | 78.2 Ų | 78.2 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | trans | -61.9 | 124.7 | 161.6 | -70.9 | 165.7 | -31.5 | 0 | 0 | 110.5 | P61 D62 C74 | P61-Q77 HydrophobicContact CB-CB 3.58Å; P61-Q77 HydrophobicContact CB-CG 3.96Å; P61-Q77 WeakPolarHBondContact O-CG 3.25Å; P61-Q77 PolarHBondContact O-NE2 3.37Å; D62-Q77 WeakPolarHBondContact O-CA 3.33Å; C74-Q77 HydrophobicContact CB-CG 3.88Å; C74-Q77 WeakPolarHBondContact O-CG 3Å | ||
| 78 | K | 52.2 | Low | 63.3 | Low | 167 Ų | 167 | 73.8 Ų | 73.8 | 73% | 0.726 | 40% | 0.404 | S | S | * | . | B | Isolated β-bridge | trans | -101.8 | -178.4 | 158 | -75 | -177.3 | 175.5 | 178.3 | 0 | 107.8 | D62 N76 P80 | D62-K78 PolarHBondContact N-O 2.87Å; D62-K78 CarbonylContact O-C 3.02Å; D62-K78 PolarHBondContact O-N 2.81Å; N76-K78 PolarHBondContact O-N 2.84Å; K78-P80 VanDerWaalsContact C-CD 3.48Å; K78-P80 VanDerWaalsContact O-CD 3.23Å; K78-P80 WeakPolarHBondContact O-CD 3.41Å |
| 79 | L | 57 | Low | 65.4 | Low | 118 Ų | 118 | 70.5 Ų | 70.5 | 62% | 0.618 | 38% | 0.383 | S | S | * | . | trans | -102 | 91.6 | 161.1 | -81.3 | 74.4 | 0 | 0 | 0 | 106.5 | P59 | P59-L79 HydrophobicContact CB-CD2 3.62Å; P59-L79 HydrophobicContact CB-CG 4.39Å | ||
| 80 | P | 65.1 | Low | 67.6 | Low | 46 Ų | 46 | 62.7 Ų | 62.7 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | trans | -67.6 | 137.8 | 169.6 | 29.2 | -33.4 | 0 | 0 | 0 | 109.6 | D62 K78 S82 L102 | D62-P80 HydrophobicContact CB-CG 4.24Å; K78-P80 VanDerWaalsContact C-CD 3.48Å; K78-P80 VanDerWaalsContact O-CD 3.23Å; K78-P80 WeakPolarHBondContact O-CD 3.41Å; P80-S82 PolarHBondContact O-N 2.95Å; P80-L102 HydrophobicContact CB-CD2 4.09Å; P80-L102 HydrophobicContact CG-CD2 3.78Å | ||
| 81 | D | 72.4 | Confident | 69.9 | Low | 77 Ų | 77 | 61.7 Ų | 61.7 | 41% | 0.412 | 35% | 0.349 | S | S | . | . | trans | -67.1 | 125.6 | 173.2 | -80.1 | -26.4 | 0 | 0 | 0 | 110.1 | Y19 V39 N40 Q83 | Y19-D81 WeakPolarHBondContact CE1-OD1 3.18Å; Y19-D81 WeakPolarHBondContact CE1-OD2 3.32Å; V39-D81 HydrophobicContact CG1-CB 3.72Å; N40-D81 PolarHBondContact ND2-OD1 3.42Å; N40-D81 WeakPolarHBondContact OD1-CA 3.34Å; D81-Q83 PolarHBondContact O-N 3.17Å | ||
| 82 | S | 79.2 | Confident | 71.9 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -78.1 | 110.7 | 177.6 | 66.2 | 0 | 0 | 0 | 0 | 109.8 | V39 N40 T57 P80 | V39-S82 WeakPolarHBondContact CA-O 3.41Å; N40-S82 WeakPolarHBondContact CA-OG 3.38Å; N40-S82 PolarHBondContact N-O 3.38Å; N40-S82 VanDerWaalsContact N-O 3.11Å; N40-S82 PolarHBondContact N-OG 2.79Å; N40-S82 PolarHBondContact OD1-N 2.96Å; N40-S82 PolarHBondContact OD1-OG 3.16Å; T57-S82 PolarHBondContact OG1-OG 2.96Å; P80-S82 PolarHBondContact O-N 2.95Å | ||
| 83 | Q | 81.7 | Confident | 73.7 | Confident | 75 Ų | 75 | 65.6 Ų | 65.6 | 35% | 0.35 | 33% | 0.33 | S | S | . | . | trans | -87.9 | 125.8 | 172.5 | -59.9 | -168.1 | 15.8 | 0 | 0 | 110.1 | V39 D81 R85 D100 N101 | V39-Q83 HydrophobicContact CG2-CG 4.17Å; D81-Q83 PolarHBondContact O-N 3.17Å; Q83-R85 PolarHBondContact O-N 3.21Å; Q83-R85 VanDerWaalsContact OE1-NH1 3.13Å; Q83-R85 VanDerWaalsContact OE1-NH2 3.12Å; Q83-D100 CarbonylContact O-C 3.59Å; Q83-D100 WeakPolarHBondContact O-CA 3.42Å; Q83-D100 WeakPolarHBondContact O-CB 3.28Å; Q83-N101 HydrophobicContact CB-CB 4.48Å; Q83-N101 PolarHBondContact N-OD1 2.82Å; Q83-N101 PolarHBondContact O-N 2.93Å; Q83-N101 PolarHBondContact O-OD1 3.42Å | ||
| 84 | N | 87.2 | Confident | 75.6 | Confident | 1 Ų | 1 | 59.8 Ų | 59.8 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.3 | 130.4 | 175.8 | -175 | -99.3 | 0 | 0 | 0 | 111 | Q22 R23 A37 A86 C99 D100 | Q22-N84 HydrophobicContact CB-CB 4.42Å; R23-N84 WeakPolarHBondContact CD-OD1 3.4Å; R23-N84 PolarHBondContact NH1-O 3.01Å; R23-N84 PolarHBondContact NH1-OD1 3.07Å; A37-N84 HydrophobicContact CB-CB 4.05Å; N84-A86 PolarHBondContact ND2-O 3.47Å; N84-A86 PolarHBondContact OD1-O 2.99Å; N84-C99 CarbonylContact C-O 3.59Å; N84-C99 PolarHBondContact ND2-O 3.08Å; N84-D100 WeakPolarHBondContact CA-OD1 3.5Å; N84-D100 PolarHBondContact ND2-OD1 3.48Å |
| 85 | R | 87.5 | Confident | 77.3 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 6% | 0.064 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | -19.3 | 177.4 | -60.7 | -56.9 | -171.8 | -148.4 | -4.5 | 113.8 | R23 Q83 C99 N101 F126 S130 S133 | R23-R85 PolarHBondContact NH1-O 3.42Å; R23-R85 PolarHBondContact NH2-O 3.27Å; Q83-R85 PolarHBondContact O-N 3.21Å; Q83-R85 VanDerWaalsContact OE1-NH1 3.13Å; Q83-R85 VanDerWaalsContact OE1-NH2 3.12Å; R85-C99 WeakPolarHBondContact CA-O 3.39Å; R85-C99 PolarHBondContact N-O 3.04Å; R85-N101 HydrophobicContact CG-CB 3.76Å; R85-F126 HydrophobicContact CB-CB 3.74Å; R85-F126 HydrophobicContact CB-CD1 3.86Å; R85-F126 HydrophobicContact CB-CD2 3.72Å; R85-F126 HydrophobicContact CB-CE1 4.44Å; R85-F126 HydrophobicContact CB-CE2 4.32Å; R85-F126 HydrophobicContact CB-CG 3.47Å; R85-F126 VanDerWaalsContact CB-CG 3.47Å; R85-F126 HydrophobicContact CG-CB 3.9Å; R85-F126 HydrophobicContact CG-CG 4.2Å; R85-S130 WeakPolarHBondContact CD-OG 3.49Å; R85-S130 PolarHBondContact NE-OG 3.35Å; R85-S130 PolarHBondContact NH1-O 2.88Å; R85-S130 PolarHBondContact NH2-O 3.46Å; R85-S133 WeakPolarHBondContact CA-OG 3.22Å; R85-S133 WeakPolarHBondContact CD-OG 3.4Å; R85-S133 WeakPolarHBondContact O-CB 3.31Å; R85-S133 PolarHBondContact O-OG 3.08Å |
| 86 | A | 90.1 | Very high | 79.4 | Confident | 1 Ų | 1 | 54.4 Ų | 54.4 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 150.5 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | N84 V88 C99 F126 A135 F147 | N84-A86 PolarHBondContact ND2-O 3.47Å; N84-A86 PolarHBondContact OD1-O 2.99Å; A86-V88 HydrophobicContact CB-CG2 4.31Å; A86-C99 HydrophobicContact CB-CB 3.87Å; A86-C99 PolarHBondContact N-O 3.08Å; A86-C99 PolarHBondContact O-N 3.02Å; A86-F126 HydrophobicContact CB-CE2 3.87Å; A86-F126 HydrophobicContact CB-CZ 3.76Å; A86-A135 HydrophobicContact CB-CB 3.94Å; A86-F147 HydrophobicContact CB-CZ 4.01Å |
| 87 | L | 93.1 | Very high | 81.4 | Confident | 13 Ų | 13 | 47.9 Ų | 47.9 | 7% | 0.068 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 100.7 | 171.8 | -176.5 | 68.1 | 0 | 0 | 0 | 107.8 | R23 V25 A37 V42 L96 I97 V98 | R23-L87 HydrophobicContact CB-CB 3.85Å; R23-L87 HydrophobicContact CB-CD2 3.97Å; V25-L87 HydrophobicContact CB-CD2 4.48Å; V25-L87 HydrophobicContact CG1-CD2 3.87Å; V25-L87 HydrophobicContact CG1-CG 3.82Å; A37-L87 HydrophobicContact CB-CB 4.38Å; A37-L87 HydrophobicContact CB-CD1 4.04Å; A37-L87 HydrophobicContact CB-CD2 3.8Å; A37-L87 HydrophobicContact CB-CG 4.29Å; V42-L87 HydrophobicContact CG1-CD1 4.37Å; L87-L96 HydrophobicContact CD1-CD1 3.88Å; L87-L96 HydrophobicContact CD1-CD2 3.96Å; L87-L96 HydrophobicContact CD1-CG 4.02Å; L87-L96 HydrophobicContact CG-CD1 4.38Å; L87-I97 WeakPolarHBondContact CA-O 3.31Å; L87-V98 HydrophobicContact CD1-CG2 3.97Å |
| 88 | V | 93.2 | Very high | 83.3 | Confident | 17 Ų | 17 | 43 Ų | 43 | 10% | 0.103 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 133.6 | -168.8 | -170.5 | 0 | 0 | 0 | 0 | 110.6 | A86 I97 A135 V137 F147 | A86-V88 HydrophobicContact CB-CG2 4.31Å; V88-I97 HydrophobicContact CB-CB 4.44Å; V88-I97 PolarHBondContact N-O 3.31Å; V88-I97 PolarHBondContact O-N 3.4Å; V88-A135 HydrophobicContact CG2-CB 4.36Å; V88-A135 WeakPolarHBondContact CG2-O 3.43Å; V88-V137 HydrophobicContact CG1-CB 4.5Å; V88-V137 HydrophobicContact CG1-CG2 3.86Å; V88-F147 HydrophobicContact CB-CE2 4.26Å; V88-F147 HydrophobicContact CG2-CE2 3.92Å |
| 89 | I | 92.6 | Very high | 85.1 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 8% | 0.077 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 126.7 | 176.5 | -59.1 | 173.7 | 0 | 0 | 0 | 109.2 | V25 E27 Y35 H91 L96 L111 | V25-I89 HydrophobicContact CG1-CD1 4.06Å; V25-I89 HydrophobicContact CG1-CG1 3.92Å; V25-I89 HydrophobicContact CG2-CD1 3.83Å; V25-I89 HydrophobicContact CG2-CG1 3.99Å; E27-I89 HydrophobicContact CB-CD1 3.84Å; E27-I89 HydrophobicContact CG-CD1 4.32Å; Y35-I89 HydrophobicContact CD2-CD1 4.2Å; Y35-I89 HydrophobicContact CE2-CD1 4.21Å; I89-H91 VanDerWaalsContact CG2-CE1 3.45Å; I89-H91 WeakPolarHBondContact CG2-CE1 3.35Å; I89-H91 WeakPolarHBondContact CG2-ND1 3.27Å; I89-L96 HydrophobicContact CG1-CD1 3.92Å; I89-L111 HydrophobicContact CG1-CD2 4.37Å; I89-L111 HydrophobicContact CG2-CD1 3.73Å; I89-L111 HydrophobicContact CG2-CD2 4.04Å |
| 90 | Y | 90.5 | Very high | 86.3 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 5% | 0.047 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 89.5 | 170.9 | -176.7 | -153.1 | 0 | 0 | 0 | 109.9 | K92 K93 T94 K95 V137 E145 L168 | Y90-K92 HydrophobicContact CD2-CB 4.43Å; Y90-K92 HydrophobicContact CE2-CB 3.83Å; Y90-K92 PolarHBondContact O-N 2.9Å; Y90-K93 HydrophobicContact CD1-CB 3.94Å; Y90-K93 HydrophobicContact CD1-CD 4.4Å; Y90-K93 HydrophobicContact CD1-CG 4.16Å; Y90-K93 HydrophobicContact CE1-CB 3.92Å; Y90-K93 HydrophobicContact CE1-CD 3.8Å; Y90-K93 HydrophobicContact CE1-CG 3.6Å; Y90-K93 PolarHBondContact O-N 3.23Å; Y90-T94 PolarHBondContact O-N 3.46Å; Y90-K95 PolarHBondContact N-O 3.04Å; Y90-K95 PolarHBondContact O-N 3.45Å; Y90-K95 VanDerWaalsContact O-N 3.15Å; Y90-V137 HydrophobicContact CD2-CG1 4.17Å; Y90-V137 HydrophobicContact CE2-CG1 4.46Å; Y90-E145 HydrophobicContact CE2-CB 4.32Å; Y90-L168 HydrophobicContact CD1-CD1 4.48Å; Y90-L168 HydrophobicContact CD2-CD1 4.14Å; Y90-L168 HydrophobicContact CE1-CB 4.01Å; Y90-L168 HydrophobicContact CE1-CD1 4.33Å; Y90-L168 HydrophobicContact CE2-CD1 4.03Å; Y90-L168 HydrophobicContact CG-CD1 4.39Å |
| 91 | H | 87.6 | Confident | 86.8 | Confident | 64 Ų | 64 | 28.4 Ų | 28.4 | 30% | 0.296 | 14% | 0.136 | S | C | . | . | G | 310 helix | trans | -59.2 | -42.4 | -170.6 | -71.1 | -61.1 | 0 | 0 | 0 | 114 | L29 I89 K93 T94 | L29-H91 HydrophobicContact CD1-CB 4.13Å; I89-H91 VanDerWaalsContact CG2-CE1 3.45Å; I89-H91 WeakPolarHBondContact CG2-CE1 3.35Å; I89-H91 WeakPolarHBondContact CG2-ND1 3.27Å; H91-K93 VanDerWaalsContact C-N 3.25Å; H91-K93 PolarHBondContact O-N 2.73Å; H91-T94 PolarHBondContact O-N 3.25Å |
| 92 | K | 84.9 | Confident | 86.7 | Confident | 148 Ų | 148 | 26 Ų | 26 | 64% | 0.643 | 12% | 0.123 | S | C | * | . | G | 310 helix | trans | -61.6 | -28.7 | -174.1 | -175 | 173.3 | 176.4 | 175.7 | 0 | 114.7 | Y90 E145 | Y90-K92 HydrophobicContact CD2-CB 4.43Å; Y90-K92 HydrophobicContact CE2-CB 3.83Å; Y90-K92 PolarHBondContact O-N 2.9Å; K92-E145 WeakPolarHBondContact CD-OE2 3.34Å; K92-E145 WeakPolarHBondContact CE-OE2 3.47Å; K92-E145 IonicContact NZ-OE2 3.38Å; K92-E145 PolarHBondContact NZ-OE2 3Å |
| 93 | K | 84.2 | Confident | 85.8 | Confident | 61 Ų | 61 | 27.7 Ų | 27.7 | 27% | 0.265 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -105.9 | 3.9 | 174.3 | -71.1 | -157.3 | -177 | -168.6 | 0 | 114.1 | Y90 H91 K95 E170 | Y90-K93 HydrophobicContact CD1-CB 3.94Å; Y90-K93 HydrophobicContact CD1-CD 4.4Å; Y90-K93 HydrophobicContact CD1-CG 4.16Å; Y90-K93 HydrophobicContact CE1-CB 3.92Å; Y90-K93 HydrophobicContact CE1-CD 3.8Å; Y90-K93 HydrophobicContact CE1-CG 3.6Å; Y90-K93 PolarHBondContact O-N 3.23Å; H91-K93 VanDerWaalsContact C-N 3.25Å; H91-K93 PolarHBondContact O-N 2.73Å; K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 HydrophobicContact CB-CG 4.09Å; K93-K95 WeakPolarHBondContact O-CG 3.3Å; K93-K95 PolarHBondContact O-N 2.85Å; K93-E170 VanDerWaalsContact NZ-CD 3.29Å; K93-E170 IonicContact NZ-OE1 3.85Å; K93-E170 PolarHBondContact NZ-OE1 3.16Å |
| 94 | T | 88.6 | Confident | 84.5 | Confident | 45 Ų | 45 | 26 Ų | 26 | 28% | 0.276 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 42.2 | -172.2 | 54.3 | 0 | 0 | 0 | 0 | 113.9 | Y90 H91 L111 Y112 | Y90-T94 PolarHBondContact O-N 3.46Å; H91-T94 PolarHBondContact O-N 3.25Å; T94-L111 WeakPolarHBondContact O-CB 3.47Å; T94-L111 VanDerWaalsContact O-CG 3.28Å; T94-L111 WeakPolarHBondContact O-CG 3.44Å; T94-L111 PolarHBondContact O-N 3Å; T94-Y112 HydrophobicContact CG2-CE2 4.45Å |
| 95 | K | 89.6 | Confident | 83.5 | Confident | 26 Ų | 26 | 26 Ų | 26 | 11% | 0.113 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 156.6 | 178.9 | -58 | -56.9 | 168.4 | -177 | 0 | 113 | Y90 K93 H109 D110 E118 | Y90-K95 PolarHBondContact N-O 3.04Å; Y90-K95 PolarHBondContact O-N 3.45Å; Y90-K95 VanDerWaalsContact O-N 3.15Å; K93-K95 VanDerWaalsContact C-N 3.28Å; K93-K95 HydrophobicContact CB-CG 4.09Å; K93-K95 WeakPolarHBondContact O-CG 3.3Å; K93-K95 PolarHBondContact O-N 2.85Å; K95-H109 CarbonylContact C-O 3.53Å; K95-H109 VanDerWaalsContact CA-O 3.29Å; K95-H109 WeakPolarHBondContact CA-O 3.42Å; K95-H109 WeakPolarHBondContact CB-O 3.21Å; K95-D110 IonicContact NZ-OD2 3.26Å; K95-D110 PolarHBondContact NZ-OD2 2.91Å; K95-E118 WeakPolarHBondContact CE-OE2 3.26Å; K95-E118 IonicContact NZ-OE1 2.68Å; K95-E118 PolarHBondContact NZ-OE1 3.49Å; K95-E118 IonicContact NZ-OE2 3.71Å; K95-E118 PolarHBondContact NZ-OE2 2.92Å |
| 96 | L | 91.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.7 | 172.4 | -177.7 | 72 | 0 | 0 | 0 | 109 | V25 Y35 V42 L87 I89 V98 H109 L111 V114 | V25-L96 HydrophobicContact CG1-CD1 4.14Å; Y35-L96 HydrophobicContact CD1-CD2 3.69Å; Y35-L96 HydrophobicContact CD2-CD1 4.29Å; Y35-L96 HydrophobicContact CE1-CD2 4.39Å; Y35-L96 HydrophobicContact CG-CD1 4.14Å; Y35-L96 HydrophobicContact CG-CD2 3.9Å; V42-L96 HydrophobicContact CG1-CD2 4.23Å; L87-L96 HydrophobicContact CD1-CD1 3.88Å; L87-L96 HydrophobicContact CD1-CD2 3.96Å; L87-L96 HydrophobicContact CD1-CG 4.02Å; L87-L96 HydrophobicContact CG-CD1 4.38Å; I89-L96 HydrophobicContact CG1-CD1 3.92Å; L96-V98 HydrophobicContact CD2-CG2 4.05Å; L96-V98 HydrophobicContact CG-CG2 4.1Å; L96-H109 HydrophobicContact CB-CB 4.27Å; L96-H109 PolarHBondContact N-O 2.73Å; L96-H109 PolarHBondContact O-N 3.2Å; L96-L111 HydrophobicContact CB-CD2 3.81Å; L96-L111 HydrophobicContact CD1-CD2 4.41Å; L96-V114 HydrophobicContact CD2-CG2 3.87Å |
| 97 | I | 91.3 | Very high | 83 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 116.2 | 175.1 | -60.5 | 163 | 0 | 0 | 0 | 107.9 | L87 V88 M108 V137 F147 L168 M174 | L87-I97 WeakPolarHBondContact CA-O 3.31Å; V88-I97 HydrophobicContact CB-CB 4.44Å; V88-I97 PolarHBondContact N-O 3.31Å; V88-I97 PolarHBondContact O-N 3.4Å; I97-M108 HydrophobicContact CD1-CE 4.24Å; I97-M108 HydrophobicContact CG1-CE 4.06Å; I97-M108 HydrophobicContact CG1-CG 4.34Å; I97-V137 HydrophobicContact CD1-CG2 4.04Å; I97-F147 HydrophobicContact CD1-CD2 4.02Å; I97-F147 HydrophobicContact CD1-CE2 4.29Å; I97-F147 HydrophobicContact CG2-CD2 4.48Å; I97-F147 HydrophobicContact CG2-CE2 3.84Å; I97-F147 HydrophobicContact CG2-CZ 4.17Å; I97-L168 HydrophobicContact CD1-CD2 3.92Å; I97-M174 HydrophobicContact CB-CE 4.45Å; I97-M174 HydrophobicContact CD1-CE 3.77Å; I97-M174 HydrophobicContact CG1-CE 4.1Å; I97-M174 HydrophobicContact CG2-CE 3.51Å |
| 98 | V | 90.5 | Very high | 82.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 117.5 | 175.1 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | V42 T57 L87 L96 C106 R107 H109 | V42-V98 HydrophobicContact CG1-CG2 4.48Å; V42-V98 HydrophobicContact CG2-CB 4.5Å; V42-V98 HydrophobicContact CG2-CG1 3.64Å; V42-V98 HydrophobicContact CG2-CG2 4.02Å; T57-V98 HydrophobicContact CG2-CG1 3.91Å; L87-V98 HydrophobicContact CD1-CG2 3.97Å; L96-V98 HydrophobicContact CD2-CG2 4.05Å; L96-V98 HydrophobicContact CG-CG2 4.1Å; V98-C106 CarbonylContact O-C 3.48Å; V98-C106 WeakPolarHBondContact O-CA 3.36Å; V98-R107 PolarHBondContact N-O 3.1Å; V98-R107 PolarHBondContact O-N 3.41Å; V98-H109 VanDerWaalsContact CG2-CD2 3.48Å; V98-H109 WeakPolarHBondContact CG2-CD2 3.46Å |
| 99 | C | 88.6 | Confident | 82.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 139.2 | 174 | -58.6 | 0 | 0 | 0 | 0 | 110.9 | N84 R85 A86 S105 C106 F126 | N84-C99 CarbonylContact C-O 3.59Å; N84-C99 PolarHBondContact ND2-O 3.08Å; R85-C99 WeakPolarHBondContact CA-O 3.39Å; R85-C99 PolarHBondContact N-O 3.04Å; A86-C99 HydrophobicContact CB-CB 3.87Å; A86-C99 PolarHBondContact N-O 3.08Å; A86-C99 PolarHBondContact O-N 3.02Å; C99-S105 CarbonylContact C-O 3.15Å; C99-S105 VanDerWaalsContact CA-O 3.29Å; C99-S105 WeakPolarHBondContact CA-O 3.16Å; C99-C106 HydrophobicContact CB-CB 4.07Å; C99-C106 WeakPolarHBondContact CB-SG 3.42Å; C99-C106 WeakPolarHBondContact SG-CB 3.41Å; C99-C106 CovalentContact SG-SG 2.03Å; C99-C106 PolarHBondContact SG-SG 3.42Å; C99-F126 HydrophobicContact CB-CD2 3.77Å; C99-F126 HydrophobicContact CB-CE2 3.5Å; C99-F126 VanDerWaalsContact CB-CE2 3.5Å |
| 100 | D | 82.2 | Confident | 82.4 | Confident | 5 Ų | 5 | 26.3 Ų | 26.3 | 3% | 0.027 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 178 | 178.7 | -54.4 | -37.5 | 0 | 0 | 0 | 110.9 | T57 Q83 N84 L102 S105 | T57-D100 WeakPolarHBondContact CB-OD2 3.31Å; T57-D100 WeakPolarHBondContact CG2-OD2 3.31Å; Q83-D100 CarbonylContact O-C 3.59Å; Q83-D100 WeakPolarHBondContact O-CA 3.42Å; Q83-D100 WeakPolarHBondContact O-CB 3.28Å; N84-D100 WeakPolarHBondContact CA-OD1 3.5Å; N84-D100 PolarHBondContact ND2-OD1 3.48Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 2.77Å; D100-S105 PolarHBondContact N-O 3.38Å; D100-S105 VanDerWaalsContact O-CB 3.23Å; D100-S105 WeakPolarHBondContact O-CB 3.39Å |
| 101 | N | 75.3 | Confident | 82.3 | Confident | 18 Ų | 18 | 25.8 Ų | 25.8 | 10% | 0.096 | 13% | 0.131 | C | C | . | . | S | Bend | trans | -88.3 | 10.5 | -179.1 | 78.3 | -45.7 | 0 | 0 | 0 | 114.5 | Q83 R85 W128 | Q83-N101 HydrophobicContact CB-CB 4.48Å; Q83-N101 PolarHBondContact N-OD1 2.82Å; Q83-N101 PolarHBondContact O-N 2.93Å; Q83-N101 PolarHBondContact O-OD1 3.42Å; R85-N101 HydrophobicContact CG-CB 3.76Å; N101-W128 PolarHBondContact ND2-O 3.39Å; N101-W128 WeakPolarHBondContact O-CA 3.43Å; N101-W128 WeakPolarHBondContact O-CB 3.41Å |
| 102 | L | 71.5 | Confident | 82.4 | Confident | 27 Ų | 27 | 28.7 Ų | 28.7 | 14% | 0.141 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -87.6 | 156.5 | 177.9 | -62.2 | -177.5 | 0 | 0 | 0 | 110.8 | P80 D100 A104 S105 | P80-L102 HydrophobicContact CB-CD2 4.09Å; P80-L102 HydrophobicContact CG-CD2 3.78Å; D100-L102 VanDerWaalsContact C-N 3.31Å; D100-L102 PolarHBondContact O-N 2.77Å; L102-A104 VanDerWaalsContact C-N 3.27Å; L102-A104 PolarHBondContact O-N 2.8Å; L102-A104 VanDerWaalsContact O-N 3.14Å; L102-S105 WeakPolarHBondContact O-CA 3.49Å; L102-S105 VanDerWaalsContact O-CB 3.28Å; L102-S105 WeakPolarHBondContact O-CB 3.27Å; L102-S105 PolarHBondContact O-N 3.16Å; L102-S105 VanDerWaalsContact O-N 3.11Å |
| 103 | P | 59.7 | Low | 82.6 | Confident | 35 Ų | 35 | 24.4 Ų | 24.4 | 23% | 0.227 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -57.6 | -33 | -172.8 | -27.9 | 36.5 | 0 | 0 | 0 | 115.2 | V68 S105 | V68-P103 HydrophobicContact CG2-CB 3.45Å; V68-P103 VanDerWaalsContact CG2-CB 3.45Å; P103-S105 VanDerWaalsContact C-N 3.3Å; P103-S105 PolarHBondContact O-N 2.95Å |
| 104 | A | 55.3 | Low | 82.9 | Confident | 40 Ų | 40 | 21.5 Ų | 21.5 | 33% | 0.331 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -90.9 | 63.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | L102 C106 | L102-A104 VanDerWaalsContact C-N 3.27Å; L102-A104 PolarHBondContact O-N 2.8Å; L102-A104 VanDerWaalsContact O-N 3.14Å; A104-C106 PolarHBondContact O-N 3.35Å |
| 105 | S | 65.4 | Low | 82.8 | Confident | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.007 | 12% | 0.12 | C | C | . | . | trans | -62.7 | -42.7 | -155.5 | 58.9 | 0 | 0 | 0 | 0 | 116.1 | C99 D100 L102 P103 I125 | C99-S105 CarbonylContact C-O 3.15Å; C99-S105 VanDerWaalsContact CA-O 3.29Å; C99-S105 WeakPolarHBondContact CA-O 3.16Å; D100-S105 PolarHBondContact N-O 3.38Å; D100-S105 VanDerWaalsContact O-CB 3.23Å; D100-S105 WeakPolarHBondContact O-CB 3.39Å; L102-S105 WeakPolarHBondContact O-CA 3.49Å; L102-S105 VanDerWaalsContact O-CB 3.28Å; L102-S105 WeakPolarHBondContact O-CB 3.27Å; L102-S105 PolarHBondContact O-N 3.16Å; L102-S105 VanDerWaalsContact O-N 3.11Å; P103-S105 VanDerWaalsContact C-N 3.3Å; P103-S105 PolarHBondContact O-N 2.95Å; S105-I125 PolarHBondContact OG-N 2.98Å | ||
| 106 | C | 82.8 | Confident | 82.6 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 145.4 | -167.5 | -64 | 0 | 0 | 0 | 0 | 114.1 | V98 C99 A104 I121 I125 | V98-C106 CarbonylContact O-C 3.48Å; V98-C106 WeakPolarHBondContact O-CA 3.36Å; C99-C106 HydrophobicContact CB-CB 4.07Å; C99-C106 WeakPolarHBondContact CB-SG 3.42Å; C99-C106 WeakPolarHBondContact SG-CB 3.41Å; C99-C106 CovalentContact SG-SG 2.03Å; C99-C106 PolarHBondContact SG-SG 3.42Å; A104-C106 PolarHBondContact O-N 3.35Å; C106-I121 HydrophobicContact CB-CB 3.99Å; C106-I121 HydrophobicContact CB-CD1 3.69Å; C106-I121 HydrophobicContact CB-CG1 4.41Å; C106-I121 HydrophobicContact CB-CG2 4.25Å; C106-I121 WeakPolarHBondContact O-CB 3.39Å; C106-I121 PolarHBondContact O-N 2.87Å; C106-I125 VanDerWaalsContact SG-CD1 3.51Å |
| 107 | R | 84.4 | Confident | 81.7 | Confident | 34 Ų | 34 | 26.6 Ų | 26.6 | 13% | 0.128 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 143.6 | 175 | -58.6 | -177.9 | -164.5 | 160.3 | 13.4 | 111 | T57 V98 E119 R120 | T57-R107 VanDerWaalsContact O-CZ 3.3Å; T57-R107 PolarHBondContact O-NH1 2.93Å; T57-R107 PolarHBondContact O-NH2 3.5Å; V98-R107 PolarHBondContact N-O 3.1Å; V98-R107 PolarHBondContact O-N 3.41Å; R107-E119 VanDerWaalsContact CA-O 3.3Å; R107-E119 WeakPolarHBondContact CA-O 3.38Å; R107-R120 HydrophobicContact CG-CG 4.43Å |
| 108 | M | 87.4 | Confident | 80.4 | Confident | 8 Ų | 8 | 31.9 Ų | 31.9 | 4% | 0.039 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 120.7 | 169.1 | -64.4 | -157.7 | 178.9 | 0 | 0 | 109.9 | I97 A117 E118 E119 I121 L168 L173 M174 | I97-M108 HydrophobicContact CD1-CE 4.24Å; I97-M108 HydrophobicContact CG1-CE 4.06Å; I97-M108 HydrophobicContact CG1-CG 4.34Å; M108-A117 CarbonylContact O-C 3.57Å; M108-A117 WeakPolarHBondContact O-CA 3.43Å; M108-E118 PolarHBondContact O-N 2.93Å; M108-E119 PolarHBondContact N-O 3.42Å; M108-I121 HydrophobicContact CG-CD1 4.32Å; M108-L168 HydrophobicContact CE-CD2 3.76Å; M108-L173 HydrophobicContact CE-CD1 3.49Å; M108-L173 VanDerWaalsContact CE-CD1 3.49Å; M108-L173 HydrophobicContact CE-CD2 3.98Å; M108-L173 HydrophobicContact CE-CG 3.91Å; M108-L173 HydrophobicContact SD-CD1 4.26Å; M108-L173 HydrophobicContact SD-CD2 4.18Å; M108-M174 HydrophobicContact CE-CE 3.98Å |
| 109 | H | 89.7 | Confident | 79.1 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 154.5 | 177.3 | -67.4 | -107.1 | 0 | 0 | 0 | 110.5 | K95 L96 V98 V114 V116 | K95-H109 CarbonylContact C-O 3.53Å; K95-H109 VanDerWaalsContact CA-O 3.29Å; K95-H109 WeakPolarHBondContact CA-O 3.42Å; K95-H109 WeakPolarHBondContact CB-O 3.21Å; L96-H109 HydrophobicContact CB-CB 4.27Å; L96-H109 PolarHBondContact N-O 2.73Å; L96-H109 PolarHBondContact O-N 3.2Å; V98-H109 VanDerWaalsContact CG2-CD2 3.48Å; V98-H109 WeakPolarHBondContact CG2-CD2 3.46Å; H109-V114 HydrophobicContact CB-CG2 3.98Å; H109-V114 PolarHBondContact ND1-O 3.3Å; H109-V116 CarbonylContact C-O 3.56Å; H109-V116 VanDerWaalsContact CA-O 3.29Å; H109-V116 WeakPolarHBondContact CA-O 3.48Å |
| 110 | D | 89.5 | Confident | 77.7 | Confident | 24 Ų | 24 | 44 Ų | 44 | 13% | 0.128 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 138.3 | 176 | -169.9 | -95.1 | 0 | 0 | 0 | 112.7 | K95 Y112 N113 V114 V116 | K95-D110 IonicContact NZ-OD2 3.26Å; K95-D110 PolarHBondContact NZ-OD2 2.91Å; D110-Y112 VanDerWaalsContact C-N 3.32Å; D110-Y112 PolarHBondContact O-N 3.36Å; D110-Y112 WeakPolarHBondContact OD1-CA 3.41Å; D110-Y112 VanDerWaalsContact OD1-CB 3.28Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.49Å; D110-Y112 PolarHBondContact OD1-N 3.05Å; D110-N113 CarbonylContact O-C 3.51Å; D110-N113 VanDerWaalsContact O-C 3.24Å; D110-N113 PolarHBondContact O-N 2.8Å; D110-N113 PolarHBondContact OD1-N 3.22Å; D110-V114 PolarHBondContact O-N 2.8Å; D110-V116 HydrophobicContact CB-CB 4.22Å; D110-V116 PolarHBondContact N-O 2.69Å |
| 111 | L | 88.8 | Confident | 76.7 | Confident | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -75 | -15.2 | 179 | -71.7 | 173.2 | 0 | 0 | 0 | 114.1 | E27 R33 Y35 I89 T94 L96 | E27-L111 WeakPolarHBondContact OE1-CD1 3.37Å; R33-L111 PolarHBondContact NH1-O 3.1Å; Y35-L111 HydrophobicContact CE1-CD2 4.22Å; Y35-L111 HydrophobicContact CE2-CD2 3.77Å; Y35-L111 WeakPolarHBondContact OH-CD2 3.31Å; Y35-L111 PolarHBondContact OH-O 3.47Å; I89-L111 HydrophobicContact CG1-CD2 4.37Å; I89-L111 HydrophobicContact CG2-CD1 3.73Å; I89-L111 HydrophobicContact CG2-CD2 4.04Å; T94-L111 WeakPolarHBondContact O-CB 3.47Å; T94-L111 VanDerWaalsContact O-CG 3.28Å; T94-L111 WeakPolarHBondContact O-CG 3.44Å; T94-L111 PolarHBondContact O-N 3Å; L96-L111 HydrophobicContact CB-CD2 3.81Å; L96-L111 HydrophobicContact CD1-CD2 4.41Å |
| 112 | Y | 89.1 | Confident | 75.7 | Confident | 125 Ų | 125 | 45.9 Ų | 45.9 | 49% | 0.49 | 25% | 0.25 | S | S | . | . | S | Bend | trans | -88.2 | -30.2 | 172.9 | -58.6 | -86.6 | 0 | 0 | 0 | 111.4 | Q44 T94 D110 | Q44-Y112 PolarHBondContact NE2-O 3.12Å; Q44-Y112 PolarHBondContact OE1-O 3.44Å; T94-Y112 HydrophobicContact CG2-CE2 4.45Å; D110-Y112 VanDerWaalsContact C-N 3.32Å; D110-Y112 PolarHBondContact O-N 3.36Å; D110-Y112 WeakPolarHBondContact OD1-CA 3.41Å; D110-Y112 VanDerWaalsContact OD1-CB 3.28Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.49Å; D110-Y112 PolarHBondContact OD1-N 3.05Å |
| 113 | N | 89.1 | Confident | 75.5 | Confident | 58 Ų | 58 | 47.1 Ų | 47.1 | 31% | 0.31 | 26% | 0.256 | S | S | . | . | trans | -148.1 | 98.2 | 175.8 | -176.4 | 6.4 | 0 | 0 | 0 | 112.8 | S53 D110 S115 V116 | S53-N113 PolarHBondContact OG-OD1 2.93Å; D110-N113 CarbonylContact O-C 3.51Å; D110-N113 VanDerWaalsContact O-C 3.24Å; D110-N113 PolarHBondContact O-N 2.8Å; D110-N113 PolarHBondContact OD1-N 3.22Å; N113-S115 PolarHBondContact ND2-OG 2.95Å; N113-S115 VanDerWaalsContact ND2-OG 3.13Å; N113-S115 PolarHBondContact O-N 3.18Å; N113-S115 WeakPolarHBondContact OD1-CB 3.45Å; N113-S115 PolarHBondContact OD1-N 2.76Å; N113-S115 PolarHBondContact OD1-OG 2.89Å; N113-V116 HydrophobicContact CB-CG2 4.28Å; N113-V116 WeakPolarHBondContact O-CB 3.37Å; N113-V116 PolarHBondContact O-N 3.36Å | ||
| 114 | V | 90 | Very high | 76.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -20.1 | -178.9 | 76.3 | 0 | 0 | 0 | 0 | 114.2 | V42 Q44 A55 L96 H109 D110 V116 | V42-V114 HydrophobicContact CB-CG2 4.33Å; V42-V114 HydrophobicContact CG1-CG2 3.87Å; Q44-V114 HydrophobicContact CB-CB 4.08Å; Q44-V114 HydrophobicContact CB-CG1 3.64Å; A55-V114 HydrophobicContact CB-CG1 4.44Å; A55-V114 HydrophobicContact CB-CG2 4.39Å; A55-V114 WeakPolarHBondContact CB-O 3.45Å; L96-V114 HydrophobicContact CD2-CG2 3.87Å; H109-V114 HydrophobicContact CB-CG2 3.98Å; H109-V114 PolarHBondContact ND1-O 3.3Å; D110-V114 PolarHBondContact O-N 2.8Å; V114-V116 PolarHBondContact O-N 3.3Å |
| 115 | S | 87.4 | Confident | 77.4 | Confident | 65 Ų | 65 | 46.1 Ų | 46.1 | 46% | 0.455 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -17.9 | 174.6 | 69.3 | 0 | 0 | 0 | 0 | 113.7 | Q54 N113 | Q54-S115 WeakPolarHBondContact O-CB 3.45Å; N113-S115 PolarHBondContact ND2-OG 2.95Å; N113-S115 VanDerWaalsContact ND2-OG 3.13Å; N113-S115 PolarHBondContact O-N 3.18Å; N113-S115 WeakPolarHBondContact OD1-CB 3.45Å; N113-S115 PolarHBondContact OD1-N 2.76Å; N113-S115 PolarHBondContact OD1-OG 2.89Å |
| 116 | V | 85.3 | Confident | 78.2 | Confident | 63 Ų | 63 | 46.2 Ų | 46.2 | 38% | 0.382 | 25% | 0.246 | S | C | . | . | trans | -89.5 | 109.1 | 173.4 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | H109 D110 N113 V114 E118 | H109-V116 CarbonylContact C-O 3.56Å; H109-V116 VanDerWaalsContact CA-O 3.29Å; H109-V116 WeakPolarHBondContact CA-O 3.48Å; D110-V116 HydrophobicContact CB-CB 4.22Å; D110-V116 PolarHBondContact N-O 2.69Å; N113-V116 HydrophobicContact CB-CG2 4.28Å; N113-V116 WeakPolarHBondContact O-CB 3.37Å; N113-V116 PolarHBondContact O-N 3.36Å; V114-V116 PolarHBondContact O-N 3.3Å; V116-E118 HydrophobicContact CG1-CG 4.21Å | ||
| 117 | A | 73.1 | Confident | 77.8 | Confident | 51 Ų | 51 | 46.6 Ų | 46.6 | 42% | 0.421 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 123 | 170.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | M108 | M108-A117 CarbonylContact O-C 3.57Å; M108-A117 WeakPolarHBondContact O-CA 3.43Å |
| 118 | E | 63.4 | Low | 77.1 | Confident | 110 Ų | 110 | 50.8 Ų | 50.8 | 51% | 0.514 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | -24.5 | -170.6 | -75.3 | 173.1 | -170.7 | 0 | 0 | 113.7 | K95 M108 V116 | K95-E118 WeakPolarHBondContact CE-OE2 3.26Å; K95-E118 IonicContact NZ-OE1 2.68Å; K95-E118 PolarHBondContact NZ-OE1 3.49Å; K95-E118 IonicContact NZ-OE2 3.71Å; K95-E118 PolarHBondContact NZ-OE2 2.92Å; M108-E118 PolarHBondContact O-N 2.93Å; V116-E118 HydrophobicContact CG1-CG 4.21Å |
| 119 | E | 62.2 | Low | 76.2 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 44% | 0.444 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 141.2 | -179 | -114.2 | 173.9 | 126 | 0 | 0 | 113.1 | R107 M108 L173 | R107-E119 VanDerWaalsContact CA-O 3.3Å; R107-E119 WeakPolarHBondContact CA-O 3.38Å; M108-E119 PolarHBondContact N-O 3.42Å; E119-L173 HydrophobicContact CB-CD2 4.29Å; E119-L173 VanDerWaalsContact CD-CD2 3.44Å; E119-L173 HydrophobicContact CG-CD2 4.43Å; E119-L173 WeakPolarHBondContact OE1-CD2 3.23Å; E119-L173 VanDerWaalsContact OE2-CD2 3.24Å; E119-L173 WeakPolarHBondContact OE2-CD2 3.46Å |
| 120 | R | 59.2 | Low | 75.4 | Confident | 160 Ų | 160 | 52.2 Ų | 52.2 | 60% | 0.604 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 119.6 | 164.4 | -76.6 | -175.7 | 178 | -174.2 | -2.4 | 108.6 | R107 | R107-R120 HydrophobicContact CG-CG 4.43Å |
| 121 | I | 62.1 | Low | 74.5 | Confident | 8 Ų | 8 | 55.6 Ų | 55.6 | 4% | 0.041 | 29% | 0.293 | C | S | . | . | trans | -79.6 | 132.6 | 177.1 | -74.5 | 123.7 | 0 | 0 | 0 | 110.2 | C106 M108 L173 M174 | C106-I121 HydrophobicContact CB-CB 3.99Å; C106-I121 HydrophobicContact CB-CD1 3.69Å; C106-I121 HydrophobicContact CB-CG1 4.41Å; C106-I121 HydrophobicContact CB-CG2 4.25Å; C106-I121 WeakPolarHBondContact O-CB 3.39Å; C106-I121 PolarHBondContact O-N 2.87Å; M108-I121 HydrophobicContact CG-CD1 4.32Å; I121-L173 HydrophobicContact CD1-CD2 4.33Å; I121-L173 HydrophobicContact CG1-CD2 4.15Å; I121-L173 HydrophobicContact CG1-CG 4.37Å; I121-M174 HydrophobicContact CB-CB 4.26Å; I121-M174 HydrophobicContact CB-CG 4.37Å; I121-M174 HydrophobicContact CD1-CB 4.4Å; I121-M174 HydrophobicContact CD1-CG 3.63Å; I121-M174 HydrophobicContact CG1-CB 3.91Å; I121-M174 HydrophobicContact CG1-CG 3.68Å; I121-M174 HydrophobicContact CG2-CB 3.41Å; I121-M174 VanDerWaalsContact CG2-CB 3.41Å; I121-M174 HydrophobicContact CG2-CG 3.97Å | ||
| 122 | G | 54.8 | Low | 74.2 | Confident | 56 Ų | 56 | 57.1 Ų | 57.1 | 58% | 0.577 | 30% | 0.302 | S | S | * | . | trans | -88.6 | -16.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 123 | E | 67.7 | Low | 74.2 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 25% | 0.248 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -96.2 | 131.5 | 177.1 | -69.4 | -177.1 | -167.6 | 0 | 0 | 110.4 | I125 R175 | E123-I125 PolarHBondContact O-N 2.68Å; E123-R175 IonicContact OE1-CZ 3.71Å; E123-R175 IonicContact OE1-NE 2.73Å; E123-R175 PolarHBondContact OE1-NE 3.23Å; E123-R175 IonicContact OE1-NH2 3.23Å; E123-R175 PolarHBondContact OE1-NH2 3.03Å |
| 124 | P | 72.6 | Confident | 74.3 | Confident | 52 Ų | 52 | 49.6 Ų | 49.6 | 34% | 0.338 | 27% | 0.272 | S | S | . | . | trans | -73.9 | 120.6 | 176.6 | 28.7 | -33.2 | 0 | 0 | 0 | 111 | I160 | P124-I160 HydrophobicContact CB-CD1 4.01Å; P124-I160 HydrophobicContact CG-CD1 4.25Å; P124-I160 HydrophobicContact CG-CG1 4.36Å | ||
| 125 | I | 81 | Confident | 74.4 | Confident | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | trans | -95 | -30.6 | -178.7 | -60 | 175.7 | 0 | 0 | 0 | 112.3 | S105 C106 E123 F147 A149 I160 Y166 M174 | S105-I125 PolarHBondContact OG-N 2.98Å; C106-I125 VanDerWaalsContact SG-CD1 3.51Å; E123-I125 PolarHBondContact O-N 2.68Å; I125-F147 HydrophobicContact CD1-CD1 4.15Å; I125-F147 HydrophobicContact CD1-CE1 4.04Å; I125-F147 HydrophobicContact CG2-CE1 4.17Å; I125-A149 HydrophobicContact CG2-CB 3.64Å; I125-I160 VanDerWaalsContact O-CG2 3.31Å; I125-I160 WeakPolarHBondContact O-CG2 3.46Å; I125-Y166 HydrophobicContact CD1-CG 4.42Å; I125-Y166 HydrophobicContact CG1-CD1 4.33Å; I125-Y166 HydrophobicContact CG1-CE1 4.2Å; I125-Y166 HydrophobicContact CG2-CD2 4.15Å; I125-Y166 HydrophobicContact CG2-CE2 3.65Å; I125-M174 HydrophobicContact CD1-CB 3.82Å; I125-M174 HydrophobicContact CD1-CG 4.01Å; I125-M174 HydrophobicContact CD1-SD 3.8Å | ||
| 126 | F | 82.3 | Confident | 74.7 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -118 | 139 | -177.9 | -60.9 | -80.3 | 0 | 0 | 0 | 110.3 | R85 A86 C99 A135 F147 A149 | R85-F126 HydrophobicContact CB-CB 3.74Å; R85-F126 HydrophobicContact CB-CD1 3.86Å; R85-F126 HydrophobicContact CB-CD2 3.72Å; R85-F126 HydrophobicContact CB-CE1 4.44Å; R85-F126 HydrophobicContact CB-CE2 4.32Å; R85-F126 HydrophobicContact CB-CG 3.47Å; R85-F126 VanDerWaalsContact CB-CG 3.47Å; R85-F126 HydrophobicContact CG-CB 3.9Å; R85-F126 HydrophobicContact CG-CG 4.2Å; A86-F126 HydrophobicContact CB-CE2 3.87Å; A86-F126 HydrophobicContact CB-CZ 3.76Å; C99-F126 HydrophobicContact CB-CD2 3.77Å; C99-F126 HydrophobicContact CB-CE2 3.5Å; C99-F126 VanDerWaalsContact CB-CE2 3.5Å; F126-A135 HydrophobicContact CZ-CB 3.92Å; F126-F147 HydrophobicContact CE2-CE1 4.29Å; F126-F147 HydrophobicContact CE2-CZ 4.43Å; F126-F147 HydrophobicContact CZ-CE1 4.25Å; F126-F147 HydrophobicContact CZ-CZ 4.35Å; F126-A149 HydrophobicContact CE1-CB 4.03Å; F126-A149 HydrophobicContact CZ-CB 3.82Å |
| 127 | R | 74.9 | Confident | 75.1 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | trans | -70.8 | 141.5 | 179 | -58.6 | 171.5 | 57.4 | 113.8 | 9 | 110.2 | D129 S130 T151 S152 G154 G155 I160 | R127-D129 WeakPolarHBondContact CB-OD1 3.35Å; R127-D129 IonicContact NE-OD1 2.82Å; R127-D129 PolarHBondContact NE-OD1 3.09Å; R127-D129 IonicContact NH2-OD1 3.08Å; R127-D129 IonicContact NH2-OD2 3.34Å; R127-D129 PolarHBondContact O-N 3.1Å; R127-S130 WeakPolarHBondContact O-CB 3.46Å; R127-S130 PolarHBondContact O-N 3.3Å; R127-S130 VanDerWaalsContact O-N 3.17Å; R127-S130 PolarHBondContact O-OG 3.41Å; R127-T151 HydrophobicContact CG-CG2 3.86Å; R127-T151 PolarHBondContact N-OG1 2.65Å; R127-S152 WeakPolarHBondContact CD-O 3.49Å; R127-G154 VanDerWaalsContact NH2-C 3.32Å; R127-G155 VanDerWaalsContact NH2-C 3.33Å; R127-G155 PolarHBondContact NH2-O 2.88Å; R127-I160 HydrophobicContact CG-CB 4.05Å; R127-I160 HydrophobicContact CG-CD1 4.02Å; R127-I160 HydrophobicContact CG-CG2 3.83Å | ||
| 128 | W | 69.1 | Low | 76 | Confident | 122 Ų | 122 | 44.8 Ų | 44.8 | 46% | 0.462 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -35.5 | -177.3 | 74.8 | -89.4 | 0 | 0 | 0 | 112.1 | N101 | N101-W128 PolarHBondContact ND2-O 3.39Å; N101-W128 WeakPolarHBondContact O-CA 3.43Å; N101-W128 WeakPolarHBondContact O-CB 3.41Å |
| 129 | D | 69.2 | Low | 77.3 | Confident | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 3.8 | -178 | 70.5 | -16.1 | 0 | 0 | 0 | 114.6 | R127 T131 G153 G154 G155 | R127-D129 WeakPolarHBondContact CB-OD1 3.35Å; R127-D129 IonicContact NE-OD1 2.82Å; R127-D129 PolarHBondContact NE-OD1 3.09Å; R127-D129 IonicContact NH2-OD1 3.08Å; R127-D129 IonicContact NH2-OD2 3.34Å; R127-D129 PolarHBondContact O-N 3.1Å; D129-T131 PolarHBondContact O-N 3.26Å; D129-G153 WeakPolarHBondContact OD1-CA 3.12Å; D129-G154 WeakPolarHBondContact OD2-CA 2.83Å; D129-G154 PolarHBondContact OD2-N 3.31Å; D129-G155 PolarHBondContact OD2-N 3.11Å |
| 130 | S | 72.3 | Confident | 78.4 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 22% | 0.215 | C | C | . | . | trans | -59.9 | 125.8 | -179 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | R85 R127 T151 S152 | R85-S130 WeakPolarHBondContact CD-OG 3.49Å; R85-S130 PolarHBondContact NE-OG 3.35Å; R85-S130 PolarHBondContact NH1-O 2.88Å; R85-S130 PolarHBondContact NH2-O 3.46Å; R127-S130 WeakPolarHBondContact O-CB 3.46Å; R127-S130 PolarHBondContact O-N 3.3Å; R127-S130 VanDerWaalsContact O-N 3.17Å; R127-S130 PolarHBondContact O-OG 3.41Å; S130-T151 WeakPolarHBondContact CB-OG1 3.43Å; S130-S152 VanDerWaalsContact CA-O 3.25Å; S130-S152 WeakPolarHBondContact CA-O 3.25Å; S130-S152 WeakPolarHBondContact CB-O 3.48Å | ||
| 131 | T | 71.4 | Confident | 79.3 | Confident | 95 Ų | 95 | 32.2 Ų | 32.2 | 58% | 0.583 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -80.6 | -37.1 | 172.4 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | D129 S152 | D129-T131 PolarHBondContact O-N 3.26Å; T131-S152 PolarHBondContact N-OG 2.88Å; T131-S152 PolarHBondContact OG1-OG 3.2Å |
| 132 | T | 81.8 | Confident | 79.9 | Confident | 34 Ų | 34 | 36.8 Ų | 36.8 | 21% | 0.209 | 21% | 0.212 | C | C | . | . | trans | -132.9 | 145.1 | -178 | 59.7 | 0 | 0 | 0 | 0 | 111.6 | S152 A197 Y198 | T132-S152 PolarHBondContact N-OG 2.84Å; T132-S152 PolarHBondContact O-N 3.04Å; T132-S152 VanDerWaalsContact O-N 3.14Å; T132-S152 PolarHBondContact O-OG 3.32Å; T132-S152 WeakPolarHBondContact OG1-CB 3.3Å; T132-S152 PolarHBondContact OG1-OG 3.42Å; T132-A197 HydrophobicContact CG2-CB 4.02Å; T132-A197 VanDerWaalsContact OG1-CA 3.27Å; T132-A197 WeakPolarHBondContact OG1-CA 3.37Å; T132-Y198 WeakPolarHBondContact CB-O 3.45Å; T132-Y198 PolarHBondContact OG1-N 3.19Å | ||
| 133 | S | 88.4 | Confident | 80.9 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 7% | 0.07 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 140.7 | -178.5 | 42.2 | 0 | 0 | 0 | 0 | 110.7 | R23 R85 A150 | R23-S133 PolarHBondContact NH2-O 2.95Å; R23-S133 PolarHBondContact NH2-OG 2.82Å; R85-S133 WeakPolarHBondContact CA-OG 3.22Å; R85-S133 WeakPolarHBondContact CD-OG 3.4Å; R85-S133 WeakPolarHBondContact O-CB 3.31Å; R85-S133 PolarHBondContact O-OG 3.08Å; S133-A150 WeakPolarHBondContact CA-O 3.26Å |
| 134 | V | 91.1 | Very high | 81.7 | Confident | 14 Ų | 14 | 39.3 Ų | 39.3 | 9% | 0.085 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 137.5 | -178 | 172.1 | 0 | 0 | 0 | 0 | 108.3 | A149 A150 Y198 F210 | V134-A149 CarbonylContact O-C 3.52Å; V134-A149 WeakPolarHBondContact O-CA 3.3Å; V134-A150 PolarHBondContact N-O 2.85Å; V134-A150 PolarHBondContact O-N 3.3Å; V134-Y198 WeakPolarHBondContact CG2-O 3.25Å; V134-F210 HydrophobicContact CB-CD1 4.43Å; V134-F210 HydrophobicContact CG1-CD1 4.01Å; V134-F210 HydrophobicContact CG1-CE1 4.32Å |
| 135 | A | 92.5 | Very high | 82.4 | Confident | 21 Ų | 21 | 39 Ų | 39 | 17% | 0.174 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 155 | 167.2 | 0 | 0 | 0 | 0 | 0 | 113 | A86 V88 F126 F147 Y148 A149 | A86-A135 HydrophobicContact CB-CB 3.94Å; V88-A135 HydrophobicContact CG2-CB 4.36Å; V88-A135 WeakPolarHBondContact CG2-O 3.43Å; F126-A135 HydrophobicContact CZ-CB 3.92Å; A135-F147 HydrophobicContact CB-CE1 3.93Å; A135-F147 HydrophobicContact CB-CE2 3.83Å; A135-F147 HydrophobicContact CB-CZ 3.42Å; A135-F147 VanDerWaalsContact CB-CZ 3.42Å; A135-Y148 CarbonylContact C-O 3.54Å; A135-Y148 WeakPolarHBondContact CA-O 3.45Å; A135-Y148 VanDerWaalsContact CB-O 3.24Å; A135-Y148 WeakPolarHBondContact CB-O 3.36Å; A135-A149 HydrophobicContact CB-CB 3.96Å |
| 136 | F | 94.2 | Very high | 82.9 | Confident | 20 Ų | 20 | 39 Ų | 39 | 9% | 0.088 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161.1 | 177.9 | 56.7 | -85.9 | 0 | 0 | 0 | 110.6 | A138 Y148 G201 F202 F210 | F136-A138 HydrophobicContact CD2-CB 3.95Å; F136-A138 HydrophobicContact CE2-CB 3.94Å; F136-Y148 HydrophobicContact CD2-CD2 4.45Å; F136-Y148 HydrophobicContact CE2-CD2 4.04Å; F136-Y148 AromaticContact CE2-CG 3.97Å; F136-Y148 HydrophobicContact CE2-CG 3.97Å; F136-Y148 HydrophobicContact CZ-CG 4.13Å; F136-Y148 PolarHBondContact N-O 3.44Å; F136-Y148 PolarHBondContact O-N 2.76Å; F136-G201 VanDerWaalsContact CD1-C 3.5Å; F136-F202 WeakPolarHBondContact CZ-O 3.42Å; F136-F210 HydrophobicContact CD1-CE1 4.43Å; F136-F210 HydrophobicContact CE1-CD1 4.11Å; F136-F210 AromaticContact CE1-CE1 3.65Å; F136-F210 HydrophobicContact CE1-CE1 3.65Å; F136-F210 HydrophobicContact CE1-CE2 4.39Å; F136-F210 AromaticContact CE1-CZ 3.84Å; F136-F210 HydrophobicContact CE1-CZ 3.84Å; F136-F210 HydrophobicContact CZ-CE1 4.45Å; F136-F210 HydrophobicContact CZ-CE2 4.45Å; F136-F210 HydrophobicContact CZ-CZ 4.19Å |
| 137 | V | 92.9 | Very high | 83.3 | Confident | 30 Ų | 30 | 38.8 Ų | 38.8 | 18% | 0.182 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.9 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | V88 Y90 I97 E145 A146 F147 L168 | V88-V137 HydrophobicContact CG1-CB 4.5Å; V88-V137 HydrophobicContact CG1-CG2 3.86Å; Y90-V137 HydrophobicContact CD2-CG1 4.17Å; Y90-V137 HydrophobicContact CE2-CG1 4.46Å; I97-V137 HydrophobicContact CD1-CG2 4.04Å; V137-E145 HydrophobicContact CG1-CB 3.99Å; V137-E145 HydrophobicContact CG1-CG 4.32Å; V137-A146 WeakPolarHBondContact CA-O 3.43Å; V137-F147 HydrophobicContact CG2-CD2 4.19Å; V137-L168 HydrophobicContact CB-CD1 4.25Å; V137-L168 HydrophobicContact CG1-CD1 3.52Å; V137-L168 HydrophobicContact CG2-CD1 3.69Å |
| 138 | A | 92.5 | Very high | 84.3 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 7% | 0.066 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 173 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F136 G140 E145 A146 Y148 S203 | F136-A138 HydrophobicContact CD2-CB 3.95Å; F136-A138 HydrophobicContact CE2-CB 3.94Å; A138-G140 PolarHBondContact O-N 2.64Å; A138-E145 CarbonylContact O-C 3.52Å; A138-E145 WeakPolarHBondContact O-CA 3.47Å; A138-A146 PolarHBondContact N-O 2.72Å; A138-A146 VanDerWaalsContact N-O 3.13Å; A138-A146 PolarHBondContact O-N 2.81Å; A138-Y148 HydrophobicContact CB-CD2 3.99Å; A138-Y148 HydrophobicContact CB-CE2 3.86Å; A138-S203 VanDerWaalsContact CB-CB 3.45Å; A138-S203 WeakPolarHBondContact CB-OG 3.25Å |
| 139 | D | 90.3 | Very high | 85.3 | Confident | 93 Ų | 93 | 32.8 Ų | 32.8 | 50% | 0.497 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.9 | 140.5 | 169.5 | -71.5 | -36.7 | 0 | 0 | 0 | 110.9 | Y148 Q233 | D139-Y148 VanDerWaalsContact O-CE2 3.28Å; D139-Y148 WeakPolarHBondContact O-CE2 3.46Å; D139-Y148 PolarHBondContact O-OH 2.96Å; D139-Q233 WeakPolarHBondContact O-CB 3.13Å; D139-Q233 WeakPolarHBondContact O-CG 2.89Å |
| 140 | G | 85.3 | Confident | 86.4 | Confident | 3 Ų | 3 | 31 Ų | 31 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 174.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A138 L142 G143 K144 Y148 Q233 | A138-G140 PolarHBondContact O-N 2.64Å; G140-L142 PolarHBondContact O-N 2.77Å; G140-G143 PolarHBondContact O-N 3.25Å; G140-K144 CarbonylContact C-O 3.52Å; G140-K144 WeakPolarHBondContact CA-O 3.48Å; G140-K144 PolarHBondContact N-O 2.77Å; G140-Y148 WeakPolarHBondContact CA-OH 3.21Å; G140-Q233 CarbonylContact C-O 3.54Å |
| 141 | P | 78.4 | Confident | 87.1 | Confident | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | 142.1 | -176.3 | -22 | 32.3 | 0 | 0 | 0 | 110.3 | V177 T185 Q233 D235 R236 | P141-V177 HydrophobicContact CB-CG1 4.12Å; P141-V177 HydrophobicContact CG-CG1 4.32Å; P141-T185 HydrophobicContact CG-CG2 4.5Å; P141-Q233 WeakPolarHBondContact CA-O 3.15Å; P141-Q233 WeakPolarHBondContact CD-O 3.13Å; P141-D235 WeakPolarHBondContact CG-O 3.27Å; P141-R236 HydrophobicContact CB-CB 4.49Å; P141-R236 HydrophobicContact CB-CG 3.51Å; P141-R236 HydrophobicContact CG-CG 4.47Å |
| 142 | L | 74.5 | Confident | 87.6 | Confident | 104 Ų | 104 | 26.4 Ų | 26.4 | 55% | 0.545 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 2.1 | -167.4 | -53.3 | 134.6 | 0 | 0 | 0 | 115.7 | G140 V177 R236 | G140-L142 PolarHBondContact O-N 2.77Å; L142-V177 HydrophobicContact CD1-CG1 4.19Å; L142-R236 VanDerWaalsContact CD2-CZ 3.42Å; L142-R236 VanDerWaalsContact CD2-NH2 3.32Å |
| 143 | G | 77.1 | Confident | 86.8 | Confident | 69 Ų | 69 | 25.3 Ų | 25.3 | 71% | 0.711 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.4 | 32.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | G140 | G140-G143 PolarHBondContact O-N 3.25Š|
| 144 | K | 83.6 | Confident | 85.1 | Confident | 94 Ų | 94 | 27.1 Ų | 27.1 | 41% | 0.409 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 148.1 | 175.3 | -63.3 | -169.4 | 176.6 | -168.7 | 0 | 109.1 | G140 D169 | G140-K144 CarbonylContact C-O 3.52Å; G140-K144 WeakPolarHBondContact CA-O 3.48Å; G140-K144 PolarHBondContact N-O 2.77Å; K144-D169 VanDerWaalsContact CD-OD1 3.31Å; K144-D169 WeakPolarHBondContact CD-OD1 3.23Å; K144-D169 VanDerWaalsContact CD-OD2 3.28Å; K144-D169 WeakPolarHBondContact CD-OD2 3.37Å; K144-D169 IonicContact NZ-OD1 2.69Å; K144-D169 PolarHBondContact NZ-OD1 3.25Å; K144-D169 IonicContact NZ-OD2 2.8Å; K144-D169 PolarHBondContact NZ-OD2 2.97Å |
| 145 | E | 87.8 | Confident | 83.2 | Confident | 44 Ų | 44 | 28 Ų | 28 | 21% | 0.206 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.6 | 140.5 | 173.7 | -73.1 | 149 | 109 | 0 | 0 | 111.5 | Y90 K92 V137 A138 L168 | Y90-E145 HydrophobicContact CE2-CB 4.32Å; K92-E145 WeakPolarHBondContact CD-OE2 3.34Å; K92-E145 WeakPolarHBondContact CE-OE2 3.47Å; K92-E145 IonicContact NZ-OE2 3.38Å; K92-E145 PolarHBondContact NZ-OE2 3Å; V137-E145 HydrophobicContact CG1-CB 3.99Å; V137-E145 HydrophobicContact CG1-CG 4.32Å; A138-E145 CarbonylContact O-C 3.52Å; A138-E145 WeakPolarHBondContact O-CA 3.47Å; E145-L168 HydrophobicContact CB-CD1 4.39Å |
| 146 | A | 91.1 | Very high | 81.3 | Confident | 2 Ų | 2 | 36 Ų | 36 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 153.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V137 A138 Y148 T165 Y166 V177 | V137-A146 WeakPolarHBondContact CA-O 3.43Å; A138-A146 PolarHBondContact N-O 2.72Å; A138-A146 VanDerWaalsContact N-O 3.13Å; A138-A146 PolarHBondContact O-N 2.81Å; A146-Y148 HydrophobicContact CB-CE2 4.18Å; A146-Y148 WeakPolarHBondContact O-CD2 3.46Å; A146-T165 HydrophobicContact CB-CG2 3.39Å; A146-Y166 CarbonylContact C-O 3.56Å; A146-Y166 WeakPolarHBondContact CA-O 3.39Å; A146-Y166 WeakPolarHBondContact CB-O 3.43Å; A146-V177 HydrophobicContact CB-CG2 4.13Å |
| 147 | F | 92 | Very high | 79.7 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.6 | 174.3 | -173.3 | -106.4 | 0 | 0 | 0 | 109.1 | A86 V88 I97 I125 F126 A135 V137 A149 Y166 L168 M174 | A86-F147 HydrophobicContact CB-CZ 4.01Å; V88-F147 HydrophobicContact CB-CE2 4.26Å; V88-F147 HydrophobicContact CG2-CE2 3.92Å; I97-F147 HydrophobicContact CD1-CD2 4.02Å; I97-F147 HydrophobicContact CD1-CE2 4.29Å; I97-F147 HydrophobicContact CG2-CD2 4.48Å; I97-F147 HydrophobicContact CG2-CE2 3.84Å; I97-F147 HydrophobicContact CG2-CZ 4.17Å; I125-F147 HydrophobicContact CD1-CD1 4.15Å; I125-F147 HydrophobicContact CD1-CE1 4.04Å; I125-F147 HydrophobicContact CG2-CE1 4.17Å; F126-F147 HydrophobicContact CE2-CE1 4.29Å; F126-F147 HydrophobicContact CE2-CZ 4.43Å; F126-F147 HydrophobicContact CZ-CE1 4.25Å; F126-F147 HydrophobicContact CZ-CZ 4.35Å; A135-F147 HydrophobicContact CB-CE1 3.93Å; A135-F147 HydrophobicContact CB-CE2 3.83Å; A135-F147 HydrophobicContact CB-CZ 3.42Å; A135-F147 VanDerWaalsContact CB-CZ 3.42Å; V137-F147 HydrophobicContact CG2-CD2 4.19Å; F147-A149 HydrophobicContact CD1-CB 4.17Å; F147-A149 HydrophobicContact CE1-CB 3.85Å; F147-Y166 HydrophobicContact CD1-CD2 4.32Å; F147-Y166 PolarHBondContact N-O 3Å; F147-Y166 PolarHBondContact O-N 3.37Å; F147-L168 HydrophobicContact CB-CD1 4.46Å; F147-L168 HydrophobicContact CB-CD2 4.07Å; F147-L168 HydrophobicContact CB-CG 4.23Å; F147-M174 HydrophobicContact CB-CE 4.07Å; F147-M174 HydrophobicContact CB-SD 3.67Å; F147-M174 HydrophobicContact CD1-CE 3.96Å; F147-M174 HydrophobicContact CD1-SD 3.62Å; F147-M174 HydrophobicContact CD2-CE 3.84Å; F147-M174 HydrophobicContact CD2-SD 4.41Å; F147-M174 HydrophobicContact CE1-CE 4.29Å; F147-M174 HydrophobicContact CE1-SD 4.31Å; F147-M174 HydrophobicContact CE2-CE 4.18Å; F147-M174 HydrophobicContact CG-CE 3.71Å; F147-M174 HydrophobicContact CG-SD 3.67Å; F147-M174 HydrophobicContact CZ-CE 4.39Å |
| 148 | Y | 94.1 | Very high | 78.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 126.1 | 175 | -72.1 | -95.6 | 0 | 0 | 0 | 108.4 | A135 F136 A138 D139 G140 A146 T165 S208 | A135-Y148 CarbonylContact C-O 3.54Å; A135-Y148 WeakPolarHBondContact CA-O 3.45Å; A135-Y148 VanDerWaalsContact CB-O 3.24Å; A135-Y148 WeakPolarHBondContact CB-O 3.36Å; F136-Y148 HydrophobicContact CD2-CD2 4.45Å; F136-Y148 HydrophobicContact CE2-CD2 4.04Å; F136-Y148 AromaticContact CE2-CG 3.97Å; F136-Y148 HydrophobicContact CE2-CG 3.97Å; F136-Y148 HydrophobicContact CZ-CG 4.13Å; F136-Y148 PolarHBondContact N-O 3.44Å; F136-Y148 PolarHBondContact O-N 2.76Å; A138-Y148 HydrophobicContact CB-CD2 3.99Å; A138-Y148 HydrophobicContact CB-CE2 3.86Å; D139-Y148 VanDerWaalsContact O-CE2 3.28Å; D139-Y148 WeakPolarHBondContact O-CE2 3.46Å; D139-Y148 PolarHBondContact O-OH 2.96Å; G140-Y148 WeakPolarHBondContact CA-OH 3.21Å; A146-Y148 HydrophobicContact CB-CE2 4.18Å; A146-Y148 WeakPolarHBondContact O-CD2 3.46Å; Y148-T165 HydrophobicContact CD1-CG2 4.19Å; Y148-T165 WeakPolarHBondContact CD1-OG1 3.4Å; Y148-T165 HydrophobicContact CD2-CG2 4.46Å; Y148-T165 HydrophobicContact CE1-CG2 3.86Å; Y148-T165 WeakPolarHBondContact CE1-OG1 3.49Å; Y148-T165 HydrophobicContact CE2-CG2 4.14Å; Y148-T165 HydrophobicContact CG-CG2 4.48Å; Y148-S208 WeakPolarHBondContact CE1-OG 3.36Å; Y148-S208 WeakPolarHBondContact CE2-OG 3.26Å; Y148-S208 VanDerWaalsContact CZ-OG 3.23Å |
| 149 | A | 91.9 | Very high | 77.1 | Confident | 2 Ų | 2 | 48 Ų | 48 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 147.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I125 F126 V134 A135 F147 V163 G164 Y166 | I125-A149 HydrophobicContact CG2-CB 3.64Å; F126-A149 HydrophobicContact CE1-CB 4.03Å; F126-A149 HydrophobicContact CZ-CB 3.82Å; V134-A149 CarbonylContact O-C 3.52Å; V134-A149 WeakPolarHBondContact O-CA 3.3Å; A135-A149 HydrophobicContact CB-CB 3.96Å; F147-A149 HydrophobicContact CD1-CB 4.17Å; F147-A149 HydrophobicContact CE1-CB 3.85Å; A149-V163 CarbonylContact O-C 3.55Å; A149-V163 WeakPolarHBondContact O-CA 3.46Å; A149-G164 PolarHBondContact N-O 3.2Å; A149-G164 PolarHBondContact O-N 2.78Å; A149-Y166 HydrophobicContact CB-CD2 4.39Å; A149-Y166 HydrophobicContact CB-CE2 4.07Å |
| 150 | A | 91.2 | Very high | 76.5 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 142.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S133 V134 A162 V163 Y198 F210 | S133-A150 WeakPolarHBondContact CA-O 3.26Å; V134-A150 PolarHBondContact N-O 2.85Å; V134-A150 PolarHBondContact O-N 3.3Å; A150-A162 CarbonylContact C-O 3.56Å; A150-A162 WeakPolarHBondContact CA-O 3.39Å; A150-A162 WeakPolarHBondContact CB-O 3.38Å; A150-V163 HydrophobicContact CB-CG2 4Å; A150-Y198 HydrophobicContact CB-CD1 3.52Å; A150-Y198 HydrophobicContact CB-CD2 4.2Å; A150-Y198 HydrophobicContact CB-CE1 3.72Å; A150-Y198 HydrophobicContact CB-CE2 4.37Å; A150-Y198 HydrophobicContact CB-CG 3.77Å; A150-F210 HydrophobicContact CB-CD1 3.62Å; A150-F210 HydrophobicContact CB-CE1 3.59Å; A150-F210 HydrophobicContact CB-CG 4.36Å; A150-F210 HydrophobicContact CB-CZ 4.31Å |
| 151 | T | 87.2 | Confident | 76.4 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 130.8 | -170.4 | -168.5 | 0 | 0 | 0 | 0 | 112.1 | R127 S130 I160 A162 Y198 | R127-T151 HydrophobicContact CG-CG2 3.86Å; R127-T151 PolarHBondContact N-OG1 2.65Å; S130-T151 WeakPolarHBondContact CB-OG1 3.43Å; T151-I160 HydrophobicContact CG2-CG2 3.87Å; T151-A162 PolarHBondContact N-O 2.91Å; T151-Y198 WeakPolarHBondContact O-CE2 3.27Å |
| 152 | S | 81.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | trans | -76.9 | 164.7 | 167.9 | 57.6 | 0 | 0 | 0 | 0 | 111.5 | R127 S130 T131 T132 I196 | R127-S152 WeakPolarHBondContact CD-O 3.49Å; S130-S152 VanDerWaalsContact CA-O 3.25Å; S130-S152 WeakPolarHBondContact CA-O 3.25Å; S130-S152 WeakPolarHBondContact CB-O 3.48Å; T131-S152 PolarHBondContact N-OG 2.88Å; T131-S152 PolarHBondContact OG1-OG 3.2Å; T132-S152 PolarHBondContact N-OG 2.84Å; T132-S152 PolarHBondContact O-N 3.04Å; T132-S152 VanDerWaalsContact O-N 3.14Å; T132-S152 PolarHBondContact O-OG 3.32Å; T132-S152 WeakPolarHBondContact OG1-CB 3.3Å; T132-S152 PolarHBondContact OG1-OG 3.42Å; S152-I196 WeakPolarHBondContact CB-O 3.04Å | ||
| 153 | G | 65 | Low | 77.5 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 12% | 0.124 | 22% | 0.222 | C | C | . | . | trans | 151.5 | 158.4 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D129 P193 | D129-G153 WeakPolarHBondContact OD1-CA 3.12Å; G153-P193 WeakPolarHBondContact O-CB 3.48Å; G153-P193 WeakPolarHBondContact O-CG 3.29Å | ||
| 154 | G | 53.2 | Low | 78.1 | Confident | 48 Ų | 48 | 35.4 Ų | 35.4 | 50% | 0.495 | 19% | 0.188 | S | C | . | . | trans | -105.4 | -35.7 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | R127 D129 P193 | R127-G154 VanDerWaalsContact NH2-C 3.32Å; D129-G154 WeakPolarHBondContact OD2-CA 2.83Å; D129-G154 PolarHBondContact OD2-N 3.31Å; G154-P193 WeakPolarHBondContact O-CG 3.42Å | ||
| 155 | G | 50.6 | Low | 78.5 | Confident | 32 Ų | 32 | 31 Ų | 31 | 33% | 0.33 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -69.4 | -175.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 118.7 | R127 D129 E157 | R127-G155 VanDerWaalsContact NH2-C 3.33Å; R127-G155 PolarHBondContact NH2-O 2.88Å; D129-G155 PolarHBondContact OD2-N 3.11Å; G155-E157 VanDerWaalsContact C-N 3.28Å; G155-E157 PolarHBondContact O-N 2.78Å |
| 156 | E | 52.6 | Low | 78.6 | Confident | 190 Ų | 190 | 29.1 Ų | 29.1 | 89% | 0.888 | 16% | 0.159 | S | C | * | . | S | Bend | trans | -78.7 | 6.6 | -167.5 | -57 | -173.3 | 143.6 | 0 | 0 | 115.8 | K158 | E156-K158 PolarHBondContact O-N 2.86Š|
| 157 | E | 60.2 | Low | 78.5 | Confident | 55 Ų | 55 | 29.5 Ų | 29.5 | 26% | 0.257 | 16% | 0.162 | S | C | . | . | trans | -72.3 | 68.9 | -178.1 | -64.7 | -176.7 | 147.2 | 0 | 0 | 112.5 | G155 E159 I160 | G155-E157 VanDerWaalsContact C-N 3.28Å; G155-E157 PolarHBondContact O-N 2.78Å; E157-E159 PolarHBondContact O-N 3.35Å; E157-I160 HydrophobicContact CB-CD1 4.2Å; E157-I160 HydrophobicContact CB-CG1 4.43Å; E157-I160 PolarHBondContact O-N 2.91Å | ||
| 158 | K | 63.5 | Low | 78.2 | Confident | 140 Ų | 140 | 29.6 Ų | 29.6 | 61% | 0.609 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -3.1 | -177.2 | -68.3 | -164.2 | 172.6 | -155.8 | 0 | 115.4 | E156 D191 | E156-K158 PolarHBondContact O-N 2.86Å; K158-D191 IonicContact NZ-OD1 3.14Å; K158-D191 PolarHBondContact NZ-OD1 2.84Å |
| 159 | E | 68.2 | Low | 77.7 | Confident | 114 Ų | 114 | 32 Ų | 32 | 53% | 0.533 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -18.3 | -179.3 | -59.3 | -167.2 | 166.1 | 0 | 0 | 113.5 | R69 E157 K176 H188 | R69-E159 IonicContact CZ-OE1 2.62Å; R69-E159 IonicContact NH2-OE1 3.18Å; R69-E159 PolarHBondContact NH2-OE1 2.56Å; R69-E159 IonicContact NH2-OE2 3.15Å; R69-E159 PolarHBondContact NH2-OE2 3.32Å; E157-E159 PolarHBondContact O-N 3.35Å; E159-K176 PolarHBondContact O-NZ 3.08Å; E159-H188 PolarHBondContact O-CE1 3.21Å |
| 160 | I | 77.8 | Confident | 76.9 | Confident | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -88.8 | 118.2 | -177.9 | -54.3 | -179.1 | 0 | 0 | 0 | 110 | P124 I125 R127 T151 E157 | P124-I160 HydrophobicContact CB-CD1 4.01Å; P124-I160 HydrophobicContact CG-CD1 4.25Å; P124-I160 HydrophobicContact CG-CG1 4.36Å; I125-I160 VanDerWaalsContact O-CG2 3.31Å; I125-I160 WeakPolarHBondContact O-CG2 3.46Å; R127-I160 HydrophobicContact CG-CB 4.05Å; R127-I160 HydrophobicContact CG-CD1 4.02Å; R127-I160 HydrophobicContact CG-CG2 3.83Å; T151-I160 HydrophobicContact CG2-CG2 3.87Å; E157-I160 HydrophobicContact CB-CD1 4.2Å; E157-I160 HydrophobicContact CB-CG1 4.43Å; E157-I160 PolarHBondContact O-N 2.91Å |
| 161 | A | 83.8 | Confident | 76.1 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.008 | 24% | 0.241 | C | C | . | . | trans | -70.7 | 137.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | V163 V187 | A161-V163 VanDerWaalsContact C-N 3.28Å; A161-V163 PolarHBondContact O-N 2.96Å; A161-V187 CarbonylContact C-O 3.47Å | ||
| 162 | A | 85.2 | Confident | 75.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -63 | -37 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | A150 T151 V187 F189 Y198 F337 | A150-A162 CarbonylContact C-O 3.56Å; A150-A162 WeakPolarHBondContact CA-O 3.39Å; A150-A162 WeakPolarHBondContact CB-O 3.38Å; T151-A162 PolarHBondContact N-O 2.91Å; A162-V187 WeakPolarHBondContact CB-O 3.27Å; A162-V187 PolarHBondContact N-O 3.26Å; A162-F189 HydrophobicContact CB-CD2 3.83Å; A162-F189 HydrophobicContact CB-CE1 4.12Å; A162-F189 HydrophobicContact CB-CE2 3.34Å; A162-F189 HydrophobicContact CB-CG 4.41Å; A162-F189 HydrophobicContact CB-CZ 3.51Å; A162-Y198 PolarHBondContact O-OH 3.47Å; A162-F337 HydrophobicContact CB-CE1 3.6Å; A162-F337 HydrophobicContact CB-CZ 3.86Å |
| 163 | V | 89.5 | Confident | 75.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 129.1 | 167.2 | -177.5 | 0 | 0 | 0 | 0 | 106.9 | A149 A150 A161 G186 V187 Y198 F210 I229 Y238 Y241 | A149-V163 CarbonylContact O-C 3.55Å; A149-V163 WeakPolarHBondContact O-CA 3.46Å; A150-V163 HydrophobicContact CB-CG2 4Å; A161-V163 VanDerWaalsContact C-N 3.28Å; A161-V163 PolarHBondContact O-N 2.96Å; V163-G186 CarbonylContact O-C 3.54Å; V163-G186 WeakPolarHBondContact O-CA 3.34Å; V163-V187 PolarHBondContact O-N 2.8Å; V163-Y198 HydrophobicContact CG2-CE1 3.71Å; V163-F210 HydrophobicContact CG1-CD2 3.89Å; V163-F210 HydrophobicContact CG1-CE2 3.39Å; V163-F210 HydrophobicContact CG1-CZ 3.77Å; V163-I229 HydrophobicContact CG2-CD1 4.41Å; V163-Y238 HydrophobicContact CG1-CE1 4.41Å; V163-Y241 HydrophobicContact CB-CE2 4.03Å; V163-Y241 HydrophobicContact CG1-CE2 4.27Å; V163-Y241 HydrophobicContact CG2-CE2 4.03Å |
| 164 | G | 90.3 | Very high | 76.2 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 156.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | A149 T185 Y238 | A149-G164 PolarHBondContact N-O 3.2Å; A149-G164 PolarHBondContact O-N 2.78Å; G164-T185 WeakPolarHBondContact CA-O 3.25Å; G164-Y238 WeakPolarHBondContact CA-OH 3.43Å |
| 165 | T | 92.2 | Very high | 77.7 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.3 | 175.4 | -56.5 | 0 | 0 | 0 | 0 | 109.7 | A146 Y148 K176 V177 T185 Y238 | A146-T165 HydrophobicContact CB-CG2 3.39Å; Y148-T165 HydrophobicContact CD1-CG2 4.19Å; Y148-T165 WeakPolarHBondContact CD1-OG1 3.4Å; Y148-T165 HydrophobicContact CD2-CG2 4.46Å; Y148-T165 HydrophobicContact CE1-CG2 3.86Å; Y148-T165 WeakPolarHBondContact CE1-OG1 3.49Å; Y148-T165 HydrophobicContact CE2-CG2 4.14Å; Y148-T165 HydrophobicContact CG-CG2 4.48Å; T165-K176 WeakPolarHBondContact O-CA 2.96Å; T165-V177 HydrophobicContact CG2-CG2 3.88Å; T165-V177 PolarHBondContact O-N 3.28Å; T165-V177 VanDerWaalsContact O-N 3.13Å; T165-T185 PolarHBondContact N-O 3.02Å; T165-T185 PolarHBondContact O-OG1 3.03Å; T165-Y238 PolarHBondContact N-OH 2.93Å; T165-Y238 VanDerWaalsContact N-OH 3.16Å; T165-Y238 PolarHBondContact OG1-OH 2.85Å |
| 166 | Y | 89.7 | Confident | 79.3 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 2% | 0.02 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 142.9 | -175.1 | -54.1 | -94 | 0 | 0 | 0 | 110.1 | I125 A146 F147 A149 M174 R175 K176 | I125-Y166 HydrophobicContact CD1-CG 4.42Å; I125-Y166 HydrophobicContact CG1-CD1 4.33Å; I125-Y166 HydrophobicContact CG1-CE1 4.2Å; I125-Y166 HydrophobicContact CG2-CD2 4.15Å; I125-Y166 HydrophobicContact CG2-CE2 3.65Å; A146-Y166 CarbonylContact C-O 3.56Å; A146-Y166 WeakPolarHBondContact CA-O 3.39Å; A146-Y166 WeakPolarHBondContact CB-O 3.43Å; F147-Y166 HydrophobicContact CD1-CD2 4.32Å; F147-Y166 PolarHBondContact N-O 3Å; F147-Y166 PolarHBondContact O-N 3.37Å; A149-Y166 HydrophobicContact CB-CD2 4.39Å; A149-Y166 HydrophobicContact CB-CE2 4.07Å; Y166-M174 VanDerWaalsContact CD1-O 3.25Å; Y166-M174 WeakPolarHBondContact CD1-O 3.39Å; Y166-R175 CarbonylContact C-O 3.58Å; Y166-R175 VanDerWaalsContact CA-O 3.27Å; Y166-R175 WeakPolarHBondContact CA-O 3.4Å; Y166-K176 HydrophobicContact CD1-CG 3.97Å; Y166-K176 HydrophobicContact CE1-CG 3.78Å |
| 167 | S | 88.6 | Confident | 80.8 | Confident | 10 Ų | 10 | 45 Ų | 45 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 147.9 | -174.8 | -169.4 | 0 | 0 | 0 | 0 | 112.3 | D169 M174 R175 | S167-D169 WeakPolarHBondContact OG-CB 3.44Å; S167-D169 PolarHBondContact OG-N 3.48Å; S167-M174 WeakPolarHBondContact O-CA 3.44Å; S167-M174 PolarHBondContact O-N 3.45Å; S167-R175 PolarHBondContact N-O 2.82Å |
| 168 | L | 86.8 | Confident | 81.9 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | trans | -107.5 | 10.2 | 169.4 | -65.3 | 171.1 | 0 | 0 | 0 | 112.7 | Y90 I97 M108 V137 E145 F147 M174 | Y90-L168 HydrophobicContact CD1-CD1 4.48Å; Y90-L168 HydrophobicContact CD2-CD1 4.14Å; Y90-L168 HydrophobicContact CE1-CB 4.01Å; Y90-L168 HydrophobicContact CE1-CD1 4.33Å; Y90-L168 HydrophobicContact CE2-CD1 4.03Å; Y90-L168 HydrophobicContact CG-CD1 4.39Å; I97-L168 HydrophobicContact CD1-CD2 3.92Å; M108-L168 HydrophobicContact CE-CD2 3.76Å; V137-L168 HydrophobicContact CB-CD1 4.25Å; V137-L168 HydrophobicContact CG1-CD1 3.52Å; V137-L168 HydrophobicContact CG2-CD1 3.69Å; E145-L168 HydrophobicContact CB-CD1 4.39Å; F147-L168 HydrophobicContact CB-CD1 4.46Å; F147-L168 HydrophobicContact CB-CD2 4.07Å; F147-L168 HydrophobicContact CB-CG 4.23Å; L168-M174 HydrophobicContact CD2-CE 3.8Å; L168-M174 HydrophobicContact CD2-SD 4.1Å | ||
| 169 | D | 82.4 | Confident | 82.7 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -66.7 | 141.1 | 166.3 | -77.1 | -40.6 | 0 | 0 | 0 | 110.8 | K144 S167 N171 N172 L173 | K144-D169 VanDerWaalsContact CD-OD1 3.31Å; K144-D169 WeakPolarHBondContact CD-OD1 3.23Å; K144-D169 VanDerWaalsContact CD-OD2 3.28Å; K144-D169 WeakPolarHBondContact CD-OD2 3.37Å; K144-D169 IonicContact NZ-OD1 2.69Å; K144-D169 PolarHBondContact NZ-OD1 3.25Å; K144-D169 IonicContact NZ-OD2 2.8Å; K144-D169 PolarHBondContact NZ-OD2 2.97Å; S167-D169 WeakPolarHBondContact OG-CB 3.44Å; S167-D169 PolarHBondContact OG-N 3.48Å; D169-N171 VanDerWaalsContact C-N 3.33Å; D169-N171 PolarHBondContact O-N 3.38Å; D169-N172 CarbonylContact O-C 3.46Å; D169-N172 PolarHBondContact O-N 2.75Å; D169-N172 VanDerWaalsContact O-N 3.13Å; D169-L173 VanDerWaalsContact O-CA 3.28Å; D169-L173 WeakPolarHBondContact O-CA 3.44Å; D169-L173 PolarHBondContact O-N 3.19Å |
| 170 | E | 75.3 | Confident | 83.1 | Confident | 134 Ų | 134 | 43.7 Ų | 43.7 | 63% | 0.626 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -54.7 | -48.5 | 177.8 | -66.7 | 171.1 | 177.1 | 0 | 0 | 111.5 | K93 N172 L173 | K93-E170 VanDerWaalsContact NZ-CD 3.29Å; K93-E170 IonicContact NZ-OE1 3.85Å; K93-E170 PolarHBondContact NZ-OE1 3.16Å; E170-N172 PolarHBondContact O-N 2.99Å; E170-N172 VanDerWaalsContact O-N 3.08Å; E170-L173 PolarHBondContact O-N 2.99Å |
| 171 | N | 74.7 | Confident | 82.7 | Confident | 144 Ų | 144 | 50.5 Ų | 50.5 | 77% | 0.77 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -66.5 | -14 | -176.5 | -57.7 | 4.3 | 0 | 0 | 0 | 114.2 | D169 | D169-N171 VanDerWaalsContact C-N 3.33Å; D169-N171 PolarHBondContact O-N 3.38Å |
| 172 | N | 76.8 | Confident | 81.9 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 40% | 0.401 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -140.3 | 33.7 | -176.4 | -73.4 | -64.1 | 0 | 0 | 0 | 111.5 | D169 E170 M174 R175 | D169-N172 CarbonylContact O-C 3.46Å; D169-N172 PolarHBondContact O-N 2.75Å; D169-N172 VanDerWaalsContact O-N 3.13Å; E170-N172 PolarHBondContact O-N 2.99Å; E170-N172 VanDerWaalsContact O-N 3.08Å; N172-M174 PolarHBondContact O-N 3.09Å; N172-M174 VanDerWaalsContact O-N 3.11Å; N172-R175 HydrophobicContact CB-CB 4.49Å; N172-R175 WeakPolarHBondContact O-CB 3.45Å; N172-R175 PolarHBondContact O-N 3.26Å |
| 173 | L | 79.2 | Confident | 81.5 | Confident | 19 Ų | 19 | 57.4 Ų | 57.4 | 10% | 0.099 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 119.4 | -168.3 | -161.5 | 69.9 | 0 | 0 | 0 | 111.7 | M108 E119 I121 D169 E170 R175 | M108-L173 HydrophobicContact CE-CD1 3.49Å; M108-L173 VanDerWaalsContact CE-CD1 3.49Å; M108-L173 HydrophobicContact CE-CD2 3.98Å; M108-L173 HydrophobicContact CE-CG 3.91Å; M108-L173 HydrophobicContact SD-CD1 4.26Å; M108-L173 HydrophobicContact SD-CD2 4.18Å; E119-L173 HydrophobicContact CB-CD2 4.29Å; E119-L173 VanDerWaalsContact CD-CD2 3.44Å; E119-L173 HydrophobicContact CG-CD2 4.43Å; E119-L173 WeakPolarHBondContact OE1-CD2 3.23Å; E119-L173 VanDerWaalsContact OE2-CD2 3.24Å; E119-L173 WeakPolarHBondContact OE2-CD2 3.46Å; I121-L173 HydrophobicContact CD1-CD2 4.33Å; I121-L173 HydrophobicContact CG1-CD2 4.15Å; I121-L173 HydrophobicContact CG1-CG 4.37Å; D169-L173 VanDerWaalsContact O-CA 3.28Å; D169-L173 WeakPolarHBondContact O-CA 3.44Å; D169-L173 PolarHBondContact O-N 3.19Å; E170-L173 PolarHBondContact O-N 2.99Å; L173-R175 PolarHBondContact O-N 3.19Å; L173-R175 VanDerWaalsContact O-N 3.16Å |
| 174 | M | 80.7 | Confident | 81.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 20.2 | -176.8 | -63.7 | -62.7 | -168.1 | 0 | 0 | 116.2 | I97 M108 I121 I125 F147 Y166 S167 L168 N172 | I97-M174 HydrophobicContact CB-CE 4.45Å; I97-M174 HydrophobicContact CD1-CE 3.77Å; I97-M174 HydrophobicContact CG1-CE 4.1Å; I97-M174 HydrophobicContact CG2-CE 3.51Å; M108-M174 HydrophobicContact CE-CE 3.98Å; I121-M174 HydrophobicContact CB-CB 4.26Å; I121-M174 HydrophobicContact CB-CG 4.37Å; I121-M174 HydrophobicContact CD1-CB 4.4Å; I121-M174 HydrophobicContact CD1-CG 3.63Å; I121-M174 HydrophobicContact CG1-CB 3.91Å; I121-M174 HydrophobicContact CG1-CG 3.68Å; I121-M174 HydrophobicContact CG2-CB 3.41Å; I121-M174 VanDerWaalsContact CG2-CB 3.41Å; I121-M174 HydrophobicContact CG2-CG 3.97Å; I125-M174 HydrophobicContact CD1-CB 3.82Å; I125-M174 HydrophobicContact CD1-CG 4.01Å; I125-M174 HydrophobicContact CD1-SD 3.8Å; F147-M174 HydrophobicContact CB-CE 4.07Å; F147-M174 HydrophobicContact CB-SD 3.67Å; F147-M174 HydrophobicContact CD1-CE 3.96Å; F147-M174 HydrophobicContact CD1-SD 3.62Å; F147-M174 HydrophobicContact CD2-CE 3.84Å; F147-M174 HydrophobicContact CD2-SD 4.41Å; F147-M174 HydrophobicContact CE1-CE 4.29Å; F147-M174 HydrophobicContact CE1-SD 4.31Å; F147-M174 HydrophobicContact CE2-CE 4.18Å; F147-M174 HydrophobicContact CG-CE 3.71Å; F147-M174 HydrophobicContact CG-SD 3.67Å; F147-M174 HydrophobicContact CZ-CE 4.39Å; Y166-M174 VanDerWaalsContact CD1-O 3.25Å; Y166-M174 WeakPolarHBondContact CD1-O 3.39Å; S167-M174 WeakPolarHBondContact O-CA 3.44Å; S167-M174 PolarHBondContact O-N 3.45Å; L168-M174 HydrophobicContact CD2-CE 3.8Å; L168-M174 HydrophobicContact CD2-SD 4.1Å; N172-M174 PolarHBondContact O-N 3.09Å; N172-M174 VanDerWaalsContact O-N 3.11Å |
| 175 | R | 84 | Confident | 81.2 | Confident | 126 Ų | 126 | 58.6 Ų | 58.6 | 48% | 0.475 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -87.1 | 152.5 | 167.3 | -49.5 | -169.7 | 77.9 | 178.8 | 9.1 | 109.7 | E123 Y166 S167 N172 L173 V177 | E123-R175 IonicContact OE1-CZ 3.71Å; E123-R175 IonicContact OE1-NE 2.73Å; E123-R175 PolarHBondContact OE1-NE 3.23Å; E123-R175 IonicContact OE1-NH2 3.23Å; E123-R175 PolarHBondContact OE1-NH2 3.03Å; Y166-R175 CarbonylContact C-O 3.58Å; Y166-R175 VanDerWaalsContact CA-O 3.27Å; Y166-R175 WeakPolarHBondContact CA-O 3.4Å; S167-R175 PolarHBondContact N-O 2.82Å; N172-R175 HydrophobicContact CB-CB 4.49Å; N172-R175 WeakPolarHBondContact O-CB 3.45Å; N172-R175 PolarHBondContact O-N 3.26Å; L173-R175 PolarHBondContact O-N 3.19Å; L173-R175 VanDerWaalsContact O-N 3.16Å; R175-V177 PolarHBondContact O-N 2.93Å |
| 176 | K | 84.9 | Confident | 81 | Confident | 29 Ų | 29 | 58.9 Ų | 58.9 | 13% | 0.126 | 30% | 0.3 | C | S | . | . | B | Isolated β-bridge | trans | -56.1 | 131 | 177.6 | -62.3 | -176.7 | -167.3 | 176.8 | 0 | 110.8 | E159 T165 Y166 H178 E184 H188 | E159-K176 PolarHBondContact O-NZ 3.08Å; T165-K176 WeakPolarHBondContact O-CA 2.96Å; Y166-K176 HydrophobicContact CD1-CG 3.97Å; Y166-K176 HydrophobicContact CE1-CG 3.78Å; K176-H178 PolarHBondContact O-N 3.04Å; K176-E184 WeakPolarHBondContact CD-OE1 3.41Å; K176-E184 WeakPolarHBondContact CD-OE2 3.41Å; K176-E184 WeakPolarHBondContact CE-OE1 3.42Å; K176-E184 IonicContact NZ-OE1 3.55Å; K176-E184 PolarHBondContact NZ-OE1 3.25Å; K176-E184 IonicContact NZ-OE2 3.42Å; K176-E184 PolarHBondContact NZ-OE2 3.29Å; K176-H188 PolarHBondContact NZ-CE1 3.32Å; K176-H188 PolarHBondContact NZ-NE2 3.13Å |
| 177 | V | 84.1 | Confident | 80.8 | Confident | 30 Ų | 30 | 59.1 Ų | 59.1 | 18% | 0.182 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -58.6 | -33 | -174.5 | 172.6 | 0 | 0 | 0 | 0 | 112.7 | P141 L142 A146 T165 R175 T185 | P141-V177 HydrophobicContact CB-CG1 4.12Å; P141-V177 HydrophobicContact CG-CG1 4.32Å; L142-V177 HydrophobicContact CD1-CG1 4.19Å; A146-V177 HydrophobicContact CB-CG2 4.13Å; T165-V177 HydrophobicContact CG2-CG2 3.88Å; T165-V177 PolarHBondContact O-N 3.28Å; T165-V177 VanDerWaalsContact O-N 3.13Å; R175-V177 PolarHBondContact O-N 2.93Å; V177-T185 HydrophobicContact CB-CG2 4.16Å; V177-T185 PolarHBondContact N-OG1 2.66Å |
| 178 | H | 82.7 | Confident | 80.5 | Confident | 61 Ų | 61 | 61.2 Ų | 61.2 | 28% | 0.282 | 31% | 0.311 | S | S | . | . | trans | -141.1 | 140.2 | 171.7 | -168.4 | 57.6 | 0 | 0 | 0 | 110.3 | K176 T180 E184 T185 R236 | K176-H178 PolarHBondContact O-N 3.04Å; H178-T180 VanDerWaalsContact NE2-CG2 3.25Å; H178-T180 WeakPolarHBondContact NE2-CG2 3.41Å; H178-E184 CarbonylContact O-C 3.51Å; H178-E184 WeakPolarHBondContact O-CA 3.18Å; H178-E184 WeakPolarHBondContact O-CB 3.36Å; H178-T185 HydrophobicContact CB-CG2 3.9Å; H178-T185 PolarHBondContact N-OG1 3.31Å; H178-T185 PolarHBondContact O-N 3.4Å; H178-T185 PolarHBondContact O-OG1 2.8Å; H178-R236 HydrophobicContact CB-CB 4.19Å; H178-R236 WeakPolarHBondContact CB-O 3.22Å; H178-R236 PolarHBondContact CD2-O 3.06Å; H178-R236 VanDerWaalsContact CD2-O 3.3Å | ||
| 179 | R | 79.7 | Confident | 79.8 | Confident | 161 Ų | 161 | 62.2 Ų | 62.2 | 61% | 0.608 | 32% | 0.315 | S | S | * | . | B | Isolated β-bridge | trans | -149.4 | 121.6 | 174.3 | -171.3 | 175.3 | -173.6 | -179 | 1.1 | 109 | E184 | R179-E184 HydrophobicContact CB-CB 4.24Å; R179-E184 HydrophobicContact CG-CB 4.13Å; R179-E184 IonicContact NE-OE2 3.73Å |
| 180 | T | 77.2 | Confident | 79 | Confident | 59 Ų | 59 | 65 Ų | 65 | 36% | 0.362 | 33% | 0.327 | S | S | . | . | trans | -118.3 | -170.6 | 172.4 | 76.4 | 0 | 0 | 0 | 0 | 109 | H178 T182 T183 | H178-T180 VanDerWaalsContact NE2-CG2 3.25Å; H178-T180 WeakPolarHBondContact NE2-CG2 3.41Å; T180-T182 VanDerWaalsContact C-N 3.32Å; T180-T182 PolarHBondContact OG1-N 3.04Å; T180-T183 PolarHBondContact N-O 2.89Å; T180-T183 PolarHBondContact OG1-N 3.09Å; T180-T183 PolarHBondContact OG1-O 3.34Å; T180-T183 VanDerWaalsContact OG1-O 3.12Å; T180-T183 PolarHBondContact OG1-OG1 3.29Å | ||
| 181 | V | 69.9 | Low | 78.3 | Confident | 152 Ų | 152 | 64 Ų | 64 | 92% | 0.921 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -74.2 | -24.7 | 174.2 | -175.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 182 | T | 67 | Low | 77.5 | Confident | 128 Ų | 128 | 62.2 Ų | 62.2 | 79% | 0.785 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -118.5 | -21.5 | -172.1 | 53.4 | 0 | 0 | 0 | 0 | 114.4 | T180 | T180-T182 VanDerWaalsContact C-N 3.32Å; T180-T182 PolarHBondContact OG1-N 3.04Å |
| 183 | T | 76.8 | Confident | 76.6 | Confident | 18 Ų | 18 | 59.9 Ų | 59.9 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | trans | -136.2 | 153 | -176.8 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | T180 N237 Y239 | T180-T183 PolarHBondContact N-O 2.89Å; T180-T183 PolarHBondContact OG1-N 3.09Å; T180-T183 PolarHBondContact OG1-O 3.34Å; T180-T183 VanDerWaalsContact OG1-O 3.12Å; T180-T183 PolarHBondContact OG1-OG1 3.29Å; T183-N237 WeakPolarHBondContact CB-OD1 2.91Å; T183-N237 HydrophobicContact CG2-CB 4.22Å; T183-N237 PolarHBondContact OG1-OD1 3.01Å; T183-Y239 HydrophobicContact CG2-CE1 3.89Å; T183-Y239 WeakPolarHBondContact CG2-OH 3.26Å | ||
| 184 | E | 84.5 | Confident | 75.8 | Confident | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -153.4 | 167.5 | 167.4 | 52.9 | 154.9 | -116.7 | 0 | 0 | 110.1 | K176 H178 R179 G186 H188 | K176-E184 WeakPolarHBondContact CD-OE1 3.41Å; K176-E184 WeakPolarHBondContact CD-OE2 3.41Å; K176-E184 WeakPolarHBondContact CE-OE1 3.42Å; K176-E184 IonicContact NZ-OE1 3.55Å; K176-E184 PolarHBondContact NZ-OE1 3.25Å; K176-E184 IonicContact NZ-OE2 3.42Å; K176-E184 PolarHBondContact NZ-OE2 3.29Å; H178-E184 CarbonylContact O-C 3.51Å; H178-E184 WeakPolarHBondContact O-CA 3.18Å; H178-E184 WeakPolarHBondContact O-CB 3.36Å; R179-E184 HydrophobicContact CB-CB 4.24Å; R179-E184 HydrophobicContact CG-CB 4.13Å; R179-E184 IonicContact NE-OE2 3.73Å; E184-G186 PolarHBondContact O-N 3Å; E184-H188 VanDerWaalsContact CD-NE2 3.27Å; E184-H188 IonicContact OE1-CD2 3.44Å; E184-H188 IonicContact OE1-CE1 2.93Å; E184-H188 IonicContact OE1-NE2 3.61Å; E184-H188 PolarHBondContact OE1-NE2 3.21Å; E184-H188 IonicContact OE2-NE2 2.69Å |
| 185 | T | 87.5 | Confident | 75.3 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -77 | 60.6 | 172.3 | 48.7 | 0 | 0 | 0 | 0 | 111.9 | P141 G164 T165 V177 H178 R236 Y238 | P141-T185 HydrophobicContact CG-CG2 4.5Å; G164-T185 WeakPolarHBondContact CA-O 3.25Å; T165-T185 PolarHBondContact N-O 3.02Å; T165-T185 PolarHBondContact O-OG1 3.03Å; V177-T185 HydrophobicContact CB-CG2 4.16Å; V177-T185 PolarHBondContact N-OG1 2.66Å; H178-T185 HydrophobicContact CB-CG2 3.9Å; H178-T185 PolarHBondContact N-OG1 3.31Å; H178-T185 PolarHBondContact O-N 3.4Å; H178-T185 PolarHBondContact O-OG1 2.8Å; T185-R236 WeakPolarHBondContact CG2-O 3.06Å; T185-Y238 HydrophobicContact CG2-CD2 4.16Å; T185-Y238 HydrophobicContact CG2-CE2 4.2Å |
| 186 | G | 88.2 | Confident | 75.2 | Confident | 6 Ų | 6 | 58 Ų | 58 | 6% | 0.062 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -173.7 | 161.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V163 E184 | V163-G186 CarbonylContact O-C 3.54Å; V163-G186 WeakPolarHBondContact O-CA 3.34Å; E184-G186 PolarHBondContact O-N 3Å |
| 187 | V | 85.8 | Confident | 75.3 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 132.7 | 172.5 | -164.6 | 0 | 0 | 0 | 0 | 109.7 | A161 A162 V163 Y238 Y241 F337 | A161-V187 CarbonylContact C-O 3.47Å; A162-V187 WeakPolarHBondContact CB-O 3.27Å; A162-V187 PolarHBondContact N-O 3.26Å; V163-V187 PolarHBondContact O-N 2.8Å; V187-Y238 HydrophobicContact CG2-CD1 3.69Å; V187-Y238 HydrophobicContact CG2-CE1 4.18Å; V187-Y241 HydrophobicContact CG2-CD2 3.5Å; V187-Y241 HydrophobicContact CG2-CE2 3.78Å; V187-Y241 HydrophobicContact CG2-CG 3.93Å; V187-F337 HydrophobicContact CB-CE1 4.48Å; V187-F337 HydrophobicContact CB-CE2 4.48Å; V187-F337 HydrophobicContact CB-CZ 4.43Å; V187-F337 HydrophobicContact CG1-CB 3.8Å; V187-F337 HydrophobicContact CG1-CD1 3.65Å; V187-F337 HydrophobicContact CG1-CD2 3.6Å; V187-F337 HydrophobicContact CG1-CE1 4Å; V187-F337 HydrophobicContact CG1-CE2 3.96Å; V187-F337 HydrophobicContact CG1-CG 3.42Å; V187-F337 VanDerWaalsContact CG1-CG 3.42Å; V187-F337 HydrophobicContact CG1-CZ 4.14Å |
| 188 | H | 81.7 | Confident | 75.7 | Confident | 55 Ų | 55 | 55.5 Ų | 55.5 | 26% | 0.255 | 30% | 0.302 | S | S | . | . | trans | -107.7 | 146.3 | 179.7 | -66.5 | -76.4 | 0 | 0 | 0 | 111.9 | E159 K176 E184 F337 | E159-H188 PolarHBondContact O-CE1 3.21Å; K176-H188 PolarHBondContact NZ-CE1 3.32Å; K176-H188 PolarHBondContact NZ-NE2 3.13Å; E184-H188 VanDerWaalsContact CD-NE2 3.27Å; E184-H188 IonicContact OE1-CD2 3.44Å; E184-H188 IonicContact OE1-CE1 2.93Å; E184-H188 IonicContact OE1-NE2 3.61Å; E184-H188 PolarHBondContact OE1-NE2 3.21Å; E184-H188 IonicContact OE2-NE2 2.69Å; H188-F337 VanDerWaalsContact O-CD1 3.27Å; H188-F337 WeakPolarHBondContact O-CD1 3.42Å | ||
| 189 | F | 73.8 | Confident | 76.1 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 11% | 0.105 | 30% | 0.296 | C | S | . | . | trans | -67.2 | 137.3 | 165.9 | -62.6 | -68.9 | 0 | 0 | 0 | 110.6 | A162 P193 I196 F337 | A162-F189 HydrophobicContact CB-CD2 3.83Å; A162-F189 HydrophobicContact CB-CE1 4.12Å; A162-F189 HydrophobicContact CB-CE2 3.34Å; A162-F189 HydrophobicContact CB-CG 4.41Å; A162-F189 HydrophobicContact CB-CZ 3.51Å; F189-P193 HydrophobicContact CB-CB 3.73Å; F189-P193 HydrophobicContact CD1-CB 3.78Å; F189-P193 HydrophobicContact CD2-CB 3.63Å; F189-P193 HydrophobicContact CE1-CB 4.23Å; F189-P193 HydrophobicContact CE2-CB 4.1Å; F189-P193 HydrophobicContact CG-CB 3.45Å; F189-P193 VanDerWaalsContact CG-CB 3.45Å; F189-P193 HydrophobicContact CZ-CB 4.38Å; F189-I196 HydrophobicContact CE1-CD1 3.84Å; F189-I196 HydrophobicContact CE1-CG1 4.34Å; F189-I196 HydrophobicContact CZ-CD1 4.39Å; F189-F337 AromaticContact CD1-CD1 3.93Å; F189-F337 HydrophobicContact CD1-CD1 3.93Å; F189-F337 AromaticContact CD1-CE1 3.58Å; F189-F337 HydrophobicContact CD1-CE1 3.58Å; F189-F337 HydrophobicContact CE1-CD1 4.36Å; F189-F337 AromaticContact CE1-CE1 3.61Å; F189-F337 HydrophobicContact CE1-CE1 3.61Å; F189-F337 HydrophobicContact CE1-CZ 4.25Å; F189-F337 HydrophobicContact CG-CE1 4.22Å; F189-F337 HydrophobicContact CZ-CE1 4.28Å | ||
| 190 | Q | 64.4 | Low | 76.8 | Confident | 110 Ų | 110 | 49.3 Ų | 49.3 | 51% | 0.514 | 28% | 0.278 | S | S | . | . | trans | -76.7 | -53.3 | -171.7 | -164.3 | 169.3 | -2.4 | 0 | 0 | 112.4 | F337 P339 | Q190-F337 PolarHBondContact OE1-O 3.13Å; Q190-P339 VanDerWaalsContact OE1-CD 3.23Å | ||
| 191 | D | 60.1 | Low | 77.6 | Confident | 112 Ų | 112 | 47 Ų | 47 | 60% | 0.599 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -159.4 | 151.1 | 169.8 | -81.4 | -54.2 | 0 | 0 | 0 | 109.2 | K158 | K158-D191 IonicContact NZ-OD1 3.14Å; K158-D191 PolarHBondContact NZ-OD1 2.84Å |
| 192 | S | 57.9 | Low | 78.7 | Confident | 108 Ų | 108 | 40.2 Ų | 40.2 | 76% | 0.755 | 23% | 0.225 | S | C | * | . | S | Bend | trans | 43.5 | 68.3 | 179.6 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 193 | P | 58.4 | Low | 80 | Confident | 26 Ų | 26 | 36.3 Ų | 36.3 | 17% | 0.169 | 20% | 0.202 | C | C | . | . | trans | -54.9 | 132.3 | -170 | 24.8 | -36.7 | 0 | 0 | 0 | 111.9 | G153 G154 F189 | G153-P193 WeakPolarHBondContact O-CB 3.48Å; G153-P193 WeakPolarHBondContact O-CG 3.29Å; G154-P193 WeakPolarHBondContact O-CG 3.42Å; F189-P193 HydrophobicContact CB-CB 3.73Å; F189-P193 HydrophobicContact CD1-CB 3.78Å; F189-P193 HydrophobicContact CD2-CB 3.63Å; F189-P193 HydrophobicContact CE1-CB 4.23Å; F189-P193 HydrophobicContact CE2-CB 4.1Å; F189-P193 HydrophobicContact CG-CB 3.45Å; F189-P193 VanDerWaalsContact CG-CB 3.45Å; F189-P193 HydrophobicContact CZ-CB 4.38Å | ||
| 194 | P | 62.1 | Low | 80.8 | Confident | 38 Ų | 38 | 35.8 Ų | 35.8 | 25% | 0.247 | 20% | 0.199 | C | C | . | . | trans | -65.6 | 149.6 | 169.6 | 22.5 | -24 | 0 | 0 | 0 | 109.7 | I196 P215 H336 | P194-I196 HydrophobicContact CG-CD1 4.43Å; P194-I196 HydrophobicContact CG-CG1 4.27Å; P194-I196 PolarHBondContact O-N 3.14Å; P194-P215 HydrophobicContact CB-CG 3.84Å; P194-H336 HydrophobicContact CG-CB 3.41Å; P194-H336 VanDerWaalsContact CG-CB 3.41Å | ||
| 195 | D | 70.8 | Confident | 80.9 | Confident | 66 Ų | 66 | 39.4 Ų | 39.4 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | trans | -69.1 | 81.5 | 176.8 | 166.3 | 55.3 | 0 | 0 | 0 | 110.1 | Y224 N298 | D195-Y224 WeakPolarHBondContact CB-OH 3.34Å; D195-Y224 WeakPolarHBondContact O-CE1 3.47Å; D195-Y224 PolarHBondContact O-OH 3.17Å; D195-Y224 PolarHBondContact OD2-OH 3.32Å; D195-N298 PolarHBondContact OD2-ND2 3.43Å | ||
| 196 | I | 81.9 | Confident | 80.9 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -87.5 | 122.2 | 173.9 | -60.2 | -171.5 | 0 | 0 | 0 | 108.5 | S152 F189 P194 Y198 R213 A214 H336 | S152-I196 WeakPolarHBondContact CB-O 3.04Å; F189-I196 HydrophobicContact CE1-CD1 3.84Å; F189-I196 HydrophobicContact CE1-CG1 4.34Å; F189-I196 HydrophobicContact CZ-CD1 4.39Å; P194-I196 HydrophobicContact CG-CD1 4.43Å; P194-I196 HydrophobicContact CG-CG1 4.27Å; P194-I196 PolarHBondContact O-N 3.14Å; I196-Y198 HydrophobicContact CB-CE2 4.42Å; I196-Y198 HydrophobicContact CG2-CD2 4.41Å; I196-Y198 HydrophobicContact CG2-CE1 4.31Å; I196-Y198 HydrophobicContact CG2-CE2 3.91Å; I196-R213 CarbonylContact C-O 3.59Å; I196-R213 VanDerWaalsContact CA-O 3.31Å; I196-R213 WeakPolarHBondContact CA-O 3.06Å; I196-A214 HydrophobicContact CD1-CB 4.26Å; I196-A214 HydrophobicContact CG1-CB 4.09Å; I196-H336 HydrophobicContact CD1-CB 4.16Å; I196-H336 WeakPolarHBondContact CD1-CD2 3.22Å |
| 197 | A | 87.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 43 Ų | 43 | 2% | 0.017 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 120.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T132 I199 S212 R213 | T132-A197 HydrophobicContact CG2-CB 4.02Å; T132-A197 VanDerWaalsContact OG1-CA 3.27Å; T132-A197 WeakPolarHBondContact OG1-CA 3.37Å; A197-I199 HydrophobicContact CB-CD1 4.18Å; A197-S212 CarbonylContact O-C 3.59Å; A197-S212 WeakPolarHBondContact O-CA 3.19Å; A197-R213 HydrophobicContact CB-CB 4.32Å; A197-R213 PolarHBondContact N-O 2.81Å; A197-R213 PolarHBondContact O-N 3.4Å |
| 198 | Y | 90.9 | Very high | 81.6 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 2% | 0.02 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 119.3 | 177.2 | -65.4 | -84.5 | 0 | 0 | 0 | 110.8 | T132 V134 A150 T151 A162 V163 I196 I229 | T132-Y198 WeakPolarHBondContact CB-O 3.45Å; T132-Y198 PolarHBondContact OG1-N 3.19Å; V134-Y198 WeakPolarHBondContact CG2-O 3.25Å; A150-Y198 HydrophobicContact CB-CD1 3.52Å; A150-Y198 HydrophobicContact CB-CD2 4.2Å; A150-Y198 HydrophobicContact CB-CE1 3.72Å; A150-Y198 HydrophobicContact CB-CE2 4.37Å; A150-Y198 HydrophobicContact CB-CG 3.77Å; T151-Y198 WeakPolarHBondContact O-CE2 3.27Å; A162-Y198 PolarHBondContact O-OH 3.47Å; V163-Y198 HydrophobicContact CG2-CE1 3.71Å; I196-Y198 HydrophobicContact CB-CE2 4.42Å; I196-Y198 HydrophobicContact CG2-CD2 4.41Å; I196-Y198 HydrophobicContact CG2-CE1 4.31Å; I196-Y198 HydrophobicContact CG2-CE2 3.91Å; Y198-I229 HydrophobicContact CD1-CD1 4.38Å; Y198-I229 HydrophobicContact CE1-CD1 3.7Å |
| 199 | I | 91.3 | Very high | 82.2 | Confident | 32 Ų | 32 | 39.9 Ų | 39.9 | 16% | 0.164 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | -44.9 | -166.1 | -52.7 | -56.4 | 0 | 0 | 0 | 112.3 | A197 I211 R213 T261 | A197-I199 HydrophobicContact CB-CD1 4.18Å; I199-I211 HydrophobicContact CB-CG2 4.33Å; I199-I211 PolarHBondContact N-O 3.3Å; I199-R213 HydrophobicContact CD1-CG 4.26Å; I199-R213 HydrophobicContact CG1-CG 4.13Å; I199-T261 WeakPolarHBondContact CG2-O 3.32Å |
| 200 | Y | 94.5 | Very high | 83.3 | Confident | 59 Ų | 59 | 38.8 Ų | 38.8 | 23% | 0.231 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 161 | -177.1 | -173.9 | -116.6 | 0 | 0 | 0 | 110.5 | F202 F210 I211 A263 L265 | Y200-F202 AromaticContact CD1-CD1 3.63Å; Y200-F202 HydrophobicContact CD1-CD1 3.63Å; Y200-F202 HydrophobicContact CD1-CE1 4.24Å; Y200-F202 HydrophobicContact CE1-CB 4.02Å; Y200-F202 AromaticContact CE1-CD1 3.49Å; Y200-F202 HydrophobicContact CE1-CD1 3.49Å; Y200-F202 VanDerWaalsContact CE1-CD1 3.49Å; Y200-F202 HydrophobicContact CE1-CE1 4.33Å; Y200-F202 HydrophobicContact CE1-CG 4.09Å; Y200-F210 CarbonylContact O-C 3.22Å; Y200-F210 WeakPolarHBondContact O-CA 3.2Å; Y200-I211 HydrophobicContact CD1-CD1 4.34Å; Y200-I211 PolarHBondContact O-N 2.8Å; Y200-A263 HydrophobicContact CD1-CB 3.86Å; Y200-A263 WeakPolarHBondContact CD2-O 3.31Å; Y200-A263 HydrophobicContact CG-CB 4.07Å; Y200-L265 HydrophobicContact CE1-CB 4.33Å; Y200-L265 PolarHBondContact OH-N 3.11Å |
| 201 | G | 93.7 | Very high | 84.7 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 145.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | F136 Y209 | F136-G201 VanDerWaalsContact CD1-C 3.5Å; G201-Y209 CarbonylContact C-O 3.34Å; G201-Y209 WeakPolarHBondContact CA-O 2.94Å |
| 202 | F | 95 | Very high | 86.2 | Confident | 10 Ų | 10 | 28.3 Ų | 28.3 | 4% | 0.044 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.7 | 160.9 | -170.4 | 61.4 | -88.2 | 0 | 0 | 0 | 110.9 | F136 Y200 Y209 I211 L265 L285 L311 | F136-F202 WeakPolarHBondContact CZ-O 3.42Å; Y200-F202 AromaticContact CD1-CD1 3.63Å; Y200-F202 HydrophobicContact CD1-CD1 3.63Å; Y200-F202 HydrophobicContact CD1-CE1 4.24Å; Y200-F202 HydrophobicContact CE1-CB 4.02Å; Y200-F202 AromaticContact CE1-CD1 3.49Å; Y200-F202 HydrophobicContact CE1-CD1 3.49Å; Y200-F202 VanDerWaalsContact CE1-CD1 3.49Å; Y200-F202 HydrophobicContact CE1-CE1 4.33Å; Y200-F202 HydrophobicContact CE1-CG 4.09Å; F202-Y209 AromaticContact CD2-CD2 3.81Å; F202-Y209 HydrophobicContact CD2-CD2 3.81Å; F202-Y209 HydrophobicContact CD2-CG 4.24Å; F202-Y209 HydrophobicContact CE1-CG 4.49Å; F202-Y209 HydrophobicContact CE2-CD1 4.37Å; F202-Y209 AromaticContact CE2-CD2 3.37Å; F202-Y209 HydrophobicContact CE2-CD2 3.37Å; F202-Y209 HydrophobicContact CE2-CE2 4.07Å; F202-Y209 AromaticContact CE2-CG 3.56Å; F202-Y209 HydrophobicContact CE2-CG 3.56Å; F202-Y209 VanDerWaalsContact CZ-CB 3.47Å; F202-Y209 HydrophobicContact CZ-CD1 4.31Å; F202-Y209 HydrophobicContact CZ-CD2 4.04Å; F202-Y209 AromaticContact CZ-CG 3.72Å; F202-Y209 HydrophobicContact CZ-CG 3.72Å; F202-Y209 PolarHBondContact N-O 3.33Å; F202-Y209 PolarHBondContact O-N 3.01Å; F202-I211 HydrophobicContact CE1-CD1 4.4Å; F202-L265 HydrophobicContact CB-CB 4.31Å; F202-L265 HydrophobicContact CB-CD2 4.19Å; F202-L265 HydrophobicContact CD2-CB 4.38Å; F202-L265 HydrophobicContact CD2-CD1 3.77Å; F202-L265 HydrophobicContact CD2-CD2 3.71Å; F202-L265 HydrophobicContact CD2-CG 4.16Å; F202-L265 HydrophobicContact CE2-CD1 3.72Å; F202-L265 HydrophobicContact CE2-CD2 4.45Å; F202-L265 HydrophobicContact CG-CB 4.23Å; F202-L265 HydrophobicContact CG-CD1 4.38Å; F202-L265 HydrophobicContact CG-CD2 4.19Å; F202-L265 HydrophobicContact CZ-CD1 4.3Å; F202-L285 HydrophobicContact CD1-CD1 4.35Å; F202-L285 HydrophobicContact CE1-CD1 3.64Å; F202-L285 HydrophobicContact CE1-CD2 4.35Å; F202-L285 HydrophobicContact CZ-CD1 3.96Å; F202-L285 HydrophobicContact CZ-CD2 4.25Å; F202-L311 HydrophobicContact CE2-CD1 3.97Å; F202-L311 HydrophobicContact CE2-CG 4.47Å; F202-L311 HydrophobicContact CZ-CD1 4.25Å |
| 203 | S | 94 | Very high | 87.8 | Confident | 45 Ų | 45 | 24.3 Ų | 24.3 | 32% | 0.315 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 143.7 | 167.1 | 52.2 | 0 | 0 | 0 | 0 | 111.1 | A138 F207 | A138-S203 VanDerWaalsContact CB-CB 3.45Å; A138-S203 WeakPolarHBondContact CB-OG 3.25Å; S203-F207 WeakPolarHBondContact CA-O 2.94Å |
| 204 | S | 92.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 5% | 0.049 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 127.9 | 171 | 172.9 | 0 | 0 | 0 | 0 | 109.5 | N206 F207 D283 | S204-N206 PolarHBondContact O-N 3.21Å; S204-F207 PolarHBondContact N-O 2.92Å; S204-F207 PolarHBondContact O-N 3.09Å; S204-D283 WeakPolarHBondContact CB-OD2 3.1Å; S204-D283 PolarHBondContact OG-OD2 3.09Å |
| 205 | T | 86.3 | Confident | 89.7 | Confident | 100 Ų | 100 | 22.7 Ų | 22.7 | 61% | 0.613 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.8 | -118.2 | -172.2 | 66.7 | 0 | 0 | 0 | 0 | 111.8 | Q233 | T205-Q233 PolarHBondContact O-OE1 2.96Š|
| 206 | N | 88.5 | Confident | 89.7 | Confident | 62 Ų | 62 | 27.3 Ų | 27.3 | 33% | 0.332 | 14% | 0.138 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 12.9 | -175.3 | -63.3 | -1.5 | 0 | 0 | 0 | 113.4 | S204 Q233 | S204-N206 PolarHBondContact O-N 3.21Å; N206-Q233 VanDerWaalsContact C-CD 3.47Å; N206-Q233 VanDerWaalsContact CA-OE1 3.31Å; N206-Q233 WeakPolarHBondContact O-CB 3.31Å; N206-Q233 WeakPolarHBondContact O-CG 3.28Å; N206-Q233 PolarHBondContact O-N 2.64Å |
| 207 | F | 92.7 | Very high | 88.9 | Confident | 20 Ų | 20 | 29.8 Ų | 29.8 | 9% | 0.088 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 146.2 | -170 | -58.6 | -83.2 | 0 | 0 | 0 | 112.4 | S203 S204 Y209 R230 V231 I361 | S203-F207 WeakPolarHBondContact CA-O 2.94Å; S204-F207 PolarHBondContact N-O 2.92Å; S204-F207 PolarHBondContact O-N 3.09Å; F207-Y209 HydrophobicContact CB-CD2 4.33Å; F207-Y209 HydrophobicContact CB-CE1 4.48Å; F207-Y209 HydrophobicContact CB-CE2 3.51Å; F207-Y209 WeakPolarHBondContact CB-OH 3.27Å; F207-Y209 WeakPolarHBondContact O-CE2 2.74Å; F207-R230 HydrophobicContact CB-CG 4.03Å; F207-R230 HydrophobicContact CD1-CG 3.97Å; F207-R230 HydrophobicContact CG-CG 4.21Å; F207-V231 WeakPolarHBondContact CA-O 2.86Å; F207-I361 HydrophobicContact CE1-CG2 4.17Å; F207-I361 HydrophobicContact CZ-CG2 3.82Å |
| 208 | S | 94.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 134.3 | 172.2 | -71.8 | 0 | 0 | 0 | 0 | 109.4 | Y148 R230 V231 | Y148-S208 WeakPolarHBondContact CE1-OG 3.36Å; Y148-S208 WeakPolarHBondContact CE2-OG 3.26Å; Y148-S208 VanDerWaalsContact CZ-OG 3.23Å; S208-R230 WeakPolarHBondContact O-CA 2.93Å; S208-V231 PolarHBondContact N-O 2.98Å; S208-V231 PolarHBondContact O-N 2.7Å |
| 209 | Y | 96 | Very high | 85.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 149.3 | -171.9 | -56.5 | -100.6 | 0 | 0 | 0 | 111.5 | G201 F202 F207 V228 I229 R230 L311 N315 | G201-Y209 CarbonylContact C-O 3.34Å; G201-Y209 WeakPolarHBondContact CA-O 2.94Å; F202-Y209 AromaticContact CD2-CD2 3.81Å; F202-Y209 HydrophobicContact CD2-CD2 3.81Å; F202-Y209 HydrophobicContact CD2-CG 4.24Å; F202-Y209 HydrophobicContact CE1-CG 4.49Å; F202-Y209 HydrophobicContact CE2-CD1 4.37Å; F202-Y209 AromaticContact CE2-CD2 3.37Å; F202-Y209 HydrophobicContact CE2-CD2 3.37Å; F202-Y209 HydrophobicContact CE2-CE2 4.07Å; F202-Y209 AromaticContact CE2-CG 3.56Å; F202-Y209 HydrophobicContact CE2-CG 3.56Å; F202-Y209 VanDerWaalsContact CZ-CB 3.47Å; F202-Y209 HydrophobicContact CZ-CD1 4.31Å; F202-Y209 HydrophobicContact CZ-CD2 4.04Å; F202-Y209 AromaticContact CZ-CG 3.72Å; F202-Y209 HydrophobicContact CZ-CG 3.72Å; F202-Y209 PolarHBondContact N-O 3.33Å; F202-Y209 PolarHBondContact O-N 3.01Å; F207-Y209 HydrophobicContact CB-CD2 4.33Å; F207-Y209 HydrophobicContact CB-CE1 4.48Å; F207-Y209 HydrophobicContact CB-CE2 3.51Å; F207-Y209 WeakPolarHBondContact CB-OH 3.27Å; F207-Y209 WeakPolarHBondContact O-CE2 2.74Å; Y209-V228 HydrophobicContact CD1-CG1 3.85Å; Y209-I229 CarbonylContact C-O 3.52Å; Y209-I229 WeakPolarHBondContact CA-O 3.21Å; Y209-R230 HydrophobicContact CD1-CB 3.94Å; Y209-R230 HydrophobicContact CD1-CG 3.86Å; Y209-R230 HydrophobicContact CE1-CB 4.05Å; Y209-R230 HydrophobicContact CE1-CG 3.56Å; Y209-L311 HydrophobicContact CE1-CD1 4.09Å; Y209-L311 HydrophobicContact CE2-CD1 4.34Å; Y209-N315 PolarHBondContact OH-ND2 3.08Å; Y209-N315 PolarHBondContact OH-OD1 3.33Å |
| 210 | F | 95.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 148.5 | 169.9 | -56.4 | -99.2 | 0 | 0 | 0 | 109.7 | V134 F136 A150 V163 Y200 V228 I229 | V134-F210 HydrophobicContact CB-CD1 4.43Å; V134-F210 HydrophobicContact CG1-CD1 4.01Å; V134-F210 HydrophobicContact CG1-CE1 4.32Å; F136-F210 HydrophobicContact CD1-CE1 4.43Å; F136-F210 HydrophobicContact CE1-CD1 4.11Å; F136-F210 AromaticContact CE1-CE1 3.65Å; F136-F210 HydrophobicContact CE1-CE1 3.65Å; F136-F210 HydrophobicContact CE1-CE2 4.39Å; F136-F210 AromaticContact CE1-CZ 3.84Å; F136-F210 HydrophobicContact CE1-CZ 3.84Å; F136-F210 HydrophobicContact CZ-CE1 4.45Å; F136-F210 HydrophobicContact CZ-CE2 4.45Å; F136-F210 HydrophobicContact CZ-CZ 4.19Å; A150-F210 HydrophobicContact CB-CD1 3.62Å; A150-F210 HydrophobicContact CB-CE1 3.59Å; A150-F210 HydrophobicContact CB-CG 4.36Å; A150-F210 HydrophobicContact CB-CZ 4.31Å; V163-F210 HydrophobicContact CG1-CD2 3.89Å; V163-F210 HydrophobicContact CG1-CE2 3.39Å; V163-F210 HydrophobicContact CG1-CZ 3.77Å; Y200-F210 CarbonylContact O-C 3.22Å; Y200-F210 WeakPolarHBondContact O-CA 3.2Å; F210-V228 CarbonylContact O-C 3.46Å; F210-V228 WeakPolarHBondContact O-CA 2.83Å; F210-I229 HydrophobicContact CB-CB 4.18Å; F210-I229 HydrophobicContact CB-CD1 4.2Å; F210-I229 HydrophobicContact CD2-CG2 4.4Å; F210-I229 PolarHBondContact N-O 3.45Å; F210-I229 PolarHBondContact O-N 2.92Å |
| 211 | I | 94.9 | Very high | 82 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.7 | 170.9 | -65.1 | 168 | 0 | 0 | 0 | 107.5 | I199 Y200 F202 K227 V228 A260 A263 L285 V287 | I199-I211 HydrophobicContact CB-CG2 4.33Å; I199-I211 PolarHBondContact N-O 3.3Å; Y200-I211 HydrophobicContact CD1-CD1 4.34Å; Y200-I211 PolarHBondContact O-N 2.8Å; F202-I211 HydrophobicContact CE1-CD1 4.4Å; I211-K227 WeakPolarHBondContact CA-O 2.9Å; I211-V228 HydrophobicContact CG1-CG2 4.2Å; I211-A260 HydrophobicContact CG2-CB 3.97Å; I211-A263 HydrophobicContact CD1-CB 3.38Å; I211-L285 HydrophobicContact CD1-CD1 3.97Å; I211-L285 HydrophobicContact CD1-CD2 3.91Å; I211-L285 HydrophobicContact CD1-CG 4.38Å; I211-V287 HydrophobicContact CD1-CG2 4.23Å |
| 212 | S | 91.7 | Very high | 80.6 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 158.5 | 179.4 | 62.8 | 0 | 0 | 0 | 0 | 111.5 | A197 S226 K227 | A197-S212 CarbonylContact O-C 3.59Å; A197-S212 WeakPolarHBondContact O-CA 3.19Å; S212-S226 CarbonylContact O-C 3.36Å; S212-S226 WeakPolarHBondContact O-CA 2.94Å; S212-K227 PolarHBondContact N-O 3.24Å; S212-K227 PolarHBondContact O-N 2.94Å |
| 213 | R | 89.9 | Confident | 79.6 | Confident | 25 Ų | 25 | 56.5 Ų | 56.5 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 130.9 | 160.4 | -51.2 | 179.4 | -163.9 | 149.9 | 9 | 108.1 | I196 A197 I199 Y224 H225 A260 N298 | I196-R213 CarbonylContact C-O 3.59Å; I196-R213 VanDerWaalsContact CA-O 3.31Å; I196-R213 WeakPolarHBondContact CA-O 3.06Å; A197-R213 HydrophobicContact CB-CB 4.32Å; A197-R213 PolarHBondContact N-O 2.81Å; A197-R213 PolarHBondContact O-N 3.4Å; I199-R213 HydrophobicContact CD1-CG 4.26Å; I199-R213 HydrophobicContact CG1-CG 4.13Å; R213-Y224 HydrophobicContact CB-CD1 4.32Å; R213-H225 WeakPolarHBondContact CA-O 3.1Å; R213-A260 VanDerWaalsContact CZ-O 3.25Å; R213-A260 PolarHBondContact NE-O 3.18Å; R213-A260 PolarHBondContact NH2-O 2.92Å; R213-N298 WeakPolarHBondContact CD-OD1 3.42Å; R213-N298 PolarHBondContact NH1-O 3.26Å; R213-N298 PolarHBondContact NH1-OD1 3.45Å |
| 214 | A | 83.2 | Confident | 79 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 152.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | I196 Y224 H225 | I196-A214 HydrophobicContact CD1-CB 4.26Å; I196-A214 HydrophobicContact CG1-CB 4.09Å; A214-Y224 WeakPolarHBondContact O-CA 3.03Å; A214-H225 PolarHBondContact N-O 3.03Å; A214-H225 PolarHBondContact O-N 3.18Å |
| 215 | P | 78.1 | Confident | 78.7 | Confident | 26 Ų | 26 | 55.7 Ų | 55.7 | 17% | 0.169 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.7 | 140.4 | 169.4 | 24.6 | -33.3 | 0 | 0 | 0 | 111.1 | P194 A217 S222 Y224 | P194-P215 HydrophobicContact CB-CG 3.84Å; P215-A217 PolarHBondContact O-N 3.48Å; P215-S222 VanDerWaalsContact CB-OG 3.27Å; P215-S222 WeakPolarHBondContact CB-OG 3.43Å; P215-Y224 HydrophobicContact CB-CD2 4.45Å; P215-Y224 HydrophobicContact CB-CE2 4.31Å |
| 216 | R | 70.9 | Confident | 78.9 | Confident | 163 Ų | 163 | 51 Ų | 51 | 62% | 0.615 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -63.3 | -26.7 | -177.9 | -157.5 | -179.5 | -177.6 | 126.6 | 0.4 | 113.5 | S222 L223 H225 | R216-S222 PolarHBondContact N-OG 3.24Å; R216-L223 PolarHBondContact N-O 3.02Å; R216-H225 PolarHBondContact NH1-CE1 3Å; R216-H225 PolarHBondContact NH1-NE2 3.31Å |
| 217 | A | 64 | Low | 79 | Confident | 53 Ų | 53 | 49.4 Ų | 49.4 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -144.5 | 160.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110 | P215 D219 S222 | P215-A217 PolarHBondContact O-N 3.48Å; A217-D219 PolarHBondContact O-N 3.12Å; A217-S222 PolarHBondContact N-OG 2.96Å; A217-S222 PolarHBondContact O-OG 2.92Å |
| 218 | S | 55 | Low | 79.1 | Confident | 97 Ų | 97 | 48.4 Ų | 48.4 | 68% | 0.678 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -65.7 | -3.7 | 175.9 | -49.8 | 0 | 0 | 0 | 0 | 114.2 | G335 | S218-G335 PolarHBondContact OG-O 3.45Š|
| 219 | D | 54.7 | Low | 79 | Confident | 94 Ų | 94 | 48.5 Ų | 48.5 | 50% | 0.503 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -69.2 | 129.5 | 167.7 | -177.9 | 4.8 | 0 | 0 | 0 | 110.5 | A217 Q221 S222 | A217-D219 PolarHBondContact O-N 3.12Å; D219-Q221 PolarHBondContact O-N 3.37Å; D219-Q221 VanDerWaalsContact O-N 3.13Å; D219-Q221 PolarHBondContact OD1-N 3.03Å; D219-S222 PolarHBondContact O-N 3.38Å; D219-S222 VanDerWaalsContact O-N 3.08Å; D219-S222 PolarHBondContact O-OG 3.35Å |
| 220 | R | 54.1 | Low | 78.8 | Confident | 207 Ų | 207 | 48.7 Ų | 48.7 | 78% | 0.781 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -30.2 | 173.5 | -70.8 | -176.6 | 173 | -174.9 | -2.4 | 112.2 | S222 R297 | R220-S222 VanDerWaalsContact C-N 3.33Å; R220-S222 PolarHBondContact O-N 2.99Å; R220-R297 PolarHBondContact O-NE 2.92Å; R220-R297 PolarHBondContact O-NH1 3.48Å; R220-R297 PolarHBondContact O-NH2 2.82Å |
| 221 | Q | 56.7 | Low | 78.7 | Confident | 157 Ų | 157 | 48.7 Ų | 48.7 | 73% | 0.734 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.3 | -179.3 | -63.3 | -167.8 | -2 | 0 | 0 | 115.2 | D219 | D219-Q221 PolarHBondContact O-N 3.37Å; D219-Q221 VanDerWaalsContact O-N 3.13Å; D219-Q221 PolarHBondContact OD1-N 3.03Å |
| 222 | S | 63 | Low | 78.5 | Confident | 19 Ų | 19 | 48.7 Ų | 48.7 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 145.7 | -172.3 | 69.8 | 0 | 0 | 0 | 0 | 114.2 | P215 R216 A217 D219 R220 | P215-S222 VanDerWaalsContact CB-OG 3.27Å; P215-S222 WeakPolarHBondContact CB-OG 3.43Å; R216-S222 PolarHBondContact N-OG 3.24Å; A217-S222 PolarHBondContact N-OG 2.96Å; A217-S222 PolarHBondContact O-OG 2.92Å; D219-S222 PolarHBondContact O-N 3.38Å; D219-S222 VanDerWaalsContact O-N 3.08Å; D219-S222 PolarHBondContact O-OG 3.35Å; R220-S222 VanDerWaalsContact C-N 3.33Å; R220-S222 PolarHBondContact O-N 2.99Å |
| 223 | L | 74.1 | Confident | 78.5 | Confident | 107 Ų | 107 | 49 Ų | 49 | 56% | 0.56 | 24% | 0.241 | S | C | * | . | P | Polyproline II helix | trans | -68.4 | 151.8 | 173.7 | -69.6 | 171.7 | 0 | 0 | 0 | 111 | R216 N292 | R216-L223 PolarHBondContact N-O 3.02Å; L223-N292 HydrophobicContact CD2-CB 4.12Å |
| 224 | Y | 81.9 | Confident | 78.4 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 7% | 0.071 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 139 | 178.6 | -82 | -130.2 | 0 | 0 | 0 | 110 | D195 R213 A214 P215 L259 N292 R297 N298 | D195-Y224 WeakPolarHBondContact CB-OH 3.34Å; D195-Y224 WeakPolarHBondContact O-CE1 3.47Å; D195-Y224 PolarHBondContact O-OH 3.17Å; D195-Y224 PolarHBondContact OD2-OH 3.32Å; R213-Y224 HydrophobicContact CB-CD1 4.32Å; A214-Y224 WeakPolarHBondContact O-CA 3.03Å; P215-Y224 HydrophobicContact CB-CD2 4.45Å; P215-Y224 HydrophobicContact CB-CE2 4.31Å; Y224-L259 VanDerWaalsContact CB-CD2 3.43Å; Y224-L259 WeakPolarHBondContact O-CD2 3.45Å; Y224-N292 PolarHBondContact N-OD1 3.34Å; Y224-N292 PolarHBondContact O-ND2 3.41Å; Y224-R297 HydrophobicContact CD2-CB 4.36Å; Y224-R297 HydrophobicContact CE2-CB 3.9Å; Y224-R297 HydrophobicContact CE2-CG 4.49Å; Y224-N298 HydrophobicContact CD1-CB 3.72Å; Y224-N298 HydrophobicContact CE1-CB 3.44Å; Y224-N298 VanDerWaalsContact CE1-CB 3.44Å; Y224-N298 VanDerWaalsContact CE1-CG 3.4Å; Y224-N298 HydrophobicContact CG-CB 4.41Å |
| 225 | H | 86.1 | Confident | 78.6 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 155.8 | 175 | -70.2 | -97.6 | 0 | 0 | 0 | 109.9 | R213 A214 R216 T258 | R213-H225 WeakPolarHBondContact CA-O 3.1Å; A214-H225 PolarHBondContact N-O 3.03Å; A214-H225 PolarHBondContact O-N 3.18Å; R216-H225 PolarHBondContact NH1-CE1 3Å; R216-H225 PolarHBondContact NH1-NE2 3.31Å; H225-T258 CarbonylContact C-O 3.55Å; H225-T258 WeakPolarHBondContact ND1-CG2 3.41Å |
| 226 | S | 91.6 | Very high | 79 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 137.6 | 178.6 | -53.9 | 0 | 0 | 0 | 0 | 111.1 | S212 L246 T258 A260 | S212-S226 CarbonylContact O-C 3.36Å; S212-S226 WeakPolarHBondContact O-CA 2.94Å; S226-L246 PolarHBondContact O-N 3.12Å; S226-T258 WeakPolarHBondContact CB-O 2.96Å; S226-T258 PolarHBondContact N-O 2.63Å; S226-T258 PolarHBondContact OG-O 3.05Å; S226-A260 WeakPolarHBondContact OG-CB 3.31Å; S226-A260 PolarHBondContact OG-N 3Å |
| 227 | K | 90.9 | Very high | 79.6 | Confident | 29 Ų | 29 | 50.5 Ų | 50.5 | 13% | 0.126 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 143.9 | 174.9 | -60.6 | -163.3 | -174.4 | -176.9 | 0 | 111.1 | I211 S212 E243 L244 D372 | I211-K227 WeakPolarHBondContact CA-O 2.9Å; S212-K227 PolarHBondContact N-O 3.24Å; S212-K227 PolarHBondContact O-N 2.94Å; K227-E243 HydrophobicContact CD-CB 3.7Å; K227-E243 HydrophobicContact CD-CG 4.49Å; K227-E243 WeakPolarHBondContact CD-OE2 3.11Å; K227-E243 IonicContact NZ-OE2 2.81Å; K227-E243 PolarHBondContact NZ-OE2 3.05Å; K227-L244 CarbonylContact C-O 3.53Å; K227-L244 VanDerWaalsContact CA-O 3.22Å; K227-L244 WeakPolarHBondContact CA-O 3.05Å; K227-D372 IonicContact NZ-OD1 3.19Å; K227-D372 PolarHBondContact NZ-OD1 3.24Å; K227-D372 IonicContact NZ-OD2 3.94Å |
| 228 | V | 93.4 | Very high | 80.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 124.6 | 159.2 | 175.8 | 0 | 0 | 0 | 0 | 107.8 | Y209 F210 I211 E243 L244 L246 L285 F318 | Y209-V228 HydrophobicContact CD1-CG1 3.85Å; F210-V228 CarbonylContact O-C 3.46Å; F210-V228 WeakPolarHBondContact O-CA 2.83Å; I211-V228 HydrophobicContact CG1-CG2 4.2Å; V228-E243 CarbonylContact O-C 3.58Å; V228-E243 WeakPolarHBondContact O-CA 3.11Å; V228-L244 PolarHBondContact N-O 3.31Å; V228-L244 PolarHBondContact O-N 2.7Å; V228-L246 HydrophobicContact CG2-CD1 3.8Å; V228-L246 HydrophobicContact CG2-CD2 3.59Å; V228-L246 HydrophobicContact CG2-CG 3.78Å; V228-L285 HydrophobicContact CG2-CD2 4.42Å; V228-F318 HydrophobicContact CB-CZ 4.46Å; V228-F318 HydrophobicContact CG1-CE2 4.09Å; V228-F318 HydrophobicContact CG1-CZ 4.12Å |
| 229 | I | 93 | Very high | 82.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 140.8 | 168 | -61.7 | 157.6 | 0 | 0 | 0 | 107.3 | V163 Y198 Y209 F210 Y241 S242 E243 | V163-I229 HydrophobicContact CG2-CD1 4.41Å; Y198-I229 HydrophobicContact CD1-CD1 4.38Å; Y198-I229 HydrophobicContact CE1-CD1 3.7Å; Y209-I229 CarbonylContact C-O 3.52Å; Y209-I229 WeakPolarHBondContact CA-O 3.21Å; F210-I229 HydrophobicContact CB-CB 4.18Å; F210-I229 HydrophobicContact CB-CD1 4.2Å; F210-I229 HydrophobicContact CD2-CG2 4.4Å; F210-I229 PolarHBondContact N-O 3.45Å; F210-I229 PolarHBondContact O-N 2.92Å; I229-Y241 WeakPolarHBondContact CD1-OH 3.37Å; I229-Y241 WeakPolarHBondContact CG1-OH 3.2Å; I229-Y241 HydrophobicContact CG2-CD2 4.03Å; I229-Y241 HydrophobicContact CG2-CE1 4.13Å; I229-Y241 HydrophobicContact CG2-CE2 3.36Å; I229-Y241 VanDerWaalsContact CG2-CZ 3.4Å; I229-Y241 WeakPolarHBondContact CG2-OH 3.48Å; I229-S242 CarbonylContact C-O 3.57Å; I229-S242 WeakPolarHBondContact CA-O 3.22Å; I229-E243 HydrophobicContact CG1-CG 4.07Å |
| 230 | R | 92.8 | Very high | 84 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 2% | 0.015 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 137.4 | 175 | -175 | -173.6 | 66.5 | 164.2 | 4.6 | 111 | F207 S208 Y209 Y241 S242 N315 F318 | F207-R230 HydrophobicContact CB-CG 4.03Å; F207-R230 HydrophobicContact CD1-CG 3.97Å; F207-R230 HydrophobicContact CG-CG 4.21Å; S208-R230 WeakPolarHBondContact O-CA 2.93Å; Y209-R230 HydrophobicContact CD1-CB 3.94Å; Y209-R230 HydrophobicContact CD1-CG 3.86Å; Y209-R230 HydrophobicContact CE1-CB 4.05Å; Y209-R230 HydrophobicContact CE1-CG 3.56Å; R230-Y241 WeakPolarHBondContact O-CA 2.79Å; R230-S242 PolarHBondContact N-O 2.79Å; R230-S242 PolarHBondContact O-N 2.84Å; R230-S242 PolarHBondContact O-OG 3.25Å; R230-N315 PolarHBondContact NH1-OD1 2.74Å; R230-F318 HydrophobicContact CB-CE1 4.15Å; R230-F318 HydrophobicContact CB-CE2 3.85Å; R230-F318 HydrophobicContact CB-CZ 3.63Å; R230-F318 VanDerWaalsContact CZ-CB 3.49Å |
| 231 | V | 92.4 | Very high | 85.7 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 140.4 | 171.7 | -175.9 | 0 | 0 | 0 | 0 | 108.8 | F207 S208 Y238 Y241 | F207-V231 WeakPolarHBondContact CA-O 2.86Å; S208-V231 PolarHBondContact N-O 2.98Å; S208-V231 PolarHBondContact O-N 2.7Å; V231-Y238 HydrophobicContact CG1-CD2 4.03Å; V231-Y238 HydrophobicContact CG1-CE1 4.5Å; V231-Y238 HydrophobicContact CG1-CE2 3.95Å; V231-Y238 HydrophobicContact CG1-CG 4.35Å; V231-Y238 HydrophobicContact CG2-CE1 4.21Å; V231-Y241 HydrophobicContact CG2-CD2 3.68Å; V231-Y241 HydrophobicContact CG2-CE2 4.48Å; V231-Y241 HydrophobicContact CG2-CG 4.34Å |
| 232 | S | 91.7 | Very high | 87.2 | Confident | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.007 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 135.7 | 172.5 | 176.8 | 0 | 0 | 0 | 0 | 111 | H234 D235 T240 E362 | S232-H234 PolarHBondContact O-N 2.83Å; S232-H234 PolarHBondContact OG-N 3.08Å; S232-D235 PolarHBondContact O-N 3.04Å; S232-T240 WeakPolarHBondContact CB-OG1 3.27Å; S232-T240 PolarHBondContact N-OG1 3.15Å; S232-E362 VanDerWaalsContact CB-O 3.25Å; S232-E362 WeakPolarHBondContact CB-O 2.81Å; S232-E362 PolarHBondContact OG-O 3.05Å |
| 233 | Q | 91 | Very high | 88.5 | Confident | 7 Ų | 7 | 23.2 Ų | 23.2 | 3% | 0.033 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.6 | 175.6 | -62.6 | 171.2 | -25 | 0 | 0 | 112.7 | D139 G140 P141 T205 N206 | D139-Q233 WeakPolarHBondContact O-CB 3.13Å; D139-Q233 WeakPolarHBondContact O-CG 2.89Å; G140-Q233 CarbonylContact C-O 3.54Å; P141-Q233 WeakPolarHBondContact CA-O 3.15Å; P141-Q233 WeakPolarHBondContact CD-O 3.13Å; T205-Q233 PolarHBondContact O-OE1 2.96Å; N206-Q233 VanDerWaalsContact C-CD 3.47Å; N206-Q233 VanDerWaalsContact CA-OE1 3.31Å; N206-Q233 WeakPolarHBondContact O-CB 3.31Å; N206-Q233 WeakPolarHBondContact O-CG 3.28Å; N206-Q233 PolarHBondContact O-N 2.64Å |
| 234 | H | 88 | Confident | 89.2 | Confident | 84 Ų | 84 | 18.1 Ų | 18.1 | 39% | 0.389 | 8% | 0.08 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93 | -10.5 | 178.6 | -62.4 | 78.7 | 0 | 0 | 0 | 113.1 | S232 F363 | S232-H234 PolarHBondContact O-N 2.83Å; S232-H234 PolarHBondContact OG-N 3.08Å; H234-F363 HydrophobicContact CB-CD1 4.18Å; H234-F363 HydrophobicContact CB-CE1 3.87Å |
| 235 | D | 87.4 | Confident | 89.6 | Confident | 4 Ų | 4 | 18.3 Ų | 18.3 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | trans | -93.1 | 116 | -170.3 | 173.2 | 14.2 | 0 | 0 | 0 | 112.1 | P141 S232 N237 Y238 Y239 T240 | P141-D235 WeakPolarHBondContact CG-O 3.27Å; S232-D235 PolarHBondContact O-N 3.04Å; D235-N237 PolarHBondContact OD1-N 2.97Å; D235-Y238 PolarHBondContact OD1-N 3.46Å; D235-Y238 WeakPolarHBondContact OD2-CA 3.23Å; D235-Y238 PolarHBondContact OD2-N 3.26Å; D235-Y239 PolarHBondContact OD1-N 3.25Å; D235-Y239 PolarHBondContact OD2-N 3.19Å; D235-T240 HydrophobicContact CB-CG2 4Å; D235-T240 WeakPolarHBondContact OD2-CB 2.92Å; D235-T240 WeakPolarHBondContact OD2-CG2 3.05Å; D235-T240 PolarHBondContact OD2-N 3.07Å; D235-T240 PolarHBondContact OD2-OG1 3.34Å | ||
| 236 | R | 85.4 | Confident | 89.8 | Confident | 114 Ų | 114 | 17.5 Ų | 17.5 | 43% | 0.43 | 8% | 0.082 | S | C | . | . | S | Bend | trans | -87.6 | -17.6 | 179.7 | -62.6 | 176.4 | -162.6 | -178.9 | 6.3 | 113.5 | P141 L142 H178 T185 | P141-R236 HydrophobicContact CB-CB 4.49Å; P141-R236 HydrophobicContact CB-CG 3.51Å; P141-R236 HydrophobicContact CG-CG 4.47Å; L142-R236 VanDerWaalsContact CD2-CZ 3.42Å; L142-R236 VanDerWaalsContact CD2-NH2 3.32Å; H178-R236 HydrophobicContact CB-CB 4.19Å; H178-R236 WeakPolarHBondContact CB-O 3.22Å; H178-R236 PolarHBondContact CD2-O 3.06Å; H178-R236 VanDerWaalsContact CD2-O 3.3Å; T185-R236 WeakPolarHBondContact CG2-O 3.06Å |
| 237 | N | 85.1 | Confident | 89.5 | Confident | 46 Ų | 46 | 18.6 Ų | 18.6 | 25% | 0.246 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -105.1 | -1.4 | -175.2 | -69.3 | -44.9 | 0 | 0 | 0 | 112.8 | T183 D235 Y239 | T183-N237 WeakPolarHBondContact CB-OD1 2.91Å; T183-N237 HydrophobicContact CG2-CB 4.22Å; T183-N237 PolarHBondContact OG1-OD1 3.01Å; D235-N237 PolarHBondContact OD1-N 2.97Å; N237-Y239 HydrophobicContact CB-CD1 3.82Å; N237-Y239 HydrophobicContact CB-CD2 3.6Å; N237-Y239 HydrophobicContact CB-CE1 3.71Å; N237-Y239 HydrophobicContact CB-CE2 3.5Å; N237-Y239 HydrophobicContact CB-CG 3.78Å; N237-Y239 PolarHBondContact O-N 2.56Å |
| 238 | Y | 88.6 | Confident | 89.5 | Confident | 1 Ų | 1 | 17.3 Ų | 17.3 | 0% | 0.004 | 8% | 0.081 | C | C | . | . | trans | 63.1 | 12.4 | -176.5 | -101.5 | -132.9 | 0 | 0 | 0 | 114.7 | V163 G164 T165 T185 V187 V231 D235 T240 Y241 Y369 | V163-Y238 HydrophobicContact CG1-CE1 4.41Å; G164-Y238 WeakPolarHBondContact CA-OH 3.43Å; T165-Y238 PolarHBondContact N-OH 2.93Å; T165-Y238 VanDerWaalsContact N-OH 3.16Å; T165-Y238 PolarHBondContact OG1-OH 2.85Å; T185-Y238 HydrophobicContact CG2-CD2 4.16Å; T185-Y238 HydrophobicContact CG2-CE2 4.2Å; V187-Y238 HydrophobicContact CG2-CD1 3.69Å; V187-Y238 HydrophobicContact CG2-CE1 4.18Å; V231-Y238 HydrophobicContact CG1-CD2 4.03Å; V231-Y238 HydrophobicContact CG1-CE1 4.5Å; V231-Y238 HydrophobicContact CG1-CE2 3.95Å; V231-Y238 HydrophobicContact CG1-CG 4.35Å; V231-Y238 HydrophobicContact CG2-CE1 4.21Å; D235-Y238 PolarHBondContact OD1-N 3.46Å; D235-Y238 WeakPolarHBondContact OD2-CA 3.23Å; D235-Y238 PolarHBondContact OD2-N 3.26Å; Y238-T240 PolarHBondContact O-N 3.2Å; Y238-Y241 HydrophobicContact CD1-CD2 4.25Å; Y238-Y241 HydrophobicContact CE1-CD2 4.4Å; Y238-Y241 VanDerWaalsContact O-CB 3.31Å; Y238-Y241 WeakPolarHBondContact O-CB 3.29Å; Y238-Y241 PolarHBondContact O-N 2.87Å; Y238-Y369 WeakPolarHBondContact O-CE2 3.44Å | ||
| 239 | Y | 87.4 | Confident | 89.2 | Confident | 36 Ų | 36 | 20.8 Ų | 20.8 | 14% | 0.141 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -17.5 | 177.9 | -64.4 | -21.2 | 0 | 0 | 0 | 115.2 | T183 D235 N237 E366 Y369 | T183-Y239 HydrophobicContact CG2-CE1 3.89Å; T183-Y239 WeakPolarHBondContact CG2-OH 3.26Å; D235-Y239 PolarHBondContact OD1-N 3.25Å; D235-Y239 PolarHBondContact OD2-N 3.19Å; N237-Y239 HydrophobicContact CB-CD1 3.82Å; N237-Y239 HydrophobicContact CB-CD2 3.6Å; N237-Y239 HydrophobicContact CB-CE1 3.71Å; N237-Y239 HydrophobicContact CB-CE2 3.5Å; N237-Y239 HydrophobicContact CB-CG 3.78Å; N237-Y239 PolarHBondContact O-N 2.56Å; Y239-E366 HydrophobicContact CD2-CG 4.38Å; Y239-E366 HydrophobicContact CE2-CB 4.48Å; Y239-E366 HydrophobicContact CE2-CG 3.6Å; Y239-E366 VanDerWaalsContact OH-CD 3.31Å; Y239-E366 PolarHBondContact OH-OE1 3.33Å; Y239-Y369 VanDerWaalsContact CA-CD2 3.46Å; Y239-Y369 AromaticContact CD1-CD1 3.74Å; Y239-Y369 HydrophobicContact CD1-CD1 3.74Å; Y239-Y369 AromaticContact CD1-CE1 3.89Å; Y239-Y369 HydrophobicContact CD1-CE1 3.89Å; Y239-Y369 HydrophobicContact CD1-CG 4.13Å; Y239-Y369 HydrophobicContact CE1-CD1 4.28Å; Y239-Y369 HydrophobicContact CE1-CE1 4.34Å; Y239-Y369 WeakPolarHBondContact O-CD2 3.27Å |
| 240 | T | 88.8 | Confident | 88.6 | Confident | 15 Ų | 15 | 21.5 Ų | 21.5 | 9% | 0.092 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -4.7 | 175.4 | 58.5 | 0 | 0 | 0 | 0 | 114.2 | S232 D235 Y238 S242 I361 G364 | S232-T240 WeakPolarHBondContact CB-OG1 3.27Å; S232-T240 PolarHBondContact N-OG1 3.15Å; D235-T240 HydrophobicContact CB-CG2 4Å; D235-T240 WeakPolarHBondContact OD2-CB 2.92Å; D235-T240 WeakPolarHBondContact OD2-CG2 3.05Å; D235-T240 PolarHBondContact OD2-N 3.07Å; D235-T240 PolarHBondContact OD2-OG1 3.34Å; Y238-T240 PolarHBondContact O-N 3.2Å; T240-S242 PolarHBondContact O-N 3.41Å; T240-S242 PolarHBondContact O-OG 3.38Å; T240-I361 WeakPolarHBondContact CG2-O 3.29Å; T240-G364 VanDerWaalsContact CG2-N 3.3Å |
| 241 | Y | 90.7 | Very high | 87.3 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -56.5 | 115.6 | 177 | -171.1 | -76.6 | 0 | 0 | 0 | 110.1 | V163 V187 I229 R230 V231 Y238 E243 L334 F337 P370 F371 | V163-Y241 HydrophobicContact CB-CE2 4.03Å; V163-Y241 HydrophobicContact CG1-CE2 4.27Å; V163-Y241 HydrophobicContact CG2-CE2 4.03Å; V187-Y241 HydrophobicContact CG2-CD2 3.5Å; V187-Y241 HydrophobicContact CG2-CE2 3.78Å; V187-Y241 HydrophobicContact CG2-CG 3.93Å; I229-Y241 WeakPolarHBondContact CD1-OH 3.37Å; I229-Y241 WeakPolarHBondContact CG1-OH 3.2Å; I229-Y241 HydrophobicContact CG2-CD2 4.03Å; I229-Y241 HydrophobicContact CG2-CE1 4.13Å; I229-Y241 HydrophobicContact CG2-CE2 3.36Å; I229-Y241 VanDerWaalsContact CG2-CZ 3.4Å; I229-Y241 WeakPolarHBondContact CG2-OH 3.48Å; R230-Y241 WeakPolarHBondContact O-CA 2.79Å; V231-Y241 HydrophobicContact CG2-CD2 3.68Å; V231-Y241 HydrophobicContact CG2-CE2 4.48Å; V231-Y241 HydrophobicContact CG2-CG 4.34Å; Y238-Y241 HydrophobicContact CD1-CD2 4.25Å; Y238-Y241 HydrophobicContact CE1-CD2 4.4Å; Y238-Y241 VanDerWaalsContact O-CB 3.31Å; Y238-Y241 WeakPolarHBondContact O-CB 3.29Å; Y238-Y241 PolarHBondContact O-N 2.87Å; Y241-E243 HydrophobicContact CD1-CG 4.44Å; Y241-E243 HydrophobicContact CE1-CG 3.59Å; Y241-E243 WeakPolarHBondContact CE1-OE1 2.88Å; Y241-E243 PolarHBondContact OH-OE1 3.5Å; Y241-L334 HydrophobicContact CD1-CD1 3.8Å; Y241-L334 HydrophobicContact CE1-CD1 3.47Å; Y241-L334 VanDerWaalsContact CE1-CD1 3.47Å; Y241-F337 HydrophobicContact CE1-CD2 4.36Å; Y241-F337 HydrophobicContact CE1-CE2 4.01Å; Y241-F337 AromaticContact CZ-CE2 3.79Å; Y241-F337 WeakPolarHBondContact OH-CE2 2.98Å; Y241-P370 HydrophobicContact CD1-CB 4.27Å; Y241-F371 PolarHBondContact O-N 3.03Å | ||
| 242 | S | 88.5 | Confident | 85.7 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 136.2 | -175.1 | 37.9 | 0 | 0 | 0 | 0 | 109.7 | I229 R230 T240 F371 | I229-S242 CarbonylContact C-O 3.57Å; I229-S242 WeakPolarHBondContact CA-O 3.22Å; R230-S242 PolarHBondContact N-O 2.79Å; R230-S242 PolarHBondContact O-N 2.84Å; R230-S242 PolarHBondContact O-OG 3.25Å; T240-S242 PolarHBondContact O-N 3.41Å; T240-S242 PolarHBondContact O-OG 3.38Å; S242-F371 WeakPolarHBondContact CA-O 3.37Å |
| 243 | E | 89.3 | Confident | 83.8 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143.3 | 173.7 | -50.2 | -168.1 | 163 | 0 | 0 | 110.7 | K227 V228 I229 Y241 L334 H336 F371 G373 | K227-E243 HydrophobicContact CD-CB 3.7Å; K227-E243 HydrophobicContact CD-CG 4.49Å; K227-E243 WeakPolarHBondContact CD-OE2 3.11Å; K227-E243 IonicContact NZ-OE2 2.81Å; K227-E243 PolarHBondContact NZ-OE2 3.05Å; V228-E243 CarbonylContact O-C 3.58Å; V228-E243 WeakPolarHBondContact O-CA 3.11Å; I229-E243 HydrophobicContact CG1-CG 4.07Å; Y241-E243 HydrophobicContact CD1-CG 4.44Å; Y241-E243 HydrophobicContact CE1-CG 3.59Å; Y241-E243 WeakPolarHBondContact CE1-OE1 2.88Å; Y241-E243 PolarHBondContact OH-OE1 3.5Å; E243-L334 HydrophobicContact CB-CD2 4.15Å; E243-L334 HydrophobicContact CG-CD1 3.74Å; E243-L334 HydrophobicContact CG-CD2 3.85Å; E243-L334 HydrophobicContact CG-CG 4.47Å; E243-L334 WeakPolarHBondContact OE2-CD2 3.48Å; E243-H336 IonicContact OE1-CE1 2.74Å; E243-H336 IonicContact OE1-NE2 2.8Å; E243-H336 PolarHBondContact OE1-NE2 3.5Å; E243-H336 IonicContact OE2-CE1 2.72Å; E243-H336 PolarHBondContact OE2-CE1 2.95Å; E243-H336 IonicContact OE2-NE2 3.36Å; E243-H336 PolarHBondContact OE2-NE2 3.13Å; E243-F371 PolarHBondContact N-O 3.18Å; E243-G373 VanDerWaalsContact O-CA 3.27Å; E243-G373 WeakPolarHBondContact O-CA 3.12Å; E243-G373 PolarHBondContact O-N 3.06Å |
| 244 | L | 90.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 123 | 178.9 | 172.9 | 62.6 | 0 | 0 | 0 | 109.3 | K227 V228 I314 R317 F318 N321 T375 I377 | K227-L244 CarbonylContact C-O 3.53Å; K227-L244 VanDerWaalsContact CA-O 3.22Å; K227-L244 WeakPolarHBondContact CA-O 3.05Å; V228-L244 PolarHBondContact N-O 3.31Å; V228-L244 PolarHBondContact O-N 2.7Å; L244-I314 HydrophobicContact CD2-CG2 4.41Å; L244-R317 HydrophobicContact CD1-CG 3.67Å; L244-R317 HydrophobicContact CD2-CB 4.11Å; L244-R317 HydrophobicContact CD2-CG 3.84Å; L244-R317 HydrophobicContact CG-CG 4.41Å; L244-F318 HydrophobicContact CB-CD1 4.1Å; L244-F318 HydrophobicContact CB-CE1 3.5Å; L244-F318 HydrophobicContact CB-CE2 4.05Å; L244-F318 HydrophobicContact CB-CZ 3.48Å; L244-F318 VanDerWaalsContact CB-CZ 3.48Å; L244-F318 HydrophobicContact CD2-CD2 3.99Å; L244-F318 HydrophobicContact CD2-CE2 3.95Å; L244-F318 HydrophobicContact CD2-CG 4.31Å; L244-F318 HydrophobicContact CD2-CZ 4.25Å; L244-N321 WeakPolarHBondContact CD1-ND2 3.48Å; L244-T375 WeakPolarHBondContact CD1-O 3.17Å; L244-I377 HydrophobicContact CD2-CB 4.27Å; L244-I377 HydrophobicContact CD2-CG2 3.93Å; L244-I377 HydrophobicContact CG-CG2 4.19Å |
| 245 | A | 89.3 | Confident | 80.2 | Confident | 22 Ų | 22 | 41.1 Ų | 41.1 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 136.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | P376 I377 | A245-P376 HydrophobicContact CB-CB 3.96Å; A245-P376 VanDerWaalsContact O-CA 3.31Å; A245-P376 WeakPolarHBondContact O-CA 3.17Å; A245-P376 WeakPolarHBondContact O-CB 3.34Å; A245-I377 PolarHBondContact O-N 2.7Å |
| 246 | L | 90.7 | Very high | 79.2 | Confident | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 129.2 | 168.6 | -61.6 | -177.8 | 0 | 0 | 0 | 109.4 | S226 V228 V287 F289 Y309 I377 | S226-L246 PolarHBondContact O-N 3.12Å; V228-L246 HydrophobicContact CG2-CD1 3.8Å; V228-L246 HydrophobicContact CG2-CD2 3.59Å; V228-L246 HydrophobicContact CG2-CG 3.78Å; L246-V287 HydrophobicContact CD1-CG1 4.41Å; L246-V287 HydrophobicContact CD1-CG2 4.26Å; L246-F289 HydrophobicContact CB-CE1 3.98Å; L246-F289 HydrophobicContact CB-CZ 3.71Å; L246-F289 HydrophobicContact CD1-CE1 4.39Å; L246-F289 HydrophobicContact CD1-CZ 3.8Å; L246-F289 HydrophobicContact CG-CZ 4.42Å; L246-Y309 HydrophobicContact CD2-CE1 4.32Å; L246-I377 HydrophobicContact CD2-CG2 3.36Å |
| 247 | E | 85.6 | Confident | 79.2 | Confident | 23 Ų | 23 | 41 Ų | 41 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 132.4 | 168.2 | -67.9 | -166.6 | -179.4 | 0 | 0 | 110.5 | Y309 P376 I377 Q379 | E247-Y309 PolarHBondContact O-OH 2.9Å; E247-P376 HydrophobicContact CG-CB 3.87Å; E247-P376 HydrophobicContact CG-CG 4.19Å; E247-I377 PolarHBondContact N-O 2.54Å; E247-Q379 PolarHBondContact O-N 2.93Å |
| 248 | C | 90.2 | Very high | 79.2 | Confident | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.9 | 175.8 | -173.4 | 0 | 0 | 0 | 0 | 109 | Y257 F289 V305 C307 Q379 | C248-Y257 PolarHBondContact O-N 3.34Å; C248-F289 HydrophobicContact CB-CB 4.43Å; C248-F289 HydrophobicContact CB-CD1 4.42Å; C248-F289 HydrophobicContact CB-CD2 3.51Å; C248-F289 HydrophobicContact CB-CE2 3.67Å; C248-F289 HydrophobicContact CB-CG 3.91Å; C248-F289 HydrophobicContact CB-CZ 4.21Å; C248-V305 HydrophobicContact CB-CG2 4.37Å; C248-V305 WeakPolarHBondContact SG-CG2 3.42Å; C248-C307 VanDerWaalsContact CA-SG 3.51Å; C248-C307 HydrophobicContact CB-CB 3.87Å; C248-C307 WeakPolarHBondContact CB-SG 3.08Å; C248-C307 WeakPolarHBondContact SG-CB 3.4Å; C248-C307 CovalentContact SG-SG 2.03Å; C248-C307 PolarHBondContact SG-SG 3.1Å; C248-Q379 WeakPolarHBondContact CA-O 3.47Å |
| 249 | K | 87.1 | Confident | 79.3 | Confident | 73 Ų | 73 | 39 Ų | 39 | 32% | 0.317 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 142.6 | -173.6 | -63.2 | 179.5 | -178.2 | 179.4 | 0 | 110.1 | E378 Q379 D380 A381 | K249-E378 IonicContact NZ-OE1 3.46Å; K249-E378 PolarHBondContact NZ-OE1 2.66Å; K249-E378 IonicContact NZ-OE2 2.71Å; K249-E378 PolarHBondContact NZ-OE2 2.66Å; K249-Q379 PolarHBondContact N-O 2.7Å; K249-D380 CarbonylContact O-C 3.58Å; K249-D380 WeakPolarHBondContact O-CA 3.33Å; K249-A381 WeakPolarHBondContact O-CB 3.35Å; K249-A381 PolarHBondContact O-N 2.68Å |
| 250 | A | 80.8 | Confident | 79.6 | Confident | 16 Ų | 16 | 37.3 Ų | 37.3 | 13% | 0.132 | 24% | 0.24 | C | C | . | . | trans | -134.9 | 122.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111 | G252 Y257 V305 A381 V384 | A250-G252 PolarHBondContact O-N 2.85Å; A250-Y257 HydrophobicContact CB-CD2 4.16Å; A250-Y257 HydrophobicContact CB-CE2 3.75Å; A250-V305 HydrophobicContact CB-CG1 4.19Å; A250-A381 HydrophobicContact CB-CB 4.1Å; A250-V384 HydrophobicContact CB-CG2 3.92Å | ||
| 251 | G | 65.6 | Low | 79.7 | Confident | 71 Ų | 71 | 37.1 Ų | 37.1 | 73% | 0.732 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 38.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | N253 | G251-N253 PolarHBondContact O-N 3.49Š|
| 252 | G | 59.2 | Low | 79.9 | Confident | 89 Ų | 89 | 37.3 Ų | 37.3 | 92% | 0.918 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.8 | -12.1 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | A250 | A250-G252 PolarHBondContact O-N 2.85Š|
| 253 | N | 50.2 | Low | 80.2 | Confident | 124 Ų | 124 | 37.6 Ų | 37.6 | 66% | 0.663 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -97 | 155.3 | 179.9 | -74.6 | -31.2 | 0 | 0 | 0 | 111.5 | G251 H255 | G251-N253 PolarHBondContact O-N 3.49Å; N253-H255 PolarHBondContact O-N 2.65Å |
| 254 | S | 50.3 | Low | 80.5 | Confident | 111 Ų | 111 | 38.7 Ų | 38.7 | 78% | 0.776 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -70 | 12 | -169.2 | 58 | 0 | 0 | 0 | 0 | 116.8 | Q256 | S254-Q256 PolarHBondContact O-N 3.4Š|
| 255 | H | 54.6 | Low | 80.7 | Confident | 114 Ų | 114 | 40.1 Ų | 40.1 | 53% | 0.528 | 25% | 0.254 | S | S | . | . | trans | -74.3 | 92.9 | 177.8 | -65.9 | -56.8 | 0 | 0 | 0 | 110.8 | N253 Y257 | N253-H255 PolarHBondContact O-N 2.65Å; H255-Y257 HydrophobicContact CB-CE2 4.46Å; H255-Y257 VanDerWaalsContact O-CD2 3.27Å; H255-Y257 WeakPolarHBondContact O-CD2 3.16Å; H255-Y257 PolarHBondContact O-N 2.7Å | ||
| 256 | Q | 66.4 | Low | 80.9 | Confident | 100 Ų | 100 | 39.5 Ų | 39.5 | 47% | 0.467 | 25% | 0.251 | S | S | . | . | trans | -76.7 | 110.2 | -178.8 | -62.5 | -170.6 | -25.9 | 0 | 0 | 111.9 | S254 T258 | S254-Q256 PolarHBondContact O-N 3.4Å; Q256-T258 HydrophobicContact CB-CG2 3.76Å; Q256-T258 PolarHBondContact O-N 2.72Å; Q256-T258 PolarHBondContact O-OG1 3.42Å; Q256-T258 VanDerWaalsContact O-OG1 3.07Å | ||
| 257 | Y | 84.9 | Confident | 81 | Confident | 15 Ų | 15 | 43.7 Ų | 43.7 | 6% | 0.059 | 27% | 0.269 | C | S | . | . | B | Isolated β-bridge | trans | -79.6 | 108.1 | 172 | -67.9 | -96 | 0 | 0 | 0 | 108.8 | C248 A250 H255 P291 R303 V305 | C248-Y257 PolarHBondContact O-N 3.34Å; A250-Y257 HydrophobicContact CB-CD2 4.16Å; A250-Y257 HydrophobicContact CB-CE2 3.75Å; H255-Y257 HydrophobicContact CB-CE2 4.46Å; H255-Y257 VanDerWaalsContact O-CD2 3.27Å; H255-Y257 WeakPolarHBondContact O-CD2 3.16Å; H255-Y257 PolarHBondContact O-N 2.7Å; Y257-P291 HydrophobicContact CE1-CG 4.49Å; Y257-R303 HydrophobicContact CE1-CB 3.92Å; Y257-V305 VanDerWaalsContact CB-CG2 3.5Å; Y257-V305 HydrophobicContact CD1-CB 4.25Å; Y257-V305 HydrophobicContact CD1-CG1 3.71Å; Y257-V305 HydrophobicContact CD1-CG2 3.6Å; Y257-V305 HydrophobicContact CD2-CG1 3.96Å; Y257-V305 HydrophobicContact CD2-CG2 4.14Å; Y257-V305 HydrophobicContact CE1-CG1 3.59Å; Y257-V305 HydrophobicContact CE1-CG2 4.34Å; Y257-V305 HydrophobicContact CE2-CG1 3.86Å; Y257-V305 HydrophobicContact CG-CB 4.36Å; Y257-V305 HydrophobicContact CG-CG1 3.89Å; Y257-V305 HydrophobicContact CG-CG2 3.47Å; Y257-V305 VanDerWaalsContact CG-CG2 3.47Å |
| 258 | T | 85.5 | Confident | 81.3 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | trans | -126.6 | -15 | -157.6 | 34.2 | 0 | 0 | 0 | 0 | 113.8 | H225 S226 Q256 S290 N292 | H225-T258 CarbonylContact C-O 3.55Å; H225-T258 WeakPolarHBondContact ND1-CG2 3.41Å; S226-T258 WeakPolarHBondContact CB-O 2.96Å; S226-T258 PolarHBondContact N-O 2.63Å; S226-T258 PolarHBondContact OG-O 3.05Å; Q256-T258 HydrophobicContact CB-CG2 3.76Å; Q256-T258 PolarHBondContact O-N 2.72Å; Q256-T258 PolarHBondContact O-OG1 3.42Å; Q256-T258 VanDerWaalsContact O-OG1 3.07Å; T258-S290 PolarHBondContact N-O 2.85Å; T258-S290 VanDerWaalsContact N-O 3.08Å; T258-N292 PolarHBondContact OG1-ND2 3.32Å | ||
| 259 | L | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 106.1 | -178.2 | -56.6 | -174.7 | 0 | 0 | 0 | 111.6 | Y224 T261 F289 S290 N292 Q299 | Y224-L259 VanDerWaalsContact CB-CD2 3.43Å; Y224-L259 WeakPolarHBondContact O-CD2 3.45Å; L259-T261 PolarHBondContact O-N 2.63Å; L259-F289 CarbonylContact O-C 3.5Å; L259-F289 VanDerWaalsContact O-CA 3.29Å; L259-F289 WeakPolarHBondContact O-CA 3.4Å; L259-S290 PolarHBondContact N-O 3.06Å; L259-S290 PolarHBondContact O-N 3.13Å; L259-N292 HydrophobicContact CD1-CB 4.44Å; L259-Q299 WeakPolarHBondContact CD1-O 3.41Å |
| 260 | A | 92.8 | Very high | 81.5 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 115.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I211 R213 S226 V287 L288 F289 | I211-A260 HydrophobicContact CG2-CB 3.97Å; R213-A260 VanDerWaalsContact CZ-O 3.25Å; R213-A260 PolarHBondContact NE-O 3.18Å; R213-A260 PolarHBondContact NH2-O 2.92Å; S226-A260 WeakPolarHBondContact OG-CB 3.31Å; S226-A260 PolarHBondContact OG-N 3Å; A260-V287 HydrophobicContact CB-CG1 3.77Å; A260-L288 CarbonylContact C-O 3.35Å; A260-L288 WeakPolarHBondContact CA-O 3.46Å; A260-F289 HydrophobicContact CB-CD1 4.24Å; A260-F289 HydrophobicContact CB-CE1 4.18Å |
| 261 | T | 91.4 | Very high | 82 | Confident | 12 Ų | 12 | 44 Ų | 44 | 7% | 0.074 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | -42.4 | -178.2 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | I199 L259 L288 S290 P300 L390 | I199-T261 WeakPolarHBondContact CG2-O 3.32Å; L259-T261 PolarHBondContact O-N 2.63Å; T261-L288 PolarHBondContact N-O 2.79Å; T261-L288 WeakPolarHBondContact OG1-CB 3.15Å; T261-S290 VanDerWaalsContact CG2-OG 3.28Å; T261-S290 WeakPolarHBondContact CG2-OG 3.06Å; T261-P300 HydrophobicContact CG2-CB 3.73Å; T261-P300 HydrophobicContact CG2-CG 4.23Å; T261-L390 VanDerWaalsContact CB-O 3.31Å; T261-L390 WeakPolarHBondContact CB-O 3.28Å; T261-L390 PolarHBondContact OG1-O 2.61Å |
| 262 | A | 94.3 | Very high | 83.3 | Confident | 3 Ų | 3 | 40.6 Ų | 40.6 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 164.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | L288 T391 V393 P440 | A262-L288 HydrophobicContact CB-CD1 4.35Å; A262-L288 PolarHBondContact O-N 3.18Å; A262-T391 WeakPolarHBondContact CB-O 3.1Å; A262-V393 HydrophobicContact CB-CG1 4.18Å; A262-P440 HydrophobicContact CB-CB 4.31Å |
| 263 | A | 95.6 | Very high | 84.9 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 7% | 0.066 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 160.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y200 I211 L285 Y286 V287 | Y200-A263 HydrophobicContact CD1-CB 3.86Å; Y200-A263 WeakPolarHBondContact CD2-O 3.31Å; Y200-A263 HydrophobicContact CG-CB 4.07Å; I211-A263 HydrophobicContact CD1-CB 3.38Å; A263-L285 HydrophobicContact CB-CD1 4.34Å; A263-Y286 CarbonylContact C-O 3.59Å; A263-Y286 WeakPolarHBondContact CA-O 3.47Å; A263-Y286 WeakPolarHBondContact CB-O 3.44Å; A263-V287 HydrophobicContact CB-CB 4.44Å; A263-V287 HydrophobicContact CB-CG1 4.31Å; A263-V287 HydrophobicContact CB-CG2 4.09Å |
| 264 | Y | 95.6 | Very high | 86.8 | Confident | 23 Ų | 23 | 37.9 Ų | 37.9 | 9% | 0.09 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 135.9 | 179.4 | -170.4 | -91.2 | 0 | 0 | 0 | 110.6 | R28 Y286 V393 A394 T395 | R28-Y264 PolarHBondContact NH2-OH 3.22Å; Y264-Y286 PolarHBondContact N-O 2.83Å; Y264-Y286 PolarHBondContact O-N 3.36Å; Y264-V393 WeakPolarHBondContact CB-O 3.3Å; Y264-A394 HydrophobicContact CD2-CB 4.04Å; Y264-A394 HydrophobicContact CE2-CB 3.9Å; Y264-T395 VanDerWaalsContact CD1-N 3.3Å; Y264-T395 WeakPolarHBondContact CD1-OG1 3.5Å; Y264-T395 VanDerWaalsContact CE1-N 3.28Å; Y264-T395 WeakPolarHBondContact CE1-O 3.38Å |
| 265 | L | 95.2 | Very high | 88.8 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 16% | 0.157 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 123.3 | 170.5 | -168.9 | 76.5 | 0 | 0 | 0 | 109.5 | Y200 F202 D283 L311 | Y200-L265 HydrophobicContact CE1-CB 4.33Å; Y200-L265 PolarHBondContact OH-N 3.11Å; F202-L265 HydrophobicContact CB-CB 4.31Å; F202-L265 HydrophobicContact CB-CD2 4.19Å; F202-L265 HydrophobicContact CD2-CB 4.38Å; F202-L265 HydrophobicContact CD2-CD1 3.77Å; F202-L265 HydrophobicContact CD2-CD2 3.71Å; F202-L265 HydrophobicContact CD2-CG 4.16Å; F202-L265 HydrophobicContact CE2-CD1 3.72Å; F202-L265 HydrophobicContact CE2-CD2 4.45Å; F202-L265 HydrophobicContact CG-CB 4.23Å; F202-L265 HydrophobicContact CG-CD1 4.38Å; F202-L265 HydrophobicContact CG-CD2 4.19Å; F202-L265 HydrophobicContact CZ-CD1 4.3Å; L265-D283 HydrophobicContact CD1-CB 3.94Å; L265-D283 HydrophobicContact CG-CB 4.39Å; L265-L311 HydrophobicContact CD1-CD2 3.54Å; L265-L311 HydrophobicContact CD1-CG 4.23Å |
| 266 | G | 92.6 | Very high | 90.4 | Very high | 10 Ų | 10 | 32.5 Ų | 32.5 | 10% | 0.103 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 176.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V284 | G266-V284 PolarHBondContact N-O 2.95Å; G266-V284 PolarHBondContact O-N 2.68Å; G266-V284 VanDerWaalsContact O-O 3.07Å |
| 267 | K | 93.1 | Very high | 91.7 | Very high | 89 Ų | 89 | 33.1 Ų | 33.1 | 39% | 0.387 | 17% | 0.168 | S | C | . | . | trans | -87.6 | 167.9 | 169.9 | -60.1 | -55.5 | -173.6 | -175.1 | 0 | 110.7 | E281 D283 Y286 T397 | K267-E281 PolarHBondContact NZ-O 3.29Å; K267-D283 WeakPolarHBondContact CE-OD1 3.1Å; K267-D283 IonicContact NZ-OD1 3.57Å; K267-D283 PolarHBondContact NZ-OD1 3.03Å; K267-Y286 PolarHBondContact O-OH 3.5Å; K267-T397 HydrophobicContact CB-CG2 4.22Å | ||
| 268 | A | 91.9 | Very high | 92 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | trans | -106.7 | 133.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L272 A273 V284 | A268-L272 HydrophobicContact CB-CB 4.1Å; A268-L272 HydrophobicContact CB-CD2 4.03Å; A268-L272 HydrophobicContact CB-CG 4.08Å; A268-A273 HydrophobicContact CB-CB 4.02Å; A268-V284 HydrophobicContact CB-CG2 3.91Å | ||
| 269 | G | 91 | Very high | 92.3 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -62.4 | 158.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | D271 L272 A273 M400 T402 | G269-D271 VanDerWaalsContact C-N 3.28Å; G269-D271 PolarHBondContact O-N 2.59Å; G269-D271 VanDerWaalsContact O-N 3.15Å; G269-L272 PolarHBondContact O-N 3.18Å; G269-A273 PolarHBondContact O-N 3.46Å; G269-M400 CarbonylContact C-O 3.54Å; G269-T402 PolarHBondContact N-OG1 2.93Å | ||
| 270 | F | 91.1 | Very high | 92.4 | Very high | 93 Ų | 93 | 44.4 Ų | 44.4 | 41% | 0.408 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -49.9 | -42.7 | -174 | -179 | -88 | 0 | 0 | 0 | 114.3 | L272 A273 R274 T280 M400 | F270-L272 VanDerWaalsContact C-N 3.34Å; F270-L272 PolarHBondContact O-N 3.21Å; F270-A273 PolarHBondContact O-N 3.4Å; F270-R274 VanDerWaalsContact O-CB 3.26Å; F270-R274 WeakPolarHBondContact O-CB 3.39Å; F270-R274 PolarHBondContact O-N 3.35Å; F270-T280 HydrophobicContact CB-CG2 4.39Å; F270-M400 HydrophobicContact CB-CB 4.22Å; F270-M400 HydrophobicContact CB-CE 3.68Å; F270-M400 HydrophobicContact CB-SD 3.66Å; F270-M400 HydrophobicContact CD1-CE 3.29Å; F270-M400 HydrophobicContact CD1-SD 4.41Å; F270-M400 HydrophobicContact CD2-CE 4.04Å; F270-M400 HydrophobicContact CE1-CE 3.85Å; F270-M400 HydrophobicContact CG-CE 3.39Å; F270-M400 HydrophobicContact CG-SD 4.04Å; F270-M400 HydrophobicContact CZ-CE 4.43Å; F270-M400 PolarHBondContact N-O 3.4Å |
| 271 | D | 89.8 | Confident | 92.3 | Very high | 21 Ų | 21 | 51.5 Ų | 51.5 | 11% | 0.112 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | -178.8 | -94.9 | -7.8 | 0 | 0 | 0 | 111.9 | G269 R274 N275 M400 K516 | G269-D271 VanDerWaalsContact C-N 3.28Å; G269-D271 PolarHBondContact O-N 2.59Å; G269-D271 VanDerWaalsContact O-N 3.15Å; D271-R274 IonicContact OD1-CZ 2.85Å; D271-R274 IonicContact OD1-NH1 2.66Å; D271-R274 IonicContact OD1-NH2 3.9Å; D271-R274 PolarHBondContact OD1-NH2 2.93Å; D271-N275 PolarHBondContact O-N 2.71Å; D271-M400 PolarHBondContact N-O 3.47Å; D271-K516 IonicContact OD2-NZ 3.74Å; D271-K516 PolarHBondContact OD2-NZ 2.87Å |
| 272 | L | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -75.7 | -40.5 | 178.4 | -175.7 | 62.8 | 0 | 0 | 0 | 112 | A268 G269 F270 R274 N275 F276 Y286 V308 T402 V418 | A268-L272 HydrophobicContact CB-CB 4.1Å; A268-L272 HydrophobicContact CB-CD2 4.03Å; A268-L272 HydrophobicContact CB-CG 4.08Å; G269-L272 PolarHBondContact O-N 3.18Å; F270-L272 VanDerWaalsContact C-N 3.34Å; F270-L272 PolarHBondContact O-N 3.21Å; L272-R274 PolarHBondContact O-N 2.89Å; L272-N275 WeakPolarHBondContact O-CB 3.4Å; L272-N275 PolarHBondContact O-N 2.71Å; L272-N275 VanDerWaalsContact O-N 3.15Å; L272-F276 HydrophobicContact CD1-CD2 3.91Å; L272-F276 HydrophobicContact CD1-CE2 3.64Å; L272-F276 HydrophobicContact CG-CD2 4.02Å; L272-F276 HydrophobicContact CG-CE2 4.03Å; L272-F276 WeakPolarHBondContact O-CD2 3.45Å; L272-F276 PolarHBondContact O-N 2.73Å; L272-Y286 HydrophobicContact CD2-CE1 4.13Å; L272-Y286 WeakPolarHBondContact CD2-OH 3.41Å; L272-V308 HydrophobicContact CD2-CG1 4.4Å; L272-T402 HydrophobicContact CD2-CG2 3.96Å; L272-T402 WeakPolarHBondContact CD2-OG1 3.46Å; L272-V418 HydrophobicContact CD1-CG1 4.08Å; L272-V418 HydrophobicContact CD2-CG1 3.95Å |
| 273 | A | 92.8 | Very high | 92.4 | Very high | 3 Ų | 3 | 53.5 Ų | 53.5 | 3% | 0.025 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A268 G269 F270 N275 F276 S277 I278 T280 | A268-A273 HydrophobicContact CB-CB 4.02Å; G269-A273 PolarHBondContact O-N 3.46Å; F270-A273 PolarHBondContact O-N 3.4Å; A273-N275 VanDerWaalsContact C-N 3.31Å; A273-N275 PolarHBondContact O-N 3.12Å; A273-F276 PolarHBondContact O-N 3.37Å; A273-S277 PolarHBondContact O-N 3.38Å; A273-I278 CarbonylContact C-O 3.51Å; A273-I278 HydrophobicContact CB-CG1 4.16Å; A273-I278 PolarHBondContact O-N 2.94Å; A273-T280 HydrophobicContact CB-CG2 3.83Å |
| 274 | R | 91.9 | Very high | 92.4 | Very high | 152 Ų | 152 | 53.1 Ų | 53.1 | 57% | 0.574 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.3 | -38.8 | 173 | -175.4 | -175 | 64.5 | -159.1 | -15.2 | 112 | F270 D271 L272 S277 | F270-R274 VanDerWaalsContact O-CB 3.26Å; F270-R274 WeakPolarHBondContact O-CB 3.39Å; F270-R274 PolarHBondContact O-N 3.35Å; D271-R274 IonicContact OD1-CZ 2.85Å; D271-R274 IonicContact OD1-NH1 2.66Å; D271-R274 IonicContact OD1-NH2 3.9Å; D271-R274 PolarHBondContact OD1-NH2 2.93Å; L272-R274 PolarHBondContact O-N 2.89Å; R274-S277 PolarHBondContact O-N 2.94Å |
| 275 | N | 91.4 | Very high | 92.4 | Very high | 79 Ų | 79 | 52 Ų | 52 | 42% | 0.422 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.9 | -38.6 | 178.5 | -178.2 | -113.5 | 0 | 0 | 0 | 112.6 | D271 L272 A273 S277 S420 A421 | D271-N275 PolarHBondContact O-N 2.71Å; L272-N275 WeakPolarHBondContact O-CB 3.4Å; L272-N275 PolarHBondContact O-N 2.71Å; L272-N275 VanDerWaalsContact O-N 3.15Å; A273-N275 VanDerWaalsContact C-N 3.31Å; A273-N275 PolarHBondContact O-N 3.12Å; N275-S277 VanDerWaalsContact C-N 3.31Å; N275-S420 WeakPolarHBondContact OD1-CB 3.36Å; N275-A421 WeakPolarHBondContact OD1-CB 3.45Å; N275-A421 PolarHBondContact OD1-N 2.82Å |
| 276 | F | 89.1 | Confident | 92.5 | Very high | 33 Ų | 33 | 50.6 Ų | 50.6 | 15% | 0.145 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -79.2 | -6.6 | 172.8 | -81.1 | -65.7 | 0 | 0 | 0 | 114.7 | L272 A273 I278 V308 A421 | L272-F276 HydrophobicContact CD1-CD2 3.91Å; L272-F276 HydrophobicContact CD1-CE2 3.64Å; L272-F276 HydrophobicContact CG-CD2 4.02Å; L272-F276 HydrophobicContact CG-CE2 4.03Å; L272-F276 WeakPolarHBondContact O-CD2 3.45Å; L272-F276 PolarHBondContact O-N 2.73Å; A273-F276 PolarHBondContact O-N 3.37Å; F276-I278 HydrophobicContact CB-CB 4.46Å; F276-I278 HydrophobicContact CB-CD1 3.85Å; F276-I278 HydrophobicContact CB-CG1 3.8Å; F276-I278 HydrophobicContact CB-CG2 4.1Å; F276-I278 HydrophobicContact CD2-CD1 4.45Å; F276-I278 HydrophobicContact CG-CD1 4.41Å; F276-I278 PolarHBondContact O-N 3.04Å; F276-V308 HydrophobicContact CE2-CB 4.44Å; F276-V308 HydrophobicContact CE2-CG1 3.74Å; F276-V308 HydrophobicContact CZ-CB 4.21Å; F276-V308 HydrophobicContact CZ-CG1 3.91Å; F276-V308 VanDerWaalsContact CZ-O 3.3Å; F276-V308 WeakPolarHBondContact CZ-O 3.26Å; F276-A421 HydrophobicContact CD1-CB 4.39Å; F276-A421 HydrophobicContact CE1-CB 3.63Å; F276-A421 HydrophobicContact CE2-CB 3.94Å; F276-A421 HydrophobicContact CZ-CB 3.35Å |
| 277 | S | 92.3 | Very high | 92.6 | Very high | 113 Ų | 113 | 50.1 Ų | 50.1 | 79% | 0.79 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.2 | 35 | -169.6 | -55.5 | 0 | 0 | 0 | 0 | 113.9 | A273 R274 N275 | A273-S277 PolarHBondContact O-N 3.38Å; R274-S277 PolarHBondContact O-N 2.94Å; N275-S277 VanDerWaalsContact C-N 3.31Å |
| 278 | I | 91.9 | Very high | 92.8 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 14% | 0.138 | 22% | 0.224 | C | C | . | . | trans | -111.8 | 169.1 | 175.9 | 66.1 | -178.1 | 0 | 0 | 0 | 110.6 | A273 F276 D282 V284 P312 | A273-I278 CarbonylContact C-O 3.51Å; A273-I278 HydrophobicContact CB-CG1 4.16Å; A273-I278 PolarHBondContact O-N 2.94Å; F276-I278 HydrophobicContact CB-CB 4.46Å; F276-I278 HydrophobicContact CB-CD1 3.85Å; F276-I278 HydrophobicContact CB-CG1 3.8Å; F276-I278 HydrophobicContact CB-CG2 4.1Å; F276-I278 HydrophobicContact CD2-CD1 4.45Å; F276-I278 HydrophobicContact CG-CD1 4.41Å; F276-I278 PolarHBondContact O-N 3.04Å; I278-D282 HydrophobicContact CB-CB 4.11Å; I278-D282 HydrophobicContact CD1-CB 4.37Å; I278-V284 HydrophobicContact CD1-CG2 3.56Å; I278-P312 HydrophobicContact CG2-CG 4.16Å | ||
| 279 | R | 92.4 | Very high | 92.9 | Very high | 162 Ų | 162 | 45.8 Ų | 45.8 | 61% | 0.611 | 22% | 0.223 | S | C | * | . | trans | -81.5 | 154.5 | 171.8 | -54.3 | 169.6 | -64.7 | 167.6 | 5.1 | 109.4 | E281 D282 | R279-E281 PolarHBondContact O-N 3.21Å; R279-E281 VanDerWaalsContact O-N 3.14Å; R279-D282 VanDerWaalsContact CB-OD2 3.26Å; R279-D282 WeakPolarHBondContact CB-OD2 3.35Å; R279-D282 IonicContact CZ-OD1 2.61Å; R279-D282 PolarHBondContact N-OD2 3.43Å; R279-D282 IonicContact NE-OD1 3.97Å; R279-D282 PolarHBondContact NE-OD1 2.74Å; R279-D282 IonicContact NE-OD2 2.67Å; R279-D282 PolarHBondContact NE-OD2 2.81Å; R279-D282 VanDerWaalsContact NE-OD2 3.16Å; R279-D282 IonicContact NH2-OD1 3.14Å; R279-D282 PolarHBondContact NH2-OD1 2.71Å; R279-D282 IonicContact NH2-OD2 2.78Å; R279-D282 WeakPolarHBondContact O-CB 3.44Å; R279-D282 PolarHBondContact O-N 3.02Å | ||
| 280 | T | 90.6 | Very high | 92.9 | Very high | 68 Ų | 68 | 45.7 Ų | 45.7 | 42% | 0.417 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.8 | 173.6 | 47.7 | 0 | 0 | 0 | 0 | 113.4 | F270 A273 | F270-T280 HydrophobicContact CB-CG2 4.39Å; A273-T280 HydrophobicContact CB-CG2 3.83Å |
| 281 | E | 91 | Very high | 92.8 | Very high | 149 Ų | 149 | 42.8 Ų | 42.8 | 70% | 0.696 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -14.1 | 174.3 | -66 | -174.5 | -124.6 | 0 | 0 | 113.9 | K267 R279 | K267-E281 PolarHBondContact NZ-O 3.29Å; R279-E281 PolarHBondContact O-N 3.21Å; R279-E281 VanDerWaalsContact O-N 3.14Å |
| 282 | D | 92.7 | Very high | 92.4 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 16% | 0.16 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -75.9 | 147.3 | 178.1 | -62.7 | -42.8 | 0 | 0 | 0 | 110.6 | I278 R279 P312 | I278-D282 HydrophobicContact CB-CB 4.11Å; I278-D282 HydrophobicContact CD1-CB 4.37Å; R279-D282 VanDerWaalsContact CB-OD2 3.26Å; R279-D282 WeakPolarHBondContact CB-OD2 3.35Å; R279-D282 IonicContact CZ-OD1 2.61Å; R279-D282 PolarHBondContact N-OD2 3.43Å; R279-D282 IonicContact NE-OD1 3.97Å; R279-D282 PolarHBondContact NE-OD1 2.74Å; R279-D282 IonicContact NE-OD2 2.67Å; R279-D282 PolarHBondContact NE-OD2 2.81Å; R279-D282 VanDerWaalsContact NE-OD2 3.16Å; R279-D282 IonicContact NH2-OD1 3.14Å; R279-D282 PolarHBondContact NH2-OD1 2.71Å; R279-D282 IonicContact NH2-OD2 2.78Å; R279-D282 WeakPolarHBondContact O-CB 3.44Å; R279-D282 PolarHBondContact O-N 3.02Å; D282-P312 HydrophobicContact CB-CG 4.35Å |
| 283 | D | 95 | Very high | 91.6 | Very high | 28 Ų | 28 | 45.3 Ų | 45.3 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | trans | -79.5 | 143.5 | -176.5 | -69.3 | -40.6 | 0 | 0 | 0 | 112.8 | S204 L265 K267 L311 | S204-D283 WeakPolarHBondContact CB-OD2 3.1Å; S204-D283 PolarHBondContact OG-OD2 3.09Å; L265-D283 HydrophobicContact CD1-CB 3.94Å; L265-D283 HydrophobicContact CG-CB 4.39Å; K267-D283 WeakPolarHBondContact CE-OD1 3.1Å; K267-D283 IonicContact NZ-OD1 3.57Å; K267-D283 PolarHBondContact NZ-OD1 3.03Å; D283-L311 HydrophobicContact CB-CB 4.1Å; D283-L311 HydrophobicContact CB-CD2 4.08Å; D283-L311 HydrophobicContact CB-CG 4.01Å; D283-L311 WeakPolarHBondContact O-CB 3.21Å; D283-L311 PolarHBondContact O-N 2.79Å | ||
| 284 | V | 95.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 131.2 | 175.7 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | G266 A268 I278 Y286 V308 | G266-V284 PolarHBondContact N-O 2.95Å; G266-V284 PolarHBondContact O-N 2.68Å; G266-V284 VanDerWaalsContact O-O 3.07Å; A268-V284 HydrophobicContact CB-CG2 3.91Å; I278-V284 HydrophobicContact CD1-CG2 3.56Å; V284-Y286 HydrophobicContact CB-CE2 3.93Å; V284-Y286 HydrophobicContact CG1-CD2 4.38Å; V284-Y286 HydrophobicContact CG1-CE1 4.04Å; V284-Y286 HydrophobicContact CG1-CE2 3.79Å; V284-Y286 WeakPolarHBondContact O-CD2 3.25Å; V284-Y286 WeakPolarHBondContact O-CE2 3.34Å; V284-V308 HydrophobicContact CG1-CG1 3.34Å |
| 285 | L | 96.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 119.4 | 178.2 | -178.9 | 67 | 0 | 0 | 0 | 109.8 | F202 I211 V228 A263 V287 Y309 L311 I314 | F202-L285 HydrophobicContact CD1-CD1 4.35Å; F202-L285 HydrophobicContact CE1-CD1 3.64Å; F202-L285 HydrophobicContact CE1-CD2 4.35Å; F202-L285 HydrophobicContact CZ-CD1 3.96Å; F202-L285 HydrophobicContact CZ-CD2 4.25Å; I211-L285 HydrophobicContact CD1-CD1 3.97Å; I211-L285 HydrophobicContact CD1-CD2 3.91Å; I211-L285 HydrophobicContact CD1-CG 4.38Å; V228-L285 HydrophobicContact CG2-CD2 4.42Å; A263-L285 HydrophobicContact CB-CD1 4.34Å; L285-V287 HydrophobicContact CD1-CG2 4.35Å; L285-V287 HydrophobicContact CD2-CG2 3.79Å; L285-V287 HydrophobicContact CG-CG2 3.64Å; L285-Y309 PolarHBondContact N-O 3.38Å; L285-Y309 PolarHBondContact O-N 3.05Å; L285-L311 HydrophobicContact CB-CD2 3.69Å; L285-I314 HydrophobicContact CB-CD1 4.3Å; L285-I314 HydrophobicContact CD2-CD1 3.86Å |
| 286 | Y | 96.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.9 | 176.1 | -56.6 | -92.5 | 0 | 0 | 0 | 107.8 | A263 Y264 K267 L272 V284 V308 T395 T402 | A263-Y286 CarbonylContact C-O 3.59Å; A263-Y286 WeakPolarHBondContact CA-O 3.47Å; A263-Y286 WeakPolarHBondContact CB-O 3.44Å; Y264-Y286 PolarHBondContact N-O 2.83Å; Y264-Y286 PolarHBondContact O-N 3.36Å; K267-Y286 PolarHBondContact O-OH 3.5Å; L272-Y286 HydrophobicContact CD2-CE1 4.13Å; L272-Y286 WeakPolarHBondContact CD2-OH 3.41Å; V284-Y286 HydrophobicContact CB-CE2 3.93Å; V284-Y286 HydrophobicContact CG1-CD2 4.38Å; V284-Y286 HydrophobicContact CG1-CE1 4.04Å; V284-Y286 HydrophobicContact CG1-CE2 3.79Å; V284-Y286 WeakPolarHBondContact O-CD2 3.25Å; V284-Y286 WeakPolarHBondContact O-CE2 3.34Å; Y286-V308 HydrophobicContact CD1-CB 4.43Å; Y286-V308 HydrophobicContact CD1-CG1 3.82Å; Y286-V308 HydrophobicContact CD1-CG2 3.9Å; Y286-V308 HydrophobicContact CE1-CG1 3.64Å; Y286-V308 HydrophobicContact CE1-CG2 4.25Å; Y286-T395 HydrophobicContact CD1-CG2 3.74Å; Y286-T395 HydrophobicContact CD2-CG2 3.6Å; Y286-T395 WeakPolarHBondContact CD2-OG1 3.33Å; Y286-T395 HydrophobicContact CE1-CG2 4.1Å; Y286-T395 HydrophobicContact CE2-CG2 3.98Å; Y286-T395 WeakPolarHBondContact CE2-OG1 2.84Å; Y286-T395 HydrophobicContact CG-CG2 3.49Å; Y286-T395 VanDerWaalsContact CG-CG2 3.49Å; Y286-T402 HydrophobicContact CE1-CG2 4Å; Y286-T402 VanDerWaalsContact OH-CG2 3.23Å; Y286-T402 WeakPolarHBondContact OH-CG2 3.11Å |
| 287 | V | 95.9 | Very high | 85.8 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 128.2 | -175.9 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | I211 L246 A260 A263 L285 F289 C307 Y309 | I211-V287 HydrophobicContact CD1-CG2 4.23Å; L246-V287 HydrophobicContact CD1-CG1 4.41Å; L246-V287 HydrophobicContact CD1-CG2 4.26Å; A260-V287 HydrophobicContact CB-CG1 3.77Å; A263-V287 HydrophobicContact CB-CB 4.44Å; A263-V287 HydrophobicContact CB-CG1 4.31Å; A263-V287 HydrophobicContact CB-CG2 4.09Å; L285-V287 HydrophobicContact CD1-CG2 4.35Å; L285-V287 HydrophobicContact CD2-CG2 3.79Å; L285-V287 HydrophobicContact CG-CG2 3.64Å; V287-F289 HydrophobicContact CB-CD2 4.27Å; V287-F289 HydrophobicContact CB-CE2 3.57Å; V287-F289 HydrophobicContact CB-CZ 4.08Å; V287-F289 HydrophobicContact CG1-CD2 3.94Å; V287-F289 HydrophobicContact CG1-CE1 4.24Å; V287-F289 HydrophobicContact CG1-CE2 3.4Å; V287-F289 HydrophobicContact CG1-CZ 3.57Å; V287-C307 PolarHBondContact N-O 2.89Å; V287-C307 PolarHBondContact O-N 3.45Å; V287-Y309 HydrophobicContact CB-CE2 4.27Å; V287-Y309 HydrophobicContact CG2-CD2 4.08Å; V287-Y309 HydrophobicContact CG2-CE2 4.13Å |
| 288 | L | 96.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 135.3 | 170.8 | -66.6 | 176.6 | 0 | 0 | 0 | 109.8 | A260 T261 A262 V305 L306 L390 A392 V393 L406 | A260-L288 CarbonylContact C-O 3.35Å; A260-L288 WeakPolarHBondContact CA-O 3.46Å; T261-L288 PolarHBondContact N-O 2.79Å; T261-L288 WeakPolarHBondContact OG1-CB 3.15Å; A262-L288 HydrophobicContact CB-CD1 4.35Å; A262-L288 PolarHBondContact O-N 3.18Å; L288-V305 CarbonylContact C-O 3.54Å; L288-V305 VanDerWaalsContact CA-O 3.26Å; L288-V305 WeakPolarHBondContact CA-O 3.44Å; L288-L306 HydrophobicContact CD2-CB 3.9Å; L288-L306 HydrophobicContact CD2-CD1 3.77Å; L288-L306 HydrophobicContact CD2-CG 4.41Å; L288-L306 HydrophobicContact CG-CD1 4.45Å; L288-L390 HydrophobicContact CD1-CB 3.67Å; L288-L390 HydrophobicContact CD2-CB 4.05Å; L288-L390 HydrophobicContact CD2-CD1 3.6Å; L288-L390 HydrophobicContact CD2-CG 4.5Å; L288-L390 HydrophobicContact CG-CB 4.35Å; L288-A392 VanDerWaalsContact CD1-O 3.29Å; L288-A392 WeakPolarHBondContact CD1-O 2.81Å; L288-V393 HydrophobicContact CD1-CB 3.8Å; L288-V393 HydrophobicContact CD1-CG1 4.04Å; L288-V393 HydrophobicContact CG-CB 3.99Å; L288-V393 HydrophobicContact CG-CG1 3.99Å; L288-L406 HydrophobicContact CD2-CD2 4.25Å |
| 289 | F | 93.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.9 | 176.3 | -63.4 | -101 | 0 | 0 | 0 | 112.5 | L246 C248 L259 A260 V287 S304 V305 C307 Y309 | L246-F289 HydrophobicContact CB-CE1 3.98Å; L246-F289 HydrophobicContact CB-CZ 3.71Å; L246-F289 HydrophobicContact CD1-CE1 4.39Å; L246-F289 HydrophobicContact CD1-CZ 3.8Å; L246-F289 HydrophobicContact CG-CZ 4.42Å; C248-F289 HydrophobicContact CB-CB 4.43Å; C248-F289 HydrophobicContact CB-CD1 4.42Å; C248-F289 HydrophobicContact CB-CD2 3.51Å; C248-F289 HydrophobicContact CB-CE2 3.67Å; C248-F289 HydrophobicContact CB-CG 3.91Å; C248-F289 HydrophobicContact CB-CZ 4.21Å; L259-F289 CarbonylContact O-C 3.5Å; L259-F289 VanDerWaalsContact O-CA 3.29Å; L259-F289 WeakPolarHBondContact O-CA 3.4Å; A260-F289 HydrophobicContact CB-CD1 4.24Å; A260-F289 HydrophobicContact CB-CE1 4.18Å; V287-F289 HydrophobicContact CB-CD2 4.27Å; V287-F289 HydrophobicContact CB-CE2 3.57Å; V287-F289 HydrophobicContact CB-CZ 4.08Å; V287-F289 HydrophobicContact CG1-CD2 3.94Å; V287-F289 HydrophobicContact CG1-CE1 4.24Å; V287-F289 HydrophobicContact CG1-CE2 3.4Å; V287-F289 HydrophobicContact CG1-CZ 3.57Å; F289-S304 CarbonylContact O-C 3.53Å; F289-S304 VanDerWaalsContact O-CA 3.24Å; F289-S304 WeakPolarHBondContact O-CA 3.49Å; F289-V305 HydrophobicContact CB-CG2 3.81Å; F289-V305 PolarHBondContact N-O 2.94Å; F289-V305 PolarHBondContact O-N 2.74Å; F289-C307 HydrophobicContact CD2-CB 4.27Å; F289-C307 HydrophobicContact CE2-CB 3.94Å; F289-Y309 AromaticContact CE2-CE2 3.99Å; F289-Y309 HydrophobicContact CE2-CE2 3.99Å; F289-Y309 HydrophobicContact CZ-CE2 4.26Å |
| 290 | S | 91.9 | Very high | 83.7 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 159.4 | 167 | -64 | 0 | 0 | 0 | 0 | 110.5 | T258 L259 T261 P300 G301 R303 S304 | T258-S290 PolarHBondContact N-O 2.85Å; T258-S290 VanDerWaalsContact N-O 3.08Å; L259-S290 PolarHBondContact N-O 3.06Å; L259-S290 PolarHBondContact O-N 3.13Å; T261-S290 VanDerWaalsContact CG2-OG 3.28Å; T261-S290 WeakPolarHBondContact CG2-OG 3.06Å; S290-P300 VanDerWaalsContact CB-CB 3.45Å; S290-G301 PolarHBondContact OG-O 3.32Å; S290-R303 WeakPolarHBondContact CA-O 3.3Å; S290-R303 WeakPolarHBondContact CB-O 3.46Å; S290-R303 PolarHBondContact OG-O 3.01Å; S290-S304 PolarHBondContact OG-OG 3.49Å |
| 291 | P | 88.1 | Confident | 83.3 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 21% | 0.208 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -71.2 | 160 | 167.5 | 32.7 | -34 | 0 | 0 | 0 | 110.4 | Y257 G301 R303 | Y257-P291 HydrophobicContact CE1-CG 4.49Å; P291-G301 PolarHBondContact O-N 3.11Å; P291-R303 WeakPolarHBondContact CD-O 3.36Å; P291-R303 HydrophobicContact CG-CB 4.19Å |
| 292 | N | 81.7 | Confident | 83 | Confident | 30 Ų | 30 | 39.8 Ų | 39.8 | 16% | 0.16 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 140.8 | 163.9 | -78.2 | -86.1 | 0 | 0 | 0 | 109.5 | L223 Y224 T258 L259 | L223-N292 HydrophobicContact CD2-CB 4.12Å; Y224-N292 PolarHBondContact N-OD1 3.34Å; Y224-N292 PolarHBondContact O-ND2 3.41Å; T258-N292 PolarHBondContact OG1-ND2 3.32Å; L259-N292 HydrophobicContact CD1-CB 4.44Å |
| 293 | V | 76.2 | Confident | 82.8 | Confident | 46 Ų | 46 | 43.9 Ų | 43.9 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 135.4 | 169.2 | 175.7 | 0 | 0 | 0 | 0 | 109.3 | G295 E296 | V293-G295 PolarHBondContact O-N 2.86Å; V293-E296 HydrophobicContact CB-CB 4.09Å; V293-E296 HydrophobicContact CG1-CB 3.98Å; V293-E296 HydrophobicContact CG1-CG 4.24Å; V293-E296 PolarHBondContact O-N 2.93Å |
| 294 | E | 65.4 | Low | 82.7 | Confident | 143 Ų | 143 | 42.6 Ų | 42.6 | 67% | 0.668 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 120.8 | 177.2 | -67.6 | -172.7 | 170.6 | 0 | 0 | 110.5 | E296 | E294-E296 PolarHBondContact O-N 3.1Š|
| 295 | G | 55.5 | Low | 82.6 | Confident | 53 Ų | 53 | 42.6 Ų | 42.6 | 55% | 0.546 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -23.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | V293 | V293-G295 PolarHBondContact O-N 2.86Š|
| 296 | E | 60.6 | Low | 82.5 | Confident | 51 Ų | 51 | 42.6 Ų | 42.6 | 24% | 0.238 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 113.9 | -179.5 | -63.2 | -172.7 | 145.4 | 0 | 0 | 111.8 | V293 E294 Q299 | V293-E296 HydrophobicContact CB-CB 4.09Å; V293-E296 HydrophobicContact CG1-CB 3.98Å; V293-E296 HydrophobicContact CG1-CG 4.24Å; V293-E296 PolarHBondContact O-N 2.93Å; E294-E296 PolarHBondContact O-N 3.1Å; E296-Q299 HydrophobicContact CB-CB 3.92Å; E296-Q299 PolarHBondContact OE2-NE2 2.95Å |
| 297 | R | 63.2 | Low | 82.4 | Confident | 131 Ų | 131 | 42.6 Ų | 42.6 | 49% | 0.494 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 146 | -178.2 | -62.3 | 179.7 | -169.9 | 160.2 | -0.3 | 111.2 | R220 Y224 Q299 | R220-R297 PolarHBondContact O-NE 2.92Å; R220-R297 PolarHBondContact O-NH1 3.48Å; R220-R297 PolarHBondContact O-NH2 2.82Å; Y224-R297 HydrophobicContact CD2-CB 4.36Å; Y224-R297 HydrophobicContact CE2-CB 3.9Å; Y224-R297 HydrophobicContact CE2-CG 4.49Å; R297-Q299 PolarHBondContact O-N 3.26Å |
| 298 | N | 71.8 | Confident | 82.4 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.112 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 61.3 | -2.6 | -179.6 | -153.2 | -1.5 | 0 | 0 | 0 | 115.1 | D195 R213 Y224 P300 | D195-N298 PolarHBondContact OD2-ND2 3.43Å; R213-N298 WeakPolarHBondContact CD-OD1 3.42Å; R213-N298 PolarHBondContact NH1-O 3.26Å; R213-N298 PolarHBondContact NH1-OD1 3.45Å; Y224-N298 HydrophobicContact CD1-CB 3.72Å; Y224-N298 HydrophobicContact CE1-CB 3.44Å; Y224-N298 VanDerWaalsContact CE1-CB 3.44Å; Y224-N298 VanDerWaalsContact CE1-CG 3.4Å; Y224-N298 HydrophobicContact CG-CB 4.41Å; N298-P300 WeakPolarHBondContact O-CD 3.5Å |
| 299 | Q | 76.4 | Confident | 82.4 | Confident | 98 Ų | 98 | 42.7 Ų | 42.7 | 46% | 0.458 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 116.9 | -176.5 | -164.8 | 147.5 | -43 | 0 | 0 | 110 | L259 E296 R297 | L259-Q299 WeakPolarHBondContact CD1-O 3.41Å; E296-Q299 HydrophobicContact CB-CB 3.92Å; E296-Q299 PolarHBondContact OE2-NE2 2.95Å; R297-Q299 PolarHBondContact O-N 3.26Å |
| 300 | P | 82.9 | Confident | 82.4 | Confident | 28 Ų | 28 | 42.8 Ų | 42.8 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 132.7 | 177.5 | 28.1 | -34.3 | 0 | 0 | 0 | 111.4 | T261 S290 N298 | T261-P300 HydrophobicContact CG2-CB 3.73Å; T261-P300 HydrophobicContact CG2-CG 4.23Å; S290-P300 VanDerWaalsContact CB-CB 3.45Å; N298-P300 WeakPolarHBondContact O-CD 3.5Å |
| 301 | G | 83.5 | Confident | 82.5 | Confident | 8 Ų | 8 | 43 Ų | 43 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -70 | 167.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S290 P291 R303 | S290-G301 PolarHBondContact OG-O 3.32Å; P291-G301 PolarHBondContact O-N 3.11Å; G301-R303 VanDerWaalsContact C-N 3.29Å; G301-R303 PolarHBondContact O-N 2.97Å |
| 302 | Q | 83.3 | Confident | 82.6 | Confident | 136 Ų | 136 | 44 Ų | 44 | 64% | 0.636 | 22% | 0.224 | S | C | * | . | S | Bend | trans | -62.8 | -31.1 | -178.8 | -71.6 | -178.8 | -12.7 | 0 | 0 | 113.7 | V388 Q389 | Q302-V388 CarbonylContact O-C 3.42Å; Q302-Q389 WeakPolarHBondContact O-CA 3.31Å; Q302-Q389 PolarHBondContact O-N 2.74Å |
| 303 | R | 88.8 | Confident | 83.1 | Confident | 117 Ų | 117 | 45 Ų | 45 | 44% | 0.442 | 23% | 0.233 | S | C | . | . | trans | -68.8 | 142.7 | 175 | -67.9 | 175.4 | -177.6 | 173.7 | 3.2 | 110.6 | Y257 S290 P291 G301 E385 E386 | Y257-R303 HydrophobicContact CE1-CB 3.92Å; S290-R303 WeakPolarHBondContact CA-O 3.3Å; S290-R303 WeakPolarHBondContact CB-O 3.46Å; S290-R303 PolarHBondContact OG-O 3.01Å; P291-R303 WeakPolarHBondContact CD-O 3.36Å; P291-R303 HydrophobicContact CG-CB 4.19Å; G301-R303 VanDerWaalsContact C-N 3.29Å; G301-R303 PolarHBondContact O-N 2.97Å; R303-E385 WeakPolarHBondContact CA-O 2.78Å; R303-E386 WeakPolarHBondContact CG-O 3.41Å | ||
| 304 | S | 92.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 151.4 | 178 | -70.4 | 0 | 0 | 0 | 0 | 112.9 | F289 S290 E385 Q389 L390 | F289-S304 CarbonylContact O-C 3.53Å; F289-S304 VanDerWaalsContact O-CA 3.24Å; F289-S304 WeakPolarHBondContact O-CA 3.49Å; S290-S304 PolarHBondContact OG-OG 3.49Å; S304-E385 PolarHBondContact N-O 3.2Å; S304-E385 PolarHBondContact O-N 2.98Å; S304-Q389 WeakPolarHBondContact OG-CA 3.01Å; S304-L390 PolarHBondContact OG-N 2.84Å |
| 305 | V | 93.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 152.6 | 177.4 | -63.6 | 0 | 0 | 0 | 0 | 111 | C248 A250 Y257 L288 F289 A381 L383 V384 | C248-V305 HydrophobicContact CB-CG2 4.37Å; C248-V305 WeakPolarHBondContact SG-CG2 3.42Å; A250-V305 HydrophobicContact CB-CG1 4.19Å; Y257-V305 VanDerWaalsContact CB-CG2 3.5Å; Y257-V305 HydrophobicContact CD1-CB 4.25Å; Y257-V305 HydrophobicContact CD1-CG1 3.71Å; Y257-V305 HydrophobicContact CD1-CG2 3.6Å; Y257-V305 HydrophobicContact CD2-CG1 3.96Å; Y257-V305 HydrophobicContact CD2-CG2 4.14Å; Y257-V305 HydrophobicContact CE1-CG1 3.59Å; Y257-V305 HydrophobicContact CE1-CG2 4.34Å; Y257-V305 HydrophobicContact CE2-CG1 3.86Å; Y257-V305 HydrophobicContact CG-CB 4.36Å; Y257-V305 HydrophobicContact CG-CG1 3.89Å; Y257-V305 HydrophobicContact CG-CG2 3.47Å; Y257-V305 VanDerWaalsContact CG-CG2 3.47Å; L288-V305 CarbonylContact C-O 3.54Å; L288-V305 VanDerWaalsContact CA-O 3.26Å; L288-V305 WeakPolarHBondContact CA-O 3.44Å; F289-V305 HydrophobicContact CB-CG2 3.81Å; F289-V305 PolarHBondContact N-O 2.94Å; F289-V305 PolarHBondContact O-N 2.74Å; V305-A381 HydrophobicContact CB-CB 3.87Å; V305-A381 HydrophobicContact CG1-CB 4.11Å; V305-L383 CarbonylContact C-O 3.55Å; V305-L383 WeakPolarHBondContact CA-O 3.45Å; V305-L383 WeakPolarHBondContact CB-O 2.96Å; V305-V384 HydrophobicContact CG1-CB 4.28Å; V305-V384 HydrophobicContact CG1-CG1 4.07Å; V305-V384 HydrophobicContact CG1-CG2 4.02Å |
| 306 | L | 95.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 116.6 | 170.1 | 176 | 64.7 | 0 | 0 | 0 | 109.1 | L288 V308 A381 A382 L383 V393 A404 L406 V418 | L288-L306 HydrophobicContact CD2-CB 3.9Å; L288-L306 HydrophobicContact CD2-CD1 3.77Å; L288-L306 HydrophobicContact CD2-CG 4.41Å; L288-L306 HydrophobicContact CG-CD1 4.45Å; L306-V308 HydrophobicContact CG-CG2 4.41Å; L306-A381 CarbonylContact O-C 3.59Å; L306-A382 PolarHBondContact O-N 3.15Å; L306-L383 HydrophobicContact CB-CB 3.95Å; L306-L383 PolarHBondContact N-O 2.89Å; L306-L383 PolarHBondContact O-N 2.65Å; L306-V393 HydrophobicContact CD1-CG2 4.44Å; L306-A404 HydrophobicContact CD2-CB 4.44Å; L306-L406 HydrophobicContact CD2-CD2 4.5Å; L306-V418 HydrophobicContact CD2-CG2 4.35Å |
| 307 | C | 94.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 149 | 167.2 | -90 | 0 | 0 | 0 | 0 | 110.9 | C248 V287 F289 Y309 Q379 | C248-C307 VanDerWaalsContact CA-SG 3.51Å; C248-C307 HydrophobicContact CB-CB 3.87Å; C248-C307 WeakPolarHBondContact CB-SG 3.08Å; C248-C307 WeakPolarHBondContact SG-CB 3.4Å; C248-C307 CovalentContact SG-SG 2.03Å; C248-C307 PolarHBondContact SG-SG 3.1Å; V287-C307 PolarHBondContact N-O 2.89Å; V287-C307 PolarHBondContact O-N 3.45Å; F289-C307 HydrophobicContact CD2-CB 4.27Å; F289-C307 HydrophobicContact CE2-CB 3.94Å; C307-Y309 HydrophobicContact CB-CD2 4.45Å; C307-Y309 HydrophobicContact CB-CE2 3.57Å; C307-Q379 HydrophobicContact CB-CB 4.47Å; C307-Q379 HydrophobicContact CB-CG 4.33Å; C307-Q379 PolarHBondContact SG-O 3.47Å |
| 308 | V | 95.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 120 | -173.6 | -172.7 | 0 | 0 | 0 | 0 | 109.2 | L272 F276 V284 Y286 L306 Q379 A382 V418 | L272-V308 HydrophobicContact CD2-CG1 4.4Å; F276-V308 HydrophobicContact CE2-CB 4.44Å; F276-V308 HydrophobicContact CE2-CG1 3.74Å; F276-V308 HydrophobicContact CZ-CB 4.21Å; F276-V308 HydrophobicContact CZ-CG1 3.91Å; F276-V308 VanDerWaalsContact CZ-O 3.3Å; F276-V308 WeakPolarHBondContact CZ-O 3.26Å; V284-V308 HydrophobicContact CG1-CG1 3.34Å; Y286-V308 HydrophobicContact CD1-CB 4.43Å; Y286-V308 HydrophobicContact CD1-CG1 3.82Å; Y286-V308 HydrophobicContact CD1-CG2 3.9Å; Y286-V308 HydrophobicContact CE1-CG1 3.64Å; Y286-V308 HydrophobicContact CE1-CG2 4.25Å; L306-V308 HydrophobicContact CG-CG2 4.41Å; V308-Q379 WeakPolarHBondContact O-CG 3Å; V308-Q379 PolarHBondContact O-NE2 3.16Å; V308-A382 HydrophobicContact CG2-CB 4.03Å; V308-V418 HydrophobicContact CG2-CG1 4.24Å |
| 309 | Y | 94.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 129.5 | -175.2 | -57 | -94.9 | 0 | 0 | 0 | 110.6 | L246 E247 L285 V287 F289 C307 I377 Q379 | L246-Y309 HydrophobicContact CD2-CE1 4.32Å; E247-Y309 PolarHBondContact O-OH 2.9Å; L285-Y309 PolarHBondContact N-O 3.38Å; L285-Y309 PolarHBondContact O-N 3.05Å; V287-Y309 HydrophobicContact CB-CE2 4.27Å; V287-Y309 HydrophobicContact CG2-CD2 4.08Å; V287-Y309 HydrophobicContact CG2-CE2 4.13Å; F289-Y309 AromaticContact CE2-CE2 3.99Å; F289-Y309 HydrophobicContact CE2-CE2 3.99Å; F289-Y309 HydrophobicContact CZ-CE2 4.26Å; C307-Y309 HydrophobicContact CB-CD2 4.45Å; C307-Y309 HydrophobicContact CB-CE2 3.57Å; Y309-I377 HydrophobicContact CD1-CD1 4.01Å; Y309-I377 HydrophobicContact CD1-CG1 4Å; Y309-I377 HydrophobicContact CD1-CG2 4.3Å; Y309-I377 HydrophobicContact CE1-CG1 4.25Å; Y309-I377 HydrophobicContact CE1-CG2 4.23Å; Y309-Q379 HydrophobicContact CD1-CB 3.9Å; Y309-Q379 HydrophobicContact CD1-CG 4.48Å; Y309-Q379 HydrophobicContact CE1-CB 3.36Å; Y309-Q379 HydrophobicContact CE1-CG 4.29Å |
| 310 | S | 94.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.007 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 136 | 170 | 98.2 | 0 | 0 | 0 | 0 | 110.2 | P312 S313 I314 | S310-P312 VanDerWaalsContact C-N 3.33Å; S310-S313 PolarHBondContact O-N 3.39Å; S310-S313 WeakPolarHBondContact OG-CB 3.36Å; S310-S313 PolarHBondContact OG-N 3.11Å; S310-S313 PolarHBondContact OG-OG 2.9Å; S310-I314 PolarHBondContact O-N 3.33Å |
| 311 | L | 93.6 | Very high | 90.9 | Very high | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -33.3 | 174.1 | -91.8 | -62.8 | 0 | 0 | 0 | 113.5 | F202 Y209 L265 D283 L285 I314 N315 | F202-L311 HydrophobicContact CE2-CD1 3.97Å; F202-L311 HydrophobicContact CE2-CG 4.47Å; F202-L311 HydrophobicContact CZ-CD1 4.25Å; Y209-L311 HydrophobicContact CE1-CD1 4.09Å; Y209-L311 HydrophobicContact CE2-CD1 4.34Å; L265-L311 HydrophobicContact CD1-CD2 3.54Å; L265-L311 HydrophobicContact CD1-CG 4.23Å; D283-L311 HydrophobicContact CB-CB 4.1Å; D283-L311 HydrophobicContact CB-CD2 4.08Å; D283-L311 HydrophobicContact CB-CG 4.01Å; D283-L311 WeakPolarHBondContact O-CB 3.21Å; D283-L311 PolarHBondContact O-N 2.79Å; L285-L311 HydrophobicContact CB-CD2 3.69Å; L311-I314 HydrophobicContact CD1-CB 4.45Å; L311-I314 HydrophobicContact CD1-CD1 4.15Å; L311-I314 HydrophobicContact CD1-CG2 4.5Å; L311-I314 HydrophobicContact CD2-CD1 4.41Å; L311-I314 PolarHBondContact O-N 3.45Å; L311-N315 WeakPolarHBondContact O-CB 3.22Å; L311-N315 PolarHBondContact O-N 3.32Å; L311-N315 PolarHBondContact O-ND2 3.11Å |
| 312 | P | 92 | Very high | 90.8 | Very high | 55 Ų | 55 | 35.1 Ų | 35.1 | 36% | 0.357 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.3 | -45 | 168.6 | -29.3 | 37.4 | 0 | 0 | 0 | 113.1 | I278 D282 S310 N315 Q316 | I278-P312 HydrophobicContact CG2-CG 4.16Å; D282-P312 HydrophobicContact CB-CG 4.35Å; S310-P312 VanDerWaalsContact C-N 3.33Å; P312-N315 PolarHBondContact O-N 3.13Å; P312-Q316 WeakPolarHBondContact O-CB 3.23Å; P312-Q316 PolarHBondContact O-N 2.91Å |
| 313 | S | 92.1 | Very high | 90.7 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 35% | 0.35 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.7 | -56 | 0 | 0 | 0 | 0 | 112.5 | S310 N315 Q316 R317 | S310-S313 PolarHBondContact O-N 3.39Å; S310-S313 WeakPolarHBondContact OG-CB 3.36Å; S310-S313 PolarHBondContact OG-N 3.11Å; S310-S313 PolarHBondContact OG-OG 2.9Å; S313-N315 VanDerWaalsContact C-N 3.35Å; S313-N315 PolarHBondContact O-N 2.76Å; S313-Q316 PolarHBondContact O-N 3.22Å; S313-R317 PolarHBondContact O-N 3.39Å |
| 314 | I | 92.2 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.9 | -49 | 173.7 | -72.1 | 168.4 | 0 | 0 | 0 | 110.1 | L244 L285 S310 L311 R317 F318 I377 | L244-I314 HydrophobicContact CD2-CG2 4.41Å; L285-I314 HydrophobicContact CB-CD1 4.3Å; L285-I314 HydrophobicContact CD2-CD1 3.86Å; S310-I314 PolarHBondContact O-N 3.33Å; L311-I314 HydrophobicContact CD1-CB 4.45Å; L311-I314 HydrophobicContact CD1-CD1 4.15Å; L311-I314 HydrophobicContact CD1-CG2 4.5Å; L311-I314 HydrophobicContact CD2-CD1 4.41Å; L311-I314 PolarHBondContact O-N 3.45Å; I314-R317 PolarHBondContact O-N 2.87Å; I314-F318 HydrophobicContact CG2-CD2 3.83Å; I314-F318 HydrophobicContact CG2-CE2 3.66Å; I314-F318 VanDerWaalsContact O-CD2 3.3Å; I314-F318 WeakPolarHBondContact O-CD2 3.48Å; I314-F318 PolarHBondContact O-N 2.81Å; I314-I377 HydrophobicContact CB-CD1 4.5Å; I314-I377 HydrophobicContact CG1-CD1 3.79Å |
| 315 | N | 90.3 | Very high | 90 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 14% | 0.144 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 179.5 | -84 | -63.7 | 0 | 0 | 0 | 112.1 | Y209 R230 L311 P312 S313 R317 F318 L319 | Y209-N315 PolarHBondContact OH-ND2 3.08Å; Y209-N315 PolarHBondContact OH-OD1 3.33Å; R230-N315 PolarHBondContact NH1-OD1 2.74Å; L311-N315 WeakPolarHBondContact O-CB 3.22Å; L311-N315 PolarHBondContact O-N 3.32Å; L311-N315 PolarHBondContact O-ND2 3.11Å; P312-N315 PolarHBondContact O-N 3.13Å; S313-N315 VanDerWaalsContact C-N 3.35Å; S313-N315 PolarHBondContact O-N 2.76Å; N315-R317 VanDerWaalsContact C-N 3.31Å; N315-R317 PolarHBondContact O-N 3.25Å; N315-F318 WeakPolarHBondContact O-CB 3.23Å; N315-F318 PolarHBondContact O-N 3.4Å; N315-L319 VanDerWaalsContact O-CG 3.3Å; N315-L319 WeakPolarHBondContact O-CG 3.35Å; N315-L319 PolarHBondContact O-N 3.28Å |
| 316 | Q | 89.9 | Confident | 89.3 | Confident | 114 Ų | 114 | 31.1 Ų | 31.1 | 53% | 0.533 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -56 | -45.3 | 175.1 | -178.5 | 179 | -25.2 | 0 | 0 | 111.6 | P312 S313 F318 L319 E320 | P312-Q316 WeakPolarHBondContact O-CB 3.23Å; P312-Q316 PolarHBondContact O-N 2.91Å; S313-Q316 PolarHBondContact O-N 3.22Å; Q316-F318 PolarHBondContact O-N 2.91Å; Q316-L319 WeakPolarHBondContact O-CA 3.33Å; Q316-L319 WeakPolarHBondContact O-CB 3.26Å; Q316-L319 PolarHBondContact O-N 2.87Å; Q316-E320 HydrophobicContact CG-CG 4.43Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.15Å; Q316-E320 PolarHBondContact NE2-OE1 3.08Å; Q316-E320 WeakPolarHBondContact O-CG 3.36Å; Q316-E320 PolarHBondContact O-N 3.4Å |
| 317 | R | 91.9 | Very high | 88.6 | Confident | 76 Ų | 76 | 35.2 Ų | 35.2 | 29% | 0.287 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.7 | -38.4 | 177.4 | -179.8 | 49.7 | 48.3 | 114.7 | -1.1 | 112.8 | L244 S313 I314 N315 L319 E320 N321 T375 P376 I377 | L244-R317 HydrophobicContact CD1-CG 3.67Å; L244-R317 HydrophobicContact CD2-CB 4.11Å; L244-R317 HydrophobicContact CD2-CG 3.84Å; L244-R317 HydrophobicContact CG-CG 4.41Å; S313-R317 PolarHBondContact O-N 3.39Å; I314-R317 PolarHBondContact O-N 2.87Å; N315-R317 VanDerWaalsContact C-N 3.31Å; N315-R317 PolarHBondContact O-N 3.25Å; R317-L319 VanDerWaalsContact C-N 3.31Å; R317-L319 PolarHBondContact O-N 3.27Å; R317-E320 IonicContact CZ-OE2 3.69Å; R317-E320 IonicContact NE-OE2 2.74Å; R317-E320 PolarHBondContact NE-OE2 3.42Å; R317-E320 IonicContact NH2-OE2 2.69Å; R317-E320 PolarHBondContact NH2-OE2 2.81Å; R317-E320 VanDerWaalsContact NH2-OE2 3.08Å; R317-E320 PolarHBondContact O-N 3.04Å; R317-N321 WeakPolarHBondContact O-CB 3.28Å; R317-N321 PolarHBondContact O-N 3.43Å; R317-T375 WeakPolarHBondContact CD-OG1 3.45Å; R317-T375 PolarHBondContact NH1-OG1 2.63Å; R317-P376 PolarHBondContact NH1-O 2.76Å; R317-I377 HydrophobicContact CG-CB 4.24Å |
| 318 | F | 89 | Confident | 87.9 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -40.1 | 168.7 | -83.1 | -70.5 | 0 | 0 | 0 | 112.2 | V228 R230 L244 I314 N315 Q316 I322 | V228-F318 HydrophobicContact CB-CZ 4.46Å; V228-F318 HydrophobicContact CG1-CE2 4.09Å; V228-F318 HydrophobicContact CG1-CZ 4.12Å; R230-F318 HydrophobicContact CB-CE1 4.15Å; R230-F318 HydrophobicContact CB-CE2 3.85Å; R230-F318 HydrophobicContact CB-CZ 3.63Å; R230-F318 VanDerWaalsContact CZ-CB 3.49Å; L244-F318 HydrophobicContact CB-CD1 4.1Å; L244-F318 HydrophobicContact CB-CE1 3.5Å; L244-F318 HydrophobicContact CB-CE2 4.05Å; L244-F318 HydrophobicContact CB-CZ 3.48Å; L244-F318 VanDerWaalsContact CB-CZ 3.48Å; L244-F318 HydrophobicContact CD2-CD2 3.99Å; L244-F318 HydrophobicContact CD2-CE2 3.95Å; L244-F318 HydrophobicContact CD2-CG 4.31Å; L244-F318 HydrophobicContact CD2-CZ 4.25Å; I314-F318 HydrophobicContact CG2-CD2 3.83Å; I314-F318 HydrophobicContact CG2-CE2 3.66Å; I314-F318 VanDerWaalsContact O-CD2 3.3Å; I314-F318 WeakPolarHBondContact O-CD2 3.48Å; I314-F318 PolarHBondContact O-N 2.81Å; N315-F318 WeakPolarHBondContact O-CB 3.23Å; N315-F318 PolarHBondContact O-N 3.4Å; Q316-F318 PolarHBondContact O-N 2.91Å; F318-I322 WeakPolarHBondContact O-CB 3.42Å; F318-I322 WeakPolarHBondContact O-CD1 3.45Å; F318-I322 WeakPolarHBondContact O-CG1 3.49Å; F318-I322 PolarHBondContact O-N 2.88Å |
| 319 | L | 86.2 | Confident | 87.3 | Confident | 58 Ų | 58 | 42.7 Ų | 42.7 | 30% | 0.304 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.1 | -42.3 | 178.6 | -56.7 | -161.7 | 0 | 0 | 0 | 112.2 | N315 Q316 R317 I322 K323 I361 | N315-L319 VanDerWaalsContact O-CG 3.3Å; N315-L319 WeakPolarHBondContact O-CG 3.35Å; N315-L319 PolarHBondContact O-N 3.28Å; Q316-L319 WeakPolarHBondContact O-CA 3.33Å; Q316-L319 WeakPolarHBondContact O-CB 3.26Å; Q316-L319 PolarHBondContact O-N 2.87Å; R317-L319 VanDerWaalsContact C-N 3.31Å; R317-L319 PolarHBondContact O-N 3.27Å; L319-I322 PolarHBondContact O-N 2.87Å; L319-K323 WeakPolarHBondContact O-CB 3.16Å; L319-K323 PolarHBondContact O-N 3.5Å; L319-I361 HydrophobicContact CD1-CD1 3.91Å; L319-I361 HydrophobicContact CD2-CB 4.41Å; L319-I361 HydrophobicContact CD2-CD1 3.36Å; L319-I361 HydrophobicContact CD2-CG1 3.65Å; L319-I361 HydrophobicContact CD2-CG2 3.82Å; L319-I361 HydrophobicContact CG-CD1 4.22Å |
| 320 | E | 87.4 | Confident | 86.4 | Confident | 68 Ų | 68 | 44.5 Ų | 44.5 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -58.8 | -51.3 | 176.2 | -72 | 166.2 | 178.4 | 0 | 0 | 110.6 | Q316 R317 I322 K323 V324 | Q316-E320 HydrophobicContact CG-CG 4.43Å; Q316-E320 WeakPolarHBondContact CG-OE1 3.15Å; Q316-E320 PolarHBondContact NE2-OE1 3.08Å; Q316-E320 WeakPolarHBondContact O-CG 3.36Å; Q316-E320 PolarHBondContact O-N 3.4Å; R317-E320 IonicContact CZ-OE2 3.69Å; R317-E320 IonicContact NE-OE2 2.74Å; R317-E320 PolarHBondContact NE-OE2 3.42Å; R317-E320 IonicContact NH2-OE2 2.69Å; R317-E320 PolarHBondContact NH2-OE2 2.81Å; R317-E320 VanDerWaalsContact NH2-OE2 3.08Å; R317-E320 PolarHBondContact O-N 3.04Å; E320-I322 PolarHBondContact O-N 2.88Å; E320-K323 WeakPolarHBondContact O-CB 3.45Å; E320-K323 PolarHBondContact O-N 2.97Å; E320-V324 WeakPolarHBondContact O-CG2 3.34Å; E320-V324 PolarHBondContact O-N 3.15Å; E320-V324 VanDerWaalsContact O-N 3.07Å |
| 321 | N | 87 | Confident | 85.5 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 177.9 | -77.3 | -19.1 | 0 | 0 | 0 | 112.2 | L244 R317 K323 V324 C325 F371 G373 T375 | L244-N321 WeakPolarHBondContact CD1-ND2 3.48Å; R317-N321 WeakPolarHBondContact O-CB 3.28Å; R317-N321 PolarHBondContact O-N 3.43Å; N321-K323 VanDerWaalsContact C-N 3.31Å; N321-K323 PolarHBondContact O-N 3.03Å; N321-V324 PolarHBondContact O-N 3.05Å; N321-C325 PolarHBondContact O-N 3.38Å; N321-F371 HydrophobicContact CB-CE1 3.63Å; N321-F371 HydrophobicContact CB-CZ 3.6Å; N321-F371 VanDerWaalsContact O-CZ 3.25Å; N321-F371 WeakPolarHBondContact O-CZ 3.28Å; N321-G373 WeakPolarHBondContact ND2-CA 2.76Å; N321-T375 PolarHBondContact ND2-O 2.65Å; N321-T375 PolarHBondContact OD1-OG1 2.69Å |
| 322 | I | 82.7 | Confident | 84.5 | Confident | 24 Ų | 24 | 52.3 Ų | 52.3 | 12% | 0.123 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.7 | -36.3 | 176.3 | -72.1 | 166.4 | 0 | 0 | 0 | 111.6 | F318 L319 E320 N326 F371 | F318-I322 WeakPolarHBondContact O-CB 3.42Å; F318-I322 WeakPolarHBondContact O-CD1 3.45Å; F318-I322 WeakPolarHBondContact O-CG1 3.49Å; F318-I322 PolarHBondContact O-N 2.88Å; L319-I322 PolarHBondContact O-N 2.87Å; E320-I322 PolarHBondContact O-N 2.88Å; I322-N326 WeakPolarHBondContact CG2-ND2 3.34Å; I322-N326 PolarHBondContact O-N 3.1Å; I322-N326 VanDerWaalsContact O-N 3.16Å; I322-N326 PolarHBondContact O-ND2 3.32Å; I322-F371 HydrophobicContact CG1-CD1 4.1Å; I322-F371 HydrophobicContact CG1-CD2 4.18Å; I322-F371 HydrophobicContact CG1-CE1 4.16Å; I322-F371 HydrophobicContact CG1-CE2 4.25Å; I322-F371 HydrophobicContact CG1-CG 4.13Å; I322-F371 HydrophobicContact CG1-CZ 4.28Å |
| 323 | K | 81 | Confident | 83.1 | Confident | 102 Ų | 102 | 50.1 Ų | 50.1 | 44% | 0.443 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -63.1 | -51.7 | 176 | -178.1 | 176.9 | 178.1 | -74.1 | 0 | 110.9 | L319 E320 N321 C325 N326 E327 | L319-K323 WeakPolarHBondContact O-CB 3.16Å; L319-K323 PolarHBondContact O-N 3.5Å; E320-K323 WeakPolarHBondContact O-CB 3.45Å; E320-K323 PolarHBondContact O-N 2.97Å; N321-K323 VanDerWaalsContact C-N 3.31Å; N321-K323 PolarHBondContact O-N 3.03Å; K323-C325 VanDerWaalsContact C-N 3.32Å; K323-C325 PolarHBondContact O-N 3.44Å; K323-N326 CarbonylContact O-C 3.51Å; K323-N326 WeakPolarHBondContact O-CA 3.32Å; K323-N326 PolarHBondContact O-N 2.92Å; K323-E327 WeakPolarHBondContact CE-OE1 3.43Å; K323-E327 IonicContact NZ-OE1 3.97Å; K323-E327 PolarHBondContact NZ-OE1 3.44Å; K323-E327 IonicContact NZ-OE2 3.16Å; K323-E327 WeakPolarHBondContact O-CG 3.38Å; K323-E327 PolarHBondContact O-N 3.13Å |
| 324 | V | 83.7 | Confident | 82.2 | Confident | 47 Ų | 47 | 47.8 Ų | 47.8 | 29% | 0.285 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -55.4 | -43.7 | 179.9 | 171.2 | 0 | 0 | 0 | 0 | 112 | E320 N321 N326 E327 G328 E329 | E320-V324 WeakPolarHBondContact O-CG2 3.34Å; E320-V324 PolarHBondContact O-N 3.15Å; E320-V324 VanDerWaalsContact O-N 3.07Å; N321-V324 PolarHBondContact O-N 3.05Å; V324-N326 PolarHBondContact O-N 3.36Å; V324-E327 WeakPolarHBondContact O-CB 3.4Å; V324-E327 PolarHBondContact O-N 2.86Å; V324-E327 VanDerWaalsContact O-N 3.14Å; V324-G328 PolarHBondContact O-N 3.4Å; V324-E329 HydrophobicContact CG1-CB 3.71Å; V324-E329 PolarHBondContact O-N 2.97Å; V324-E329 VanDerWaalsContact O-N 3.13Å |
| 325 | C | 82.4 | Confident | 80.9 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68.9 | -33.4 | 176.1 | -176.5 | 0 | 0 | 0 | 0 | 113.7 | N321 K323 E327 G328 E329 C343 N368 F371 | N321-C325 PolarHBondContact O-N 3.38Å; K323-C325 VanDerWaalsContact C-N 3.32Å; K323-C325 PolarHBondContact O-N 3.44Å; C325-E327 PolarHBondContact O-N 2.81Å; C325-G328 WeakPolarHBondContact O-CA 3.24Å; C325-G328 PolarHBondContact O-N 3.33Å; C325-E329 WeakPolarHBondContact CA-O 3.26Å; C325-C343 VanDerWaalsContact CA-SG 3.58Å; C325-C343 HydrophobicContact CB-CB 3.89Å; C325-C343 WeakPolarHBondContact CB-SG 3.19Å; C325-C343 WeakPolarHBondContact O-CB 3.28Å; C325-C343 WeakPolarHBondContact SG-CB 3.45Å; C325-C343 CovalentContact SG-SG 2.03Å; C325-C343 PolarHBondContact SG-SG 3.28Å; C325-N368 PolarHBondContact O-ND2 2.85Å; C325-F371 HydrophobicContact CB-CD2 4.34Å; C325-F371 HydrophobicContact CB-CE2 3.51Å; C325-F371 HydrophobicContact CB-CZ 4.41Å |
| 326 | N | 79.2 | Confident | 80 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.091 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -74.6 | -13.9 | 173 | -72.1 | -45.3 | 0 | 0 | 0 | 113.4 | I322 K323 V324 G328 A345 T346 L347 N368 | I322-N326 WeakPolarHBondContact CG2-ND2 3.34Å; I322-N326 PolarHBondContact O-N 3.1Å; I322-N326 VanDerWaalsContact O-N 3.16Å; I322-N326 PolarHBondContact O-ND2 3.32Å; K323-N326 CarbonylContact O-C 3.51Å; K323-N326 WeakPolarHBondContact O-CA 3.32Å; K323-N326 PolarHBondContact O-N 2.92Å; V324-N326 PolarHBondContact O-N 3.36Å; N326-G328 VanDerWaalsContact C-N 3.27Å; N326-A345 WeakPolarHBondContact O-CA 3.07Å; N326-T346 WeakPolarHBondContact CB-OG1 3.46Å; N326-T346 PolarHBondContact O-N 3.39Å; N326-T346 PolarHBondContact OD1-OG1 3.22Å; N326-L347 HydrophobicContact CB-CD1 3.96Å; N326-L347 HydrophobicContact CB-CG 4.06Å; N326-L347 PolarHBondContact O-N 2.98Å; N326-N368 PolarHBondContact OD1-ND2 3.46Å |
| 327 | E | 81.8 | Confident | 79.2 | Confident | 85 Ų | 85 | 44.7 Ų | 44.7 | 40% | 0.397 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -11.6 | 165.4 | -64.6 | 169.9 | 163.7 | 0 | 0 | 111.5 | K323 V324 C325 L347 | K323-E327 WeakPolarHBondContact CE-OE1 3.43Å; K323-E327 IonicContact NZ-OE1 3.97Å; K323-E327 PolarHBondContact NZ-OE1 3.44Å; K323-E327 IonicContact NZ-OE2 3.16Å; K323-E327 WeakPolarHBondContact O-CG 3.38Å; K323-E327 PolarHBondContact O-N 3.13Å; V324-E327 WeakPolarHBondContact O-CB 3.4Å; V324-E327 PolarHBondContact O-N 2.86Å; V324-E327 VanDerWaalsContact O-N 3.14Å; C325-E327 PolarHBondContact O-N 2.81Å; E327-L347 HydrophobicContact CB-CD1 4.45Å; E327-L347 HydrophobicContact CG-CD1 3.42Å; E327-L347 VanDerWaalsContact CG-CD1 3.42Å |
| 328 | G | 79.6 | Confident | 78.3 | Confident | 28 Ų | 28 | 45.4 Ų | 45.4 | 29% | 0.289 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 100.5 | 6.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | V324 C325 N326 | V324-G328 PolarHBondContact O-N 3.4Å; C325-G328 WeakPolarHBondContact O-CA 3.24Å; C325-G328 PolarHBondContact O-N 3.33Å; N326-G328 VanDerWaalsContact C-N 3.27Å |
| 329 | E | 81.9 | Confident | 77.5 | Confident | 129 Ų | 129 | 49 Ų | 49 | 60% | 0.603 | 27% | 0.27 | S | S | * | . | trans | -97.5 | 141.6 | -175.9 | -62.9 | -170 | 176.5 | 0 | 0 | 112.6 | V324 C325 C343 | V324-E329 HydrophobicContact CG1-CB 3.71Å; V324-E329 PolarHBondContact O-N 2.97Å; V324-E329 VanDerWaalsContact O-N 3.13Å; C325-E329 WeakPolarHBondContact CA-O 3.26Å; E329-C343 PolarHBondContact O-SG 3.4Å | ||
| 330 | G | 76.3 | Confident | 76.7 | Confident | 41 Ų | 41 | 48.3 Ų | 48.3 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 85.1 | -166 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | C343 | G330-C343 PolarHBondContact O-N 2.94Š|
| 331 | E | 74.5 | Confident | 76.4 | Confident | 122 Ų | 122 | 51.3 Ų | 51.3 | 57% | 0.57 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 147.8 | -177.6 | -60.3 | -164.2 | 158.7 | 0 | 0 | 111.8 | K341 | E331-K341 CarbonylContact C-O 3.6Å; E331-K341 VanDerWaalsContact CA-O 3.29Å; E331-K341 WeakPolarHBondContact CA-O 3.09Å |
| 332 | R | 74.1 | Confident | 76.2 | Confident | 47 Ų | 47 | 60.8 Ų | 60.8 | 18% | 0.177 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 155.8 | 172.1 | 60.7 | 178.3 | 179.4 | 176 | 13.5 | 108.7 | G340 K341 R342 N368 | R332-G340 CarbonylContact O-C 3.55Å; R332-G340 WeakPolarHBondContact O-CA 3.39Å; R332-K341 HydrophobicContact CG-CB 4.15Å; R332-K341 VanDerWaalsContact CG-O 3.29Å; R332-K341 WeakPolarHBondContact CG-O 2.96Å; R332-K341 PolarHBondContact N-O 2.92Å; R332-K341 PolarHBondContact O-N 3.09Å; R332-K341 VanDerWaalsContact O-O 3.13Å; R332-R342 PolarHBondContact NE-O 3.09Å; R332-R342 VanDerWaalsContact NE-O 3.09Å; R332-N368 WeakPolarHBondContact CD-OD1 3.29Å; R332-N368 PolarHBondContact NH1-OD1 3.26Å |
| 333 | G | 62.2 | Low | 76.3 | Confident | 10 Ų | 10 | 60 Ų | 60 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 92.5 | 137.4 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | K338 P370 | G333-K338 CarbonylContact C-O 3.53Å; G333-P370 PolarHBondContact N-O 2.74Å |
| 334 | L | 72.9 | Confident | 76.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | trans | -109.9 | 119.2 | -176.3 | -66.4 | 166 | 0 | 0 | 0 | 106.8 | Y241 E243 H336 F337 K338 P370 D372 | Y241-L334 HydrophobicContact CD1-CD1 3.8Å; Y241-L334 HydrophobicContact CE1-CD1 3.47Å; Y241-L334 VanDerWaalsContact CE1-CD1 3.47Å; E243-L334 HydrophobicContact CB-CD2 4.15Å; E243-L334 HydrophobicContact CG-CD1 3.74Å; E243-L334 HydrophobicContact CG-CD2 3.85Å; E243-L334 HydrophobicContact CG-CG 4.47Å; E243-L334 WeakPolarHBondContact OE2-CD2 3.48Å; L334-H336 PolarHBondContact O-N 3.39Å; L334-F337 HydrophobicContact CB-CB 4.47Å; L334-F337 HydrophobicContact CB-CD2 4.13Å; L334-F337 HydrophobicContact CD1-CD2 3.9Å; L334-F337 HydrophobicContact CD1-CE2 4.47Å; L334-F337 PolarHBondContact O-N 2.93Å; L334-K338 CarbonylContact C-O 3.6Å; L334-K338 VanDerWaalsContact C-O 3.22Å; L334-K338 PolarHBondContact N-O 3.06Å; L334-K338 VanDerWaalsContact N-O 3.1Å; L334-K338 CarbonylContact O-C 3.57Å; L334-K338 PolarHBondContact O-N 3.35Å; L334-P370 HydrophobicContact CB-CG 4.46Å; L334-P370 HydrophobicContact CD1-CB 3.77Å; L334-P370 HydrophobicContact CD1-CG 3.98Å; L334-P370 HydrophobicContact CG-CB 4.29Å; L334-P370 HydrophobicContact CG-CG 4.12Å; L334-D372 HydrophobicContact CD2-CB 3.59Å; L334-D372 WeakPolarHBondContact CD2-OD1 2.98Å | ||
| 335 | G | 64.4 | Low | 76.1 | Confident | 46 Ų | 46 | 59.6 Ų | 59.6 | 47% | 0.474 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -13.6 | -167.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | S218 | S218-G335 PolarHBondContact OG-O 3.45Š|
| 336 | H | 71.1 | Confident | 75.4 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 11% | 0.106 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -15 | 174.1 | 47.5 | -77 | 0 | 0 | 0 | 115.6 | P194 I196 E243 L334 | P194-H336 HydrophobicContact CG-CB 3.41Å; P194-H336 VanDerWaalsContact CG-CB 3.41Å; I196-H336 HydrophobicContact CD1-CB 4.16Å; I196-H336 WeakPolarHBondContact CD1-CD2 3.22Å; E243-H336 IonicContact OE1-CE1 2.74Å; E243-H336 IonicContact OE1-NE2 2.8Å; E243-H336 PolarHBondContact OE1-NE2 3.5Å; E243-H336 IonicContact OE2-CE1 2.72Å; E243-H336 PolarHBondContact OE2-CE1 2.95Å; E243-H336 IonicContact OE2-NE2 3.36Å; E243-H336 PolarHBondContact OE2-NE2 3.13Å; L334-H336 PolarHBondContact O-N 3.39Å |
| 337 | F | 73.9 | Confident | 74.3 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.035 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | -39.1 | -177.2 | -60.5 | -45.6 | 0 | 0 | 0 | 114.4 | A162 V187 H188 F189 Q190 Y241 L334 | A162-F337 HydrophobicContact CB-CE1 3.6Å; A162-F337 HydrophobicContact CB-CZ 3.86Å; V187-F337 HydrophobicContact CB-CE1 4.48Å; V187-F337 HydrophobicContact CB-CE2 4.48Å; V187-F337 HydrophobicContact CB-CZ 4.43Å; V187-F337 HydrophobicContact CG1-CB 3.8Å; V187-F337 HydrophobicContact CG1-CD1 3.65Å; V187-F337 HydrophobicContact CG1-CD2 3.6Å; V187-F337 HydrophobicContact CG1-CE1 4Å; V187-F337 HydrophobicContact CG1-CE2 3.96Å; V187-F337 HydrophobicContact CG1-CG 3.42Å; V187-F337 VanDerWaalsContact CG1-CG 3.42Å; V187-F337 HydrophobicContact CG1-CZ 4.14Å; H188-F337 VanDerWaalsContact O-CD1 3.27Å; H188-F337 WeakPolarHBondContact O-CD1 3.42Å; F189-F337 AromaticContact CD1-CD1 3.93Å; F189-F337 HydrophobicContact CD1-CD1 3.93Å; F189-F337 AromaticContact CD1-CE1 3.58Å; F189-F337 HydrophobicContact CD1-CE1 3.58Å; F189-F337 HydrophobicContact CE1-CD1 4.36Å; F189-F337 AromaticContact CE1-CE1 3.61Å; F189-F337 HydrophobicContact CE1-CE1 3.61Å; F189-F337 HydrophobicContact CE1-CZ 4.25Å; F189-F337 HydrophobicContact CG-CE1 4.22Å; F189-F337 HydrophobicContact CZ-CE1 4.28Å; Q190-F337 PolarHBondContact OE1-O 3.13Å; Y241-F337 HydrophobicContact CE1-CD2 4.36Å; Y241-F337 HydrophobicContact CE1-CE2 4.01Å; Y241-F337 AromaticContact CZ-CE2 3.79Å; Y241-F337 WeakPolarHBondContact OH-CE2 2.98Å; L334-F337 HydrophobicContact CB-CB 4.47Å; L334-F337 HydrophobicContact CB-CD2 4.13Å; L334-F337 HydrophobicContact CD1-CD2 3.9Å; L334-F337 HydrophobicContact CD1-CE2 4.47Å; L334-F337 PolarHBondContact O-N 2.93Å |
| 338 | K | 73.2 | Confident | 72.9 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 40% | 0.4 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -149.2 | 136.4 | 174.8 | -63.9 | -166.9 | -169 | 172.4 | 0 | 109.9 | G333 L334 P370 | G333-K338 CarbonylContact C-O 3.53Å; L334-K338 CarbonylContact C-O 3.6Å; L334-K338 VanDerWaalsContact C-O 3.22Å; L334-K338 PolarHBondContact N-O 3.06Å; L334-K338 VanDerWaalsContact N-O 3.1Å; L334-K338 CarbonylContact O-C 3.57Å; L334-K338 PolarHBondContact O-N 3.35Å; K338-P370 HydrophobicContact CD-CG 4.47Å |
| 339 | P | 70.9 | Confident | 71.2 | Confident | 74 Ų | 74 | 66.9 Ų | 66.9 | 48% | 0.481 | 38% | 0.381 | S | S | . | . | trans | -58.3 | 141.2 | 179.2 | 25.4 | -36 | 0 | 0 | 0 | 111.7 | Q190 | Q190-P339 VanDerWaalsContact OE1-CD 3.23Š| ||
| 340 | G | 70.6 | Confident | 69.6 | Low | 44 Ų | 44 | 68.7 Ų | 68.7 | 45% | 0.454 | 39% | 0.388 | S | S | . | . | trans | -55.5 | 137.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R332 | R332-G340 CarbonylContact O-C 3.55Å; R332-G340 WeakPolarHBondContact O-CA 3.39Å | ||
| 341 | K | 80.3 | Confident | 68.1 | Low | 132 Ų | 132 | 70.1 Ų | 70.1 | 57% | 0.574 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 155.6 | 172.8 | -65.7 | -176.2 | -179.8 | -178.2 | 0 | 107.8 | E331 R332 | E331-K341 CarbonylContact C-O 3.6Å; E331-K341 VanDerWaalsContact CA-O 3.29Å; E331-K341 WeakPolarHBondContact CA-O 3.09Å; R332-K341 HydrophobicContact CG-CB 4.15Å; R332-K341 VanDerWaalsContact CG-O 3.29Å; R332-K341 WeakPolarHBondContact CG-O 2.96Å; R332-K341 PolarHBondContact N-O 2.92Å; R332-K341 PolarHBondContact O-N 3.09Å; R332-K341 VanDerWaalsContact O-O 3.13Å |
| 342 | R | 83.4 | Confident | 66.6 | Low | 202 Ų | 202 | 68.6 Ų | 68.6 | 76% | 0.762 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 144.4 | 171.2 | -70 | -172.7 | -178.8 | -179.6 | 0.4 | 111.5 | R332 | R332-R342 PolarHBondContact NE-O 3.09Å; R332-R342 VanDerWaalsContact NE-O 3.09Å |
| 343 | C | 83.8 | Confident | 65.4 | Low | 8 Ų | 8 | 75.8 Ų | 75.8 | 5% | 0.054 | 42% | 0.421 | C | S | . | . | P | Polyproline II helix | trans | -58 | 143.7 | 167.3 | -78.2 | 0 | 0 | 0 | 0 | 111.1 | C325 E329 G330 | C325-C343 VanDerWaalsContact CA-SG 3.58Å; C325-C343 HydrophobicContact CB-CB 3.89Å; C325-C343 WeakPolarHBondContact CB-SG 3.19Å; C325-C343 WeakPolarHBondContact O-CB 3.28Å; C325-C343 WeakPolarHBondContact SG-CB 3.45Å; C325-C343 CovalentContact SG-SG 2.03Å; C325-C343 PolarHBondContact SG-SG 3.28Å; E329-C343 PolarHBondContact O-SG 3.4Å; G330-C343 PolarHBondContact O-N 2.94Å |
| 344 | L | 82.7 | Confident | 64.8 | Low | 87 Ų | 87 | 82.8 Ų | 82.8 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 130.4 | 174.7 | -65.8 | -178.4 | 0 | 0 | 0 | 109.9 | T346 I367 N368 | L344-T346 PolarHBondContact O-N 2.99Å; L344-I367 HydrophobicContact CB-CG2 4.24Å; L344-I367 HydrophobicContact CD1-CG2 4.22Å; L344-N368 PolarHBondContact N-OD1 2.91Å; L344-N368 PolarHBondContact O-ND2 2.98Å |
| 345 | A | 77.9 | Confident | 64 | Low | 54 Ų | 54 | 86.2 Ų | 86.2 | 45% | 0.446 | 47% | 0.474 | S | S | . | . | trans | -66.5 | 110.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110 | N326 | N326-A345 WeakPolarHBondContact O-CA 3.07Š| ||
| 346 | T | 68.2 | Low | 64.1 | Low | 9 Ų | 9 | 87.5 Ų | 87.5 | 6% | 0.055 | 47% | 0.474 | C | S | . | . | trans | -110.1 | -22.2 | -177.6 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | N326 L344 S348 A349 I367 | N326-T346 WeakPolarHBondContact CB-OG1 3.46Å; N326-T346 PolarHBondContact O-N 3.39Å; N326-T346 PolarHBondContact OD1-OG1 3.22Å; L344-T346 PolarHBondContact O-N 2.99Å; T346-S348 PolarHBondContact O-N 3.49Å; T346-A349 PolarHBondContact O-N 3.09Å; T346-I367 HydrophobicContact CG2-CB 4.24Å; T346-I367 HydrophobicContact CG2-CD1 4.09Å; T346-I367 HydrophobicContact CG2-CG2 3.54Å | ||
| 347 | L | 57.3 | Low | 63.8 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 53% | 0.534 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -10.8 | -174.7 | -83.1 | 161.4 | 0 | 0 | 0 | 115.5 | N326 E327 | N326-L347 HydrophobicContact CB-CD1 3.96Å; N326-L347 HydrophobicContact CB-CG 4.06Å; N326-L347 PolarHBondContact O-N 2.98Å; E327-L347 HydrophobicContact CB-CD1 4.45Å; E327-L347 HydrophobicContact CG-CD1 3.42Å; E327-L347 VanDerWaalsContact CG-CD1 3.42Å |
| 348 | S | 51 | Low | 63.6 | Low | 111 Ų | 111 | 96.1 Ų | 96.1 | 78% | 0.776 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -6.7 | -179.9 | 56.6 | 0 | 0 | 0 | 0 | 115.3 | T346 | T346-S348 PolarHBondContact O-N 3.49Š|
| 349 | A | 45.2 | Very low | 63.5 | Low | 63 Ų | 63 | 97.3 Ų | 97.3 | 52% | 0.521 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -131.4 | -28.7 | -161.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | T346 | T346-A349 PolarHBondContact O-N 3.09Š|
| 350 | F | 47 | Very low | 63.4 | Low | 168 Ų | 168 | 94.6 Ų | 94.6 | 74% | 0.737 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -139.1 | 1.2 | -168.1 | -81.7 | -78.8 | 0 | 0 | 0 | 117.2 | ||
| 351 | L | 46.5 | Very low | 63.7 | Low | 70 Ų | 70 | 93.6 Ų | 93.6 | 37% | 0.366 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -99.5 | 124.7 | 170.3 | -69.2 | 170.7 | 0 | 0 | 0 | 109.7 | Q353 I355 | L351-Q353 PolarHBondContact O-N 2.86Å; L351-I355 HydrophobicContact CD2-CD1 4.32Å |
| 352 | P | 43.1 | Very low | 63.5 | Low | 90 Ų | 90 | 88.9 Ų | 88.9 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | trans | -59.9 | 137.7 | 169.3 | 25.5 | -32 | 0 | 0 | 0 | 108.7 | N354 I355 | P352-N354 PolarHBondContact O-N 3.11Å; P352-I355 HydrophobicContact CG-CD1 3.85Å; P352-I355 HydrophobicContact CG-CG1 4.15Å; P352-I355 PolarHBondContact O-N 2.91Å | ||
| 353 | Q | 47.8 | Very low | 63.3 | Low | 199 Ų | 199 | 84.1 Ų | 84.1 | 93% | 0.93 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 6.1 | -161.5 | -67.7 | 179.2 | -16.4 | 0 | 0 | 116.9 | L351 | L351-Q353 PolarHBondContact O-N 2.86Š|
| 354 | N | 50.3 | Low | 62.9 | Low | 156 Ų | 156 | 84.5 Ų | 84.5 | 83% | 0.834 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124.4 | 14.7 | -175.4 | -70.6 | -41.1 | 0 | 0 | 0 | 114.7 | P352 P356 | P352-N354 PolarHBondContact O-N 3.11Å; N354-P356 WeakPolarHBondContact O-CD 3.38Å |
| 355 | I | 56.3 | Low | 62.5 | Low | 72 Ų | 72 | 82.5 Ų | 82.5 | 37% | 0.369 | 45% | 0.447 | S | S | . | . | trans | -90.8 | 104.3 | 169.5 | -57.1 | -179.9 | 0 | 0 | 0 | 108.9 | L351 P352 K359 V360 | L351-I355 HydrophobicContact CD2-CD1 4.32Å; P352-I355 HydrophobicContact CG-CD1 3.85Å; P352-I355 HydrophobicContact CG-CG1 4.15Å; P352-I355 PolarHBondContact O-N 2.91Å; I355-K359 HydrophobicContact CG2-CB 3.92Å; I355-K359 HydrophobicContact CG2-CD 4.42Å; I355-V360 HydrophobicContact CG2-CG2 4.25Å | ||
| 356 | P | 64.7 | Low | 62.5 | Low | 73 Ų | 73 | 86.8 Ų | 86.8 | 47% | 0.474 | 46% | 0.458 | S | S | . | . | trans | -64.2 | 142.1 | 176.3 | 26.1 | -33.9 | 0 | 0 | 0 | 110.4 | N354 K358 K359 | N354-P356 WeakPolarHBondContact O-CD 3.38Å; P356-K358 PolarHBondContact O-N 2.86Å; P356-K359 HydrophobicContact CG-CG 4.3Å; P356-K359 PolarHBondContact O-N 3.25Å | ||
| 357 | L | 66.4 | Low | 62.9 | Low | 80 Ų | 80 | 89.4 Ų | 89.4 | 42% | 0.419 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -47.7 | -34.3 | 179.5 | -175.4 | 67.2 | 0 | 0 | 0 | 112.6 | K359 V360 I361 | L357-K359 VanDerWaalsContact C-N 3.29Å; L357-K359 PolarHBondContact O-N 2.97Å; L357-V360 WeakPolarHBondContact O-CB 3.47Å; L357-V360 PolarHBondContact O-N 2.91Å; L357-I361 HydrophobicContact CD2-CD1 4.4Å; L357-I361 HydrophobicContact CG-CD1 3.91Å; L357-I361 HydrophobicContact CG-CG1 4.38Å; L357-I361 WeakPolarHBondContact O-CD1 2.89Å; L357-I361 VanDerWaalsContact O-CG1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.01Å; L357-I361 PolarHBondContact O-N 2.91Å |
| 358 | K | 69.4 | Low | 63.9 | Low | 133 Ų | 133 | 85 Ų | 85 | 58% | 0.578 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -46.7 | -45.6 | 171.4 | -175 | 174.2 | 174.7 | 177.9 | 0 | 113.5 | P356 I361 E362 | P356-K358 PolarHBondContact O-N 2.86Å; K358-I361 PolarHBondContact O-N 2.83Å; K358-E362 VanDerWaalsContact CE-CD 3.46Å; K358-E362 WeakPolarHBondContact CE-OE1 2.87Å; K358-E362 HydrophobicContact CG-CG 4.46Å; K358-E362 IonicContact NZ-OE1 3.54Å; K358-E362 WeakPolarHBondContact O-CB 3.25Å; K358-E362 WeakPolarHBondContact O-CG 3.43Å; K358-E362 PolarHBondContact O-N 3.09Å |
| 359 | K | 70.2 | Confident | 65.2 | Low | 116 Ų | 116 | 81.6 Ų | 81.6 | 50% | 0.504 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 177.6 | -76.3 | -171.3 | 174.8 | -174.7 | 0 | 112.7 | I355 P356 L357 I361 E362 F363 | I355-K359 HydrophobicContact CG2-CB 3.92Å; I355-K359 HydrophobicContact CG2-CD 4.42Å; P356-K359 HydrophobicContact CG-CG 4.3Å; P356-K359 PolarHBondContact O-N 3.25Å; L357-K359 VanDerWaalsContact C-N 3.29Å; L357-K359 PolarHBondContact O-N 2.97Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 3.43Å; K359-E362 PolarHBondContact O-N 2.63Å; K359-F363 HydrophobicContact CB-CD2 4.3Å; K359-F363 HydrophobicContact CG-CD2 4.48Å; K359-F363 HydrophobicContact CG-CE2 4.48Å; K359-F363 WeakPolarHBondContact O-CB 3.02Å; K359-F363 WeakPolarHBondContact O-CD2 3.27Å; K359-F363 PolarHBondContact O-N 3.28Å |
| 360 | V | 70.3 | Confident | 66.8 | Low | 18 Ų | 18 | 78.7 Ų | 78.7 | 11% | 0.109 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 175.3 | 179.8 | 0 | 0 | 0 | 0 | 110.4 | I355 L357 G364 T365 | I355-V360 HydrophobicContact CG2-CG2 4.25Å; L357-V360 WeakPolarHBondContact O-CB 3.47Å; L357-V360 PolarHBondContact O-N 2.91Å; V360-G364 WeakPolarHBondContact O-CA 2.83Å; V360-G364 PolarHBondContact O-N 2.62Å; V360-T365 HydrophobicContact CG1-CG2 4.29Å |
| 361 | I | 75.7 | Confident | 68.3 | Low | 22 Ų | 22 | 71.4 Ų | 71.4 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -71.1 | -40 | 176.7 | -57.4 | 154.7 | 0 | 0 | 0 | 111.5 | F207 T240 L319 L357 K358 K359 | F207-I361 HydrophobicContact CE1-CG2 4.17Å; F207-I361 HydrophobicContact CZ-CG2 3.82Å; T240-I361 WeakPolarHBondContact CG2-O 3.29Å; L319-I361 HydrophobicContact CD1-CD1 3.91Å; L319-I361 HydrophobicContact CD2-CB 4.41Å; L319-I361 HydrophobicContact CD2-CD1 3.36Å; L319-I361 HydrophobicContact CD2-CG1 3.65Å; L319-I361 HydrophobicContact CD2-CG2 3.82Å; L319-I361 HydrophobicContact CG-CD1 4.22Å; L357-I361 HydrophobicContact CD2-CD1 4.4Å; L357-I361 HydrophobicContact CG-CD1 3.91Å; L357-I361 HydrophobicContact CG-CG1 4.38Å; L357-I361 WeakPolarHBondContact O-CD1 2.89Å; L357-I361 VanDerWaalsContact O-CG1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.01Å; L357-I361 PolarHBondContact O-N 2.91Å; K358-I361 PolarHBondContact O-N 2.83Å; K359-I361 VanDerWaalsContact C-N 3.28Å; K359-I361 PolarHBondContact O-N 3.43Å |
| 362 | E | 76.2 | Confident | 69.7 | Low | 34 Ų | 34 | 70.6 Ų | 70.6 | 16% | 0.159 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -78.8 | -32 | -176.8 | -73.8 | 173.2 | 160.2 | 0 | 0 | 113.7 | S232 K358 K359 | S232-E362 VanDerWaalsContact CB-O 3.25Å; S232-E362 WeakPolarHBondContact CB-O 2.81Å; S232-E362 PolarHBondContact OG-O 3.05Å; K358-E362 VanDerWaalsContact CE-CD 3.46Å; K358-E362 WeakPolarHBondContact CE-OE1 2.87Å; K358-E362 HydrophobicContact CG-CG 4.46Å; K358-E362 IonicContact NZ-OE1 3.54Å; K358-E362 WeakPolarHBondContact O-CB 3.25Å; K358-E362 WeakPolarHBondContact O-CG 3.43Å; K358-E362 PolarHBondContact O-N 3.09Å; K359-E362 PolarHBondContact O-N 2.63Å |
| 363 | F | 79.1 | Confident | 71.1 | Confident | 102 Ų | 102 | 66.6 Ų | 66.6 | 45% | 0.447 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -120.2 | -13.6 | -173.3 | -59.7 | -78.1 | 0 | 0 | 0 | 114.7 | H234 K359 | H234-F363 HydrophobicContact CB-CD1 4.18Å; H234-F363 HydrophobicContact CB-CE1 3.87Å; K359-F363 HydrophobicContact CB-CD2 4.3Å; K359-F363 HydrophobicContact CG-CD2 4.48Å; K359-F363 HydrophobicContact CG-CE2 4.48Å; K359-F363 WeakPolarHBondContact O-CB 3.02Å; K359-F363 WeakPolarHBondContact O-CD2 3.27Å; K359-F363 PolarHBondContact O-N 3.28Å |
| 364 | G | 75.3 | Confident | 72.1 | Confident | 16 Ų | 16 | 60.9 Ų | 60.9 | 17% | 0.165 | 32% | 0.316 | C | S | . | . | trans | 70.9 | 177.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | T240 V360 | T240-G364 VanDerWaalsContact CG2-N 3.3Å; V360-G364 WeakPolarHBondContact O-CA 2.83Å; V360-G364 PolarHBondContact O-N 2.62Å | ||
| 365 | T | 75 | Confident | 73.7 | Confident | 44 Ų | 44 | 56.2 Ų | 56.2 | 27% | 0.27 | 29% | 0.293 | S | S | . | . | trans | -145.6 | 155.7 | 172.6 | 55.7 | 0 | 0 | 0 | 0 | 110.2 | V360 I367 | V360-T365 HydrophobicContact CG1-CG2 4.29Å; T365-I367 PolarHBondContact O-N 3.15Å; T365-I367 VanDerWaalsContact O-N 3.14Å; T365-I367 PolarHBondContact OG1-O 3.4Å | ||
| 366 | E | 77.9 | Confident | 75.2 | Confident | 145 Ų | 145 | 54 Ų | 54 | 68% | 0.678 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -66.1 | -16.6 | 177.5 | -37.1 | -156.2 | 141.4 | 0 | 0 | 112.9 | Y239 | Y239-E366 HydrophobicContact CD2-CG 4.38Å; Y239-E366 HydrophobicContact CE2-CB 4.48Å; Y239-E366 HydrophobicContact CE2-CG 3.6Å; Y239-E366 VanDerWaalsContact OH-CD 3.31Å; Y239-E366 PolarHBondContact OH-OE1 3.33Å |
| 367 | I | 77.3 | Confident | 76.4 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 32% | 0.323 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 135 | 179.9 | -46.2 | 171.6 | 0 | 0 | 0 | 109 | L344 T346 T365 Y369 | L344-I367 HydrophobicContact CB-CG2 4.24Å; L344-I367 HydrophobicContact CD1-CG2 4.22Å; T346-I367 HydrophobicContact CG2-CB 4.24Å; T346-I367 HydrophobicContact CG2-CD1 4.09Å; T346-I367 HydrophobicContact CG2-CG2 3.54Å; T365-I367 PolarHBondContact O-N 3.15Å; T365-I367 VanDerWaalsContact O-N 3.14Å; T365-I367 PolarHBondContact OG1-O 3.4Å; I367-Y369 VanDerWaalsContact C-N 3.29Å; I367-Y369 PolarHBondContact O-N 2.97Å |
| 368 | N | 77.6 | Confident | 77.5 | Confident | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.053 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 68.4 | 20.8 | 177.6 | -59.4 | -20.2 | 0 | 0 | 0 | 115.5 | C325 N326 R332 L344 | C325-N368 PolarHBondContact O-ND2 2.85Å; N326-N368 PolarHBondContact OD1-ND2 3.46Å; R332-N368 WeakPolarHBondContact CD-OD1 3.29Å; R332-N368 PolarHBondContact NH1-OD1 3.26Å; L344-N368 PolarHBondContact N-OD1 2.91Å; L344-N368 PolarHBondContact O-ND2 2.98Å |
| 369 | Y | 78 | Confident | 78.4 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | trans | -104.7 | 142.4 | 176.3 | 165.2 | -107.5 | 0 | 0 | 0 | 113.5 | Y238 Y239 I367 | Y238-Y369 WeakPolarHBondContact O-CE2 3.44Å; Y239-Y369 VanDerWaalsContact CA-CD2 3.46Å; Y239-Y369 AromaticContact CD1-CD1 3.74Å; Y239-Y369 HydrophobicContact CD1-CD1 3.74Å; Y239-Y369 AromaticContact CD1-CE1 3.89Å; Y239-Y369 HydrophobicContact CD1-CE1 3.89Å; Y239-Y369 HydrophobicContact CD1-CG 4.13Å; Y239-Y369 HydrophobicContact CE1-CD1 4.28Å; Y239-Y369 HydrophobicContact CE1-CE1 4.34Å; Y239-Y369 WeakPolarHBondContact O-CD2 3.27Å; I367-Y369 VanDerWaalsContact C-N 3.29Å; I367-Y369 PolarHBondContact O-N 2.97Å | ||
| 370 | P | 79.1 | Confident | 79.4 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 25% | 0.247 | C | C | . | . | S | Bend | cis | -73.9 | 157.5 | -13.1 | 33.8 | -36.1 | 0 | 0 | 0 | 111.6 | Y241 G333 L334 K338 | Y241-P370 HydrophobicContact CD1-CB 4.27Å; G333-P370 PolarHBondContact N-O 2.74Å; L334-P370 HydrophobicContact CB-CG 4.46Å; L334-P370 HydrophobicContact CD1-CB 3.77Å; L334-P370 HydrophobicContact CD1-CG 3.98Å; L334-P370 HydrophobicContact CG-CB 4.29Å; L334-P370 HydrophobicContact CG-CG 4.12Å; K338-P370 HydrophobicContact CD-CG 4.47Å |
| 371 | F | 78.2 | Confident | 80.4 | Confident | 16 Ų | 16 | 46.5 Ų | 46.5 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 125.6 | -169 | -176.4 | -90.7 | 0 | 0 | 0 | 111.9 | Y241 S242 E243 N321 I322 C325 | Y241-F371 PolarHBondContact O-N 3.03Å; S242-F371 WeakPolarHBondContact CA-O 3.37Å; E243-F371 PolarHBondContact N-O 3.18Å; N321-F371 HydrophobicContact CB-CE1 3.63Å; N321-F371 HydrophobicContact CB-CZ 3.6Å; N321-F371 VanDerWaalsContact O-CZ 3.25Å; N321-F371 WeakPolarHBondContact O-CZ 3.28Å; I322-F371 HydrophobicContact CG1-CD1 4.1Å; I322-F371 HydrophobicContact CG1-CD2 4.18Å; I322-F371 HydrophobicContact CG1-CE1 4.16Å; I322-F371 HydrophobicContact CG1-CE2 4.25Å; I322-F371 HydrophobicContact CG1-CG 4.13Å; I322-F371 HydrophobicContact CG1-CZ 4.28Å; C325-F371 HydrophobicContact CB-CD2 4.34Å; C325-F371 HydrophobicContact CB-CE2 3.51Å; C325-F371 HydrophobicContact CB-CZ 4.41Å |
| 372 | D | 75.7 | Confident | 81.3 | Confident | 52 Ų | 52 | 45.8 Ų | 45.8 | 28% | 0.278 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 122 | 171.2 | -159.9 | 26.7 | 0 | 0 | 0 | 110.6 | K227 L334 S374 | K227-D372 IonicContact NZ-OD1 3.19Å; K227-D372 PolarHBondContact NZ-OD1 3.24Å; K227-D372 IonicContact NZ-OD2 3.94Å; L334-D372 HydrophobicContact CD2-CB 3.59Å; L334-D372 WeakPolarHBondContact CD2-OD1 2.98Å; D372-S374 PolarHBondContact O-N 2.78Å |
| 373 | G | 72.3 | Confident | 82.1 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 6% | 0.062 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 85.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | E243 N321 T375 | E243-G373 VanDerWaalsContact O-CA 3.27Å; E243-G373 WeakPolarHBondContact O-CA 3.12Å; E243-G373 PolarHBondContact O-N 3.06Å; N321-G373 WeakPolarHBondContact ND2-CA 2.76Å; G373-T375 PolarHBondContact O-N 3.46Å |
| 374 | S | 69.5 | Low | 82.7 | Confident | 80 Ų | 80 | 43.2 Ų | 43.2 | 56% | 0.559 | 24% | 0.239 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -56.4 | -31.3 | -178.7 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | D372 | D372-S374 PolarHBondContact O-N 2.78Å |
| 375 | T | 84.2 | Confident | 83.5 | Confident | 57 Ų | 57 | 43.7 Ų | 43.7 | 35% | 0.35 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 125.8 | 171 | 83.4 | 0 | 0 | 0 | 0 | 110.8 | L244 R317 N321 G373 | L244-T375 WeakPolarHBondContact CD1-O 3.17Å; R317-T375 WeakPolarHBondContact CD-OG1 3.45Å; R317-T375 PolarHBondContact NH1-OG1 2.63Å; N321-T375 PolarHBondContact ND2-O 2.65Å; N321-T375 PolarHBondContact OD1-OG1 2.69Å; G373-T375 PolarHBondContact O-N 3.46Å |
| 376 | P | 87.5 | Confident | 84 | Confident | 26 Ų | 26 | 47.7 Ų | 47.7 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 167.4 | 178.6 | 29.9 | -35.4 | 0 | 0 | 0 | 111.9 | A245 E247 R317 E378 | A245-P376 HydrophobicContact CB-CB 3.96Å; A245-P376 VanDerWaalsContact O-CA 3.31Å; A245-P376 WeakPolarHBondContact O-CA 3.17Å; A245-P376 WeakPolarHBondContact O-CB 3.34Å; E247-P376 HydrophobicContact CG-CB 3.87Å; E247-P376 HydrophobicContact CG-CG 4.19Å; R317-P376 PolarHBondContact NH1-O 2.76Å; P376-E378 HydrophobicContact CG-CG 4.35Å |
| 377 | I | 90.5 | Very high | 84.3 | Confident | 16 Ų | 16 | 47.4 Ų | 47.4 | 8% | 0.082 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.4 | 156.5 | -175.4 | 164.6 | 0 | 0 | 0 | 109.3 | L244 A245 L246 E247 Y309 I314 R317 | L244-I377 HydrophobicContact CD2-CB 4.27Å; L244-I377 HydrophobicContact CD2-CG2 3.93Å; L244-I377 HydrophobicContact CG-CG2 4.19Å; A245-I377 PolarHBondContact O-N 2.7Å; L246-I377 HydrophobicContact CD2-CG2 3.36Å; E247-I377 PolarHBondContact N-O 2.54Å; Y309-I377 HydrophobicContact CD1-CD1 4.01Å; Y309-I377 HydrophobicContact CD1-CG1 4Å; Y309-I377 HydrophobicContact CD1-CG2 4.3Å; Y309-I377 HydrophobicContact CE1-CG1 4.25Å; Y309-I377 HydrophobicContact CE1-CG2 4.23Å; I314-I377 HydrophobicContact CB-CD1 4.5Å; I314-I377 HydrophobicContact CG1-CD1 3.79Å; R317-I377 HydrophobicContact CG-CB 4.24Å |
| 378 | E | 87.8 | Confident | 84.8 | Confident | 107 Ų | 107 | 45.4 Ų | 45.4 | 50% | 0.5 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 144.6 | 178.4 | -50.6 | -169.5 | 149.5 | 0 | 0 | 110.5 | K249 P376 | K249-E378 IonicContact NZ-OE1 3.46Å; K249-E378 PolarHBondContact NZ-OE1 2.66Å; K249-E378 IonicContact NZ-OE2 2.71Å; K249-E378 PolarHBondContact NZ-OE2 2.66Å; P376-E378 HydrophobicContact CG-CG 4.35Å |
| 379 | Q | 89.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 46.8 Ų | 46.8 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.3 | 169.9 | -176.4 | 61.5 | -60.6 | 0 | 0 | 111.4 | E247 C248 K249 C307 V308 Y309 | E247-Q379 PolarHBondContact O-N 2.93Å; C248-Q379 WeakPolarHBondContact CA-O 3.47Å; K249-Q379 PolarHBondContact N-O 2.7Å; C307-Q379 HydrophobicContact CB-CB 4.47Å; C307-Q379 HydrophobicContact CB-CG 4.33Å; C307-Q379 PolarHBondContact SG-O 3.47Å; V308-Q379 WeakPolarHBondContact O-CG 3Å; V308-Q379 PolarHBondContact O-NE2 3.16Å; Y309-Q379 HydrophobicContact CD1-CB 3.9Å; Y309-Q379 HydrophobicContact CD1-CG 4.48Å; Y309-Q379 HydrophobicContact CE1-CB 3.36Å; Y309-Q379 HydrophobicContact CE1-CG 4.29Å |
| 380 | D | 90.3 | Very high | 86.3 | Confident | 86 Ų | 86 | 44.9 Ų | 44.9 | 46% | 0.46 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 140.4 | 170.7 | -72.6 | -35.2 | 0 | 0 | 0 | 111.3 | K249 A382 N422 | K249-D380 CarbonylContact O-C 3.58Å; K249-D380 WeakPolarHBondContact O-CA 3.33Å; D380-A382 PolarHBondContact O-N 2.88Å; D380-N422 HydrophobicContact CB-CB 4.1Å |
| 381 | A | 91.9 | Very high | 86.9 | Confident | 14 Ų | 14 | 45.4 Ų | 45.4 | 12% | 0.116 | 25% | 0.248 | C | C | . | . | trans | -63 | 128.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K249 A250 V305 L306 V384 | K249-A381 WeakPolarHBondContact O-CB 3.35Å; K249-A381 PolarHBondContact O-N 2.68Å; A250-A381 HydrophobicContact CB-CB 4.1Å; V305-A381 HydrophobicContact CB-CB 3.87Å; V305-A381 HydrophobicContact CG1-CB 4.11Å; L306-A381 CarbonylContact O-C 3.59Å; A381-V384 HydrophobicContact CB-CG2 4.06Å | ||
| 382 | A | 93.6 | Very high | 87.7 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 7% | 0.066 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -77.2 | -34 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L306 V308 D380 S423 A424 | L306-A382 PolarHBondContact O-N 3.15Å; V308-A382 HydrophobicContact CG2-CB 4.03Å; D380-A382 PolarHBondContact O-N 2.88Å; A382-S423 CarbonylContact O-C 3.38Å; A382-A424 HydrophobicContact CB-CB 4.06Å; A382-A424 PolarHBondContact O-N 3.27Å |
| 383 | L | 94.1 | Very high | 88.6 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 10% | 0.099 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 144 | 173.7 | -175.4 | 66.6 | 0 | 0 | 0 | 109.8 | V305 L306 E385 L406 A424 V426 | V305-L383 CarbonylContact C-O 3.55Å; V305-L383 WeakPolarHBondContact CA-O 3.45Å; V305-L383 WeakPolarHBondContact CB-O 2.96Å; L306-L383 HydrophobicContact CB-CB 3.95Å; L306-L383 PolarHBondContact N-O 2.89Å; L306-L383 PolarHBondContact O-N 2.65Å; L383-E385 HydrophobicContact CD2-CG 4.25Å; L383-E385 HydrophobicContact CG-CG 4.35Å; L383-L406 HydrophobicContact CD2-CD1 3.46Å; L383-L406 VanDerWaalsContact CD2-CD1 3.46Å; L383-A424 HydrophobicContact CB-CB 4.3Å; L383-V426 HydrophobicContact CD1-CG2 3.97Å; L383-V426 HydrophobicContact CD2-CG2 3.65Å; L383-V426 HydrophobicContact CG-CG2 4.48Å |
| 384 | V | 92 | Very high | 89.7 | Confident | 62 Ų | 62 | 42 Ų | 42 | 38% | 0.376 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 131 | 173.5 | -175 | 0 | 0 | 0 | 0 | 108.8 | A250 V305 A381 E386 | A250-V384 HydrophobicContact CB-CG2 3.92Å; V305-V384 HydrophobicContact CG1-CB 4.28Å; V305-V384 HydrophobicContact CG1-CG1 4.07Å; V305-V384 HydrophobicContact CG1-CG2 4.02Å; A381-V384 HydrophobicContact CB-CG2 4.06Å; V384-E386 HydrophobicContact CG1-CG 4.37Å |
| 385 | E | 91.1 | Very high | 90.9 | Very high | 26 Ų | 26 | 38.3 Ų | 38.3 | 12% | 0.121 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 109.2 | 179.4 | -74 | -77.9 | -178.7 | 0 | 0 | 108.4 | R303 S304 L383 L390 K414 | R303-E385 WeakPolarHBondContact CA-O 2.78Å; S304-E385 PolarHBondContact N-O 3.2Å; S304-E385 PolarHBondContact O-N 2.98Å; L383-E385 HydrophobicContact CD2-CG 4.25Å; L383-E385 HydrophobicContact CG-CG 4.35Å; E385-L390 HydrophobicContact CB-CD1 4.49Å; E385-L390 HydrophobicContact CB-CG 4.47Å; E385-L390 HydrophobicContact CG-CD1 4.04Å; E385-L390 HydrophobicContact CG-CD2 4.26Å; E385-L390 HydrophobicContact CG-CG 4.29Å; E385-K414 VanDerWaalsContact OE1-CD 3.32Å; E385-K414 WeakPolarHBondContact OE1-CD 3.48Å; E385-K414 IonicContact OE1-NZ 2.97Å; E385-K414 PolarHBondContact OE1-NZ 3.4Å; E385-K414 IonicContact OE2-NZ 2.77Å; E385-K414 PolarHBondContact OE2-NZ 2.74Å |
| 386 | E | 85 | Confident | 91.4 | Very high | 129 Ų | 129 | 36.3 Ų | 36.3 | 60% | 0.603 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -84 | -28.5 | -170.7 | -60.3 | -162.9 | 155.8 | 0 | 0 | 113.8 | R303 V384 | R303-E386 WeakPolarHBondContact CG-O 3.41Å; V384-E386 HydrophobicContact CG1-CG 4.37Å |
| 387 | D | 84.8 | Confident | 91.6 | Very high | 138 Ų | 138 | 38.1 Ų | 38.1 | 74% | 0.738 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -111.6 | -6.8 | -171.2 | -61.7 | -41 | 0 | 0 | 0 | 114.1 | ||
| 388 | V | 88.4 | Confident | 91.5 | Very high | 22 Ų | 22 | 38.1 Ų | 38.1 | 13% | 0.133 | 20% | 0.203 | C | C | . | . | trans | -136.8 | 122.1 | -169.9 | -178.3 | 0 | 0 | 0 | 0 | 112 | Q302 L390 T408 | Q302-V388 CarbonylContact O-C 3.42Å; V388-L390 PolarHBondContact O-N 2.97Å; V388-T408 HydrophobicContact CG1-CG2 3.67Å | ||
| 389 | Q | 91.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 37 Ų | 37 | 18% | 0.178 | 20% | 0.197 | C | C | . | . | trans | -71.2 | 125.5 | 173.7 | -168.5 | -164.6 | -12.1 | 0 | 0 | 110.3 | Q302 S304 T391 T408 H409 | Q302-Q389 WeakPolarHBondContact O-CA 3.31Å; Q302-Q389 PolarHBondContact O-N 2.74Å; S304-Q389 WeakPolarHBondContact OG-CA 3.01Å; Q389-T391 HydrophobicContact CG-CG2 4.47Å; Q389-T408 WeakPolarHBondContact O-CA 3.46Å; Q389-H409 HydrophobicContact CB-CB 4.09Å; Q389-H409 PolarHBondContact N-ND1 2.84Å; Q389-H409 PolarHBondContact O-N 2.72Å; Q389-H409 PolarHBondContact O-ND1 3.02Å | ||
| 390 | L | 94.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 127 | 173.3 | -58.3 | 179.8 | 0 | 0 | 0 | 109.8 | T261 L288 S304 E385 V388 L406 G407 T408 | T261-L390 VanDerWaalsContact CB-O 3.31Å; T261-L390 WeakPolarHBondContact CB-O 3.28Å; T261-L390 PolarHBondContact OG1-O 2.61Å; L288-L390 HydrophobicContact CD1-CB 3.67Å; L288-L390 HydrophobicContact CD2-CB 4.05Å; L288-L390 HydrophobicContact CD2-CD1 3.6Å; L288-L390 HydrophobicContact CD2-CG 4.5Å; L288-L390 HydrophobicContact CG-CB 4.35Å; S304-L390 PolarHBondContact OG-N 2.84Å; E385-L390 HydrophobicContact CB-CD1 4.49Å; E385-L390 HydrophobicContact CB-CG 4.47Å; E385-L390 HydrophobicContact CG-CD1 4.04Å; E385-L390 HydrophobicContact CG-CD2 4.26Å; E385-L390 HydrophobicContact CG-CG 4.29Å; V388-L390 PolarHBondContact O-N 2.97Å; L390-L406 HydrophobicContact CD1-CD1 4.18Å; L390-L406 HydrophobicContact CD2-CB 4.28Å; L390-G407 CarbonylContact C-O 3.52Å; L390-G407 WeakPolarHBondContact CA-O 3.42Å; L390-T408 HydrophobicContact CD2-CG2 3.97Å |
| 391 | T | 92.2 | Very high | 91.1 | Very high | 12 Ų | 12 | 36.2 Ų | 36.2 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | -16.2 | -167.6 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | A262 Q389 G407 T408 H409 V438 | A262-T391 WeakPolarHBondContact CB-O 3.1Å; Q389-T391 HydrophobicContact CG-CG2 4.47Å; T391-G407 PolarHBondContact N-O 3.03Å; T391-G407 PolarHBondContact OG1-O 3.12Å; T391-T408 VanDerWaalsContact OG1-C 3.29Å; T391-T408 PolarHBondContact OG1-N 3.06Å; T391-T408 PolarHBondContact OG1-O 3.48Å; T391-H409 HydrophobicContact CG2-CB 3.8Å; T391-V438 WeakPolarHBondContact CB-O 3.4Å; T391-V438 PolarHBondContact OG1-O 2.93Å |
| 392 | A | 94 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 149.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L288 L406 G407 V438 L439 V442 | L288-A392 VanDerWaalsContact CD1-O 3.29Å; L288-A392 WeakPolarHBondContact CD1-O 2.81Å; A392-L406 CarbonylContact O-C 3.56Å; A392-L406 VanDerWaalsContact O-CA 3.29Å; A392-L406 WeakPolarHBondContact O-CA 3.24Å; A392-G407 PolarHBondContact N-O 3.31Å; A392-G407 PolarHBondContact O-N 3.15Å; A392-V438 HydrophobicContact CB-CG1 4.29Å; A392-L439 WeakPolarHBondContact CB-O 3.32Å; A392-V442 HydrophobicContact CB-CG2 3.66Å |
| 393 | V | 96 | Very high | 91.3 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.012 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 136.6 | 170.8 | 52.2 | 0 | 0 | 0 | 0 | 109.5 | A262 Y264 L288 L306 T395 F405 L406 | A262-V393 HydrophobicContact CB-CG1 4.18Å; Y264-V393 WeakPolarHBondContact CB-O 3.3Å; L288-V393 HydrophobicContact CD1-CB 3.8Å; L288-V393 HydrophobicContact CD1-CG1 4.04Å; L288-V393 HydrophobicContact CG-CB 3.99Å; L288-V393 HydrophobicContact CG-CG1 3.99Å; L306-V393 HydrophobicContact CD1-CG2 4.44Å; V393-T395 HydrophobicContact CG2-CG2 4.08Å; V393-F405 CarbonylContact C-O 3.39Å; V393-F405 WeakPolarHBondContact CA-O 3.49Å; V393-L406 HydrophobicContact CB-CD2 3.95Å; V393-L406 HydrophobicContact CG2-CD2 3.73Å |
| 394 | A | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 137.8 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | Y264 F405 V442 F444 | Y264-A394 HydrophobicContact CD2-CB 4.04Å; Y264-A394 HydrophobicContact CE2-CB 3.9Å; A394-F405 PolarHBondContact N-O 3.47Å; A394-F405 PolarHBondContact O-N 3.28Å; A394-V442 HydrophobicContact CB-CB 3.98Å; A394-V442 HydrophobicContact CB-CG1 3.7Å; A394-F444 HydrophobicContact CB-CE2 3.81Å; A394-F444 HydrophobicContact CB-CZ 4.28Å |
| 395 | T | 95.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 3% | 0.025 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 151.8 | -177.9 | 67.1 | 0 | 0 | 0 | 0 | 113.4 | Y264 Y286 V393 V403 A404 F444 | Y264-T395 VanDerWaalsContact CD1-N 3.3Å; Y264-T395 WeakPolarHBondContact CD1-OG1 3.5Å; Y264-T395 VanDerWaalsContact CE1-N 3.28Å; Y264-T395 WeakPolarHBondContact CE1-O 3.38Å; Y286-T395 HydrophobicContact CD1-CG2 3.74Å; Y286-T395 HydrophobicContact CD2-CG2 3.6Å; Y286-T395 WeakPolarHBondContact CD2-OG1 3.33Å; Y286-T395 HydrophobicContact CE1-CG2 4.1Å; Y286-T395 HydrophobicContact CE2-CG2 3.98Å; Y286-T395 WeakPolarHBondContact CE2-OG1 2.84Å; Y286-T395 HydrophobicContact CG-CG2 3.49Å; Y286-T395 VanDerWaalsContact CG-CG2 3.49Å; V393-T395 HydrophobicContact CG2-CG2 4.08Å; T395-V403 VanDerWaalsContact CA-O 3.27Å; T395-V403 WeakPolarHBondContact CA-O 3.03Å; T395-A404 HydrophobicContact CG2-CB 3.85Å; T395-F444 VanDerWaalsContact O-CE2 3.31Å; T395-F444 WeakPolarHBondContact O-CE2 2.95Å |
| 396 | T | 93.8 | Very high | 91.8 | Very high | 14 Ų | 14 | 30.1 Ų | 30.1 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 168.9 | -179.8 | -174.9 | 0 | 0 | 0 | 0 | 109.4 | V403 F405 F444 Y492 | T396-V403 HydrophobicContact CG2-CB 4.26Å; T396-V403 PolarHBondContact N-O 2.91Å; T396-V403 PolarHBondContact O-N 3.42Å; T396-F405 HydrophobicContact CG2-CE2 3.89Å; T396-F444 HydrophobicContact CG2-CE1 3.68Å; T396-F444 HydrophobicContact CG2-CE2 4.24Å; T396-F444 HydrophobicContact CG2-CZ 3.5Å; T396-Y492 WeakPolarHBondContact CG2-OH 3.23Å |
| 397 | T | 91.9 | Very high | 92.2 | Very high | 64 Ų | 64 | 24 Ų | 24 | 39% | 0.393 | 13% | 0.126 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.3 | -176.9 | 54.6 | 0 | 0 | 0 | 0 | 110.1 | K267 Y401 | K267-T397 HydrophobicContact CB-CG2 4.22Å; T397-Y401 WeakPolarHBondContact CA-O 2.86Å |
| 398 | T | 87.7 | Confident | 92.6 | Very high | 16 Ų | 16 | 17.4 Ų | 17.4 | 10% | 0.098 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.7 | 172.6 | -174.5 | 0 | 0 | 0 | 0 | 109.4 | M400 Y401 V403 P491 Y492 | T398-M400 PolarHBondContact O-N 3Å; T398-Y401 PolarHBondContact N-O 3.47Å; T398-Y401 PolarHBondContact O-N 3.47Å; T398-V403 HydrophobicContact CG2-CG2 3.89Å; T398-P491 HydrophobicContact CG2-CB 3.72Å; T398-Y492 HydrophobicContact CG2-CD1 3.94Å; T398-Y492 HydrophobicContact CG2-CD2 4.33Å; T398-Y492 HydrophobicContact CG2-CE1 3.98Å; T398-Y492 HydrophobicContact CG2-CE2 4.36Å; T398-Y492 HydrophobicContact CG2-CG 4.13Å |
| 399 | H | 82.2 | Confident | 92.7 | Very high | 83 Ų | 83 | 19.4 Ų | 19.4 | 38% | 0.384 | 10% | 0.098 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50 | -111.3 | -172.5 | -50.8 | -69.1 | 0 | 0 | 0 | 112.5 | Q505 | H399-Q505 PolarHBondContact CE1-OE1 3.23Å; H399-Q505 PolarHBondContact ND1-OE1 3.32Å |
| 400 | M | 87.7 | Confident | 92.5 | Very high | 85 Ų | 85 | 18.9 Ų | 18.9 | 42% | 0.419 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -3.5 | -179 | -56 | -64.4 | -93.3 | 0 | 0 | 112.9 | G269 F270 D271 T398 | G269-M400 CarbonylContact C-O 3.54Å; F270-M400 HydrophobicContact CB-CB 4.22Å; F270-M400 HydrophobicContact CB-CE 3.68Å; F270-M400 HydrophobicContact CB-SD 3.66Å; F270-M400 HydrophobicContact CD1-CE 3.29Å; F270-M400 HydrophobicContact CD1-SD 4.41Å; F270-M400 HydrophobicContact CD2-CE 4.04Å; F270-M400 HydrophobicContact CE1-CE 3.85Å; F270-M400 HydrophobicContact CG-CE 3.39Å; F270-M400 HydrophobicContact CG-SD 4.04Å; F270-M400 HydrophobicContact CZ-CE 4.43Å; F270-M400 PolarHBondContact N-O 3.4Å; D271-M400 PolarHBondContact N-O 3.47Å; T398-M400 PolarHBondContact O-N 3Å |
| 401 | Y | 91.2 | Very high | 92.2 | Very high | 25 Ų | 25 | 18.9 Ų | 18.9 | 10% | 0.098 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 151.5 | -165.2 | -50.8 | -68.7 | 0 | 0 | 0 | 112.6 | T397 T398 P491 Y515 K516 | T397-Y401 WeakPolarHBondContact CA-O 2.86Å; T398-Y401 PolarHBondContact N-O 3.47Å; T398-Y401 PolarHBondContact O-N 3.47Å; Y401-P491 HydrophobicContact CD2-CB 3.78Å; Y401-P491 HydrophobicContact CG-CB 3.93Å; Y401-Y515 HydrophobicContact CD1-CE1 4.11Å; Y401-Y515 HydrophobicContact CD2-CE1 4.11Å; Y401-Y515 AromaticContact CE1-CE1 3.73Å; Y401-Y515 HydrophobicContact CE1-CE1 3.73Å; Y401-Y515 AromaticContact CE1-CZ 3.92Å; Y401-Y515 WeakPolarHBondContact CE1-OH 3.38Å; Y401-Y515 HydrophobicContact CE2-CD1 4.28Å; Y401-Y515 AromaticContact CE2-CE1 3.72Å; Y401-Y515 HydrophobicContact CE2-CE1 3.72Å; Y401-Y515 HydrophobicContact CG-CE1 4.29Å; Y401-Y515 AromaticContact CZ-CE1 3.51Å; Y401-K516 HydrophobicContact CE1-CD 3.97Å; Y401-K516 WeakPolarHBondContact OH-CB 3.38Å |
| 402 | T | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.006 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 129.8 | 171.6 | -53.1 | 0 | 0 | 0 | 0 | 108.6 | G269 L272 Y286 V418 | G269-T402 PolarHBondContact N-OG1 2.93Å; L272-T402 HydrophobicContact CD2-CG2 3.96Å; L272-T402 WeakPolarHBondContact CD2-OG1 3.46Å; Y286-T402 HydrophobicContact CE1-CG2 4Å; Y286-T402 VanDerWaalsContact OH-CG2 3.23Å; Y286-T402 WeakPolarHBondContact OH-CG2 3.11Å; T402-V418 HydrophobicContact CG2-CB 4.2Å; T402-V418 HydrophobicContact CG2-CG2 4.46Å; T402-V418 PolarHBondContact O-N 3.06Å |
| 403 | V | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 132.2 | 177.8 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | T395 T396 T398 F405 A416 Y427 P491 Y492 | T395-V403 VanDerWaalsContact CA-O 3.27Å; T395-V403 WeakPolarHBondContact CA-O 3.03Å; T396-V403 HydrophobicContact CG2-CB 4.26Å; T396-V403 PolarHBondContact N-O 2.91Å; T396-V403 PolarHBondContact O-N 3.42Å; T398-V403 HydrophobicContact CG2-CG2 3.89Å; V403-F405 HydrophobicContact CB-CE2 4.19Å; V403-F405 HydrophobicContact CG1-CD2 4.17Å; V403-F405 HydrophobicContact CG1-CE2 3.55Å; V403-F405 HydrophobicContact CG1-CZ 4.08Å; V403-A416 CarbonylContact C-O 3.54Å; V403-A416 WeakPolarHBondContact CA-O 3.17Å; V403-Y427 HydrophobicContact CG1-CE1 4.13Å; V403-P491 HydrophobicContact CG2-CB 4.09Å; V403-P491 HydrophobicContact CG2-CG 3.95Å; V403-Y492 HydrophobicContact CB-CE2 4.36Å; V403-Y492 HydrophobicContact CG1-CE2 4.23Å; V403-Y492 HydrophobicContact CG2-CE2 3.97Å |
| 404 | A | 95.4 | Very high | 92 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 133 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L306 T395 L406 A416 V418 | L306-A404 HydrophobicContact CD2-CB 4.44Å; T395-A404 HydrophobicContact CG2-CB 3.85Å; A404-L406 HydrophobicContact CB-CD2 4.07Å; A404-L406 HydrophobicContact CB-CG 4.48Å; A404-A416 PolarHBondContact N-O 3.22Å; A404-A416 PolarHBondContact O-N 2.65Å; A404-V418 HydrophobicContact CB-CG2 4.04Å |
| 405 | F | 96.2 | Very high | 92 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 115.8 | 176.4 | -68.5 | -104.2 | 0 | 0 | 0 | 107.5 | V393 A394 T396 V403 L413 K414 K415 F444 V451 V473 Y492 | V393-F405 CarbonylContact C-O 3.39Å; V393-F405 WeakPolarHBondContact CA-O 3.49Å; A394-F405 PolarHBondContact N-O 3.47Å; A394-F405 PolarHBondContact O-N 3.28Å; T396-F405 HydrophobicContact CG2-CE2 3.89Å; V403-F405 HydrophobicContact CB-CE2 4.19Å; V403-F405 HydrophobicContact CG1-CD2 4.17Å; V403-F405 HydrophobicContact CG1-CE2 3.55Å; V403-F405 HydrophobicContact CG1-CZ 4.08Å; F405-L413 HydrophobicContact CB-CD1 4.24Å; F405-L413 HydrophobicContact CD1-CD2 4.16Å; F405-K414 CarbonylContact C-O 3.49Å; F405-K414 WeakPolarHBondContact CA-O 3.31Å; F405-K415 HydrophobicContact CD1-CD 4.37Å; F405-K415 HydrophobicContact CD1-CG 3.94Å; F405-K415 HydrophobicContact CE1-CD 3.72Å; F405-K415 HydrophobicContact CE1-CG 3.79Å; F405-K415 HydrophobicContact CZ-CD 4.33Å; F405-F444 AromaticContact CD2-CE1 3.82Å; F405-F444 HydrophobicContact CD2-CE1 3.82Å; F405-F444 AromaticContact CD2-CZ 3.54Å; F405-F444 HydrophobicContact CD2-CZ 3.54Å; F405-F444 AromaticContact CE2-CE1 3.72Å; F405-F444 HydrophobicContact CE2-CE1 3.72Å; F405-F444 AromaticContact CE2-CZ 3.81Å; F405-F444 HydrophobicContact CE2-CZ 3.81Å; F405-F444 HydrophobicContact CG-CE1 4.48Å; F405-F444 HydrophobicContact CG-CZ 4.31Å; F405-F444 HydrophobicContact CZ-CE1 4.29Å; F405-V451 HydrophobicContact CD1-CG1 4.07Å; F405-V451 HydrophobicContact CE1-CG1 4.13Å; F405-V473 HydrophobicContact CE1-CB 4.35Å; F405-V473 HydrophobicContact CE1-CG1 4.28Å; F405-V473 HydrophobicContact CZ-CB 3.8Å; F405-V473 HydrophobicContact CZ-CG1 3.84Å; F405-Y492 HydrophobicContact CZ-CE2 4.33Å |
| 406 | L | 96 | Very high | 92 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 110.6 | -167 | -50.4 | 177.3 | 0 | 0 | 0 | 109.9 | L288 L306 L383 L390 A392 V393 A404 L413 K414 A416 | L288-L406 HydrophobicContact CD2-CD2 4.25Å; L306-L406 HydrophobicContact CD2-CD2 4.5Å; L383-L406 HydrophobicContact CD2-CD1 3.46Å; L383-L406 VanDerWaalsContact CD2-CD1 3.46Å; L390-L406 HydrophobicContact CD1-CD1 4.18Å; L390-L406 HydrophobicContact CD2-CB 4.28Å; A392-L406 CarbonylContact O-C 3.56Å; A392-L406 VanDerWaalsContact O-CA 3.29Å; A392-L406 WeakPolarHBondContact O-CA 3.24Å; V393-L406 HydrophobicContact CB-CD2 3.95Å; V393-L406 HydrophobicContact CG2-CD2 3.73Å; A404-L406 HydrophobicContact CB-CD2 4.07Å; A404-L406 HydrophobicContact CB-CG 4.48Å; L406-L413 CarbonylContact O-C 3.41Å; L406-L413 WeakPolarHBondContact O-CA 3.35Å; L406-K414 HydrophobicContact CB-CB 4.27Å; L406-K414 PolarHBondContact N-O 2.77Å; L406-K414 PolarHBondContact O-N 3.47Å; L406-A416 HydrophobicContact CD1-CB 4.34Å |
| 407 | G | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 151.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L390 T391 A392 R412 | L390-G407 CarbonylContact C-O 3.52Å; L390-G407 WeakPolarHBondContact CA-O 3.42Å; T391-G407 PolarHBondContact N-O 3.03Å; T391-G407 PolarHBondContact OG1-O 3.12Å; A392-G407 PolarHBondContact N-O 3.31Å; A392-G407 PolarHBondContact O-N 3.15Å; G407-R412 WeakPolarHBondContact CA-O 3.41Å |
| 408 | T | 93.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 156.5 | -178.3 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | V388 Q389 L390 T391 D410 G411 R412 K414 V438 | V388-T408 HydrophobicContact CG1-CG2 3.67Å; Q389-T408 WeakPolarHBondContact O-CA 3.46Å; L390-T408 HydrophobicContact CD2-CG2 3.97Å; T391-T408 VanDerWaalsContact OG1-C 3.29Å; T391-T408 PolarHBondContact OG1-N 3.06Å; T391-T408 PolarHBondContact OG1-O 3.48Å; T408-D410 WeakPolarHBondContact CB-OD1 3.19Å; T408-D410 PolarHBondContact O-N 3.4Å; T408-D410 PolarHBondContact OG1-OD1 2.77Å; T408-G411 PolarHBondContact O-N 3.02Å; T408-G411 PolarHBondContact OG1-N 3.42Å; T408-R412 HydrophobicContact CG2-CB 4.26Å; T408-R412 PolarHBondContact N-O 2.82Å; T408-R412 WeakPolarHBondContact OG1-CA 3.4Å; T408-R412 WeakPolarHBondContact OG1-CB 3.13Å; T408-R412 PolarHBondContact OG1-N 3.02Å; T408-R412 PolarHBondContact OG1-O 3.39Å; T408-R412 VanDerWaalsContact OG1-O 3.11Å; T408-K414 HydrophobicContact CG2-CD 4.43Å; T408-K414 HydrophobicContact CG2-CG 4.22Å; T408-V438 PolarHBondContact O-N 3.08Å |
| 409 | H | 89.7 | Confident | 92.1 | Very high | 63 Ų | 63 | 23.5 Ų | 23.5 | 29% | 0.292 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -21.2 | 178.7 | 79.1 | -71.5 | 0 | 0 | 0 | 114.3 | Q389 T391 S437 | Q389-H409 HydrophobicContact CB-CB 4.09Å; Q389-H409 PolarHBondContact N-ND1 2.84Å; Q389-H409 PolarHBondContact O-N 2.72Å; Q389-H409 PolarHBondContact O-ND1 3.02Å; T391-H409 HydrophobicContact CG2-CB 3.8Å; H409-S437 VanDerWaalsContact O-CA 3.22Å; H409-S437 WeakPolarHBondContact O-CA 3.11Å; H409-S437 PolarHBondContact O-N 3.02Å |
| 410 | D | 87.8 | Confident | 92.5 | Very high | 27 Ų | 27 | 20.4 Ų | 20.4 | 14% | 0.144 | 9% | 0.094 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 8.1 | 179.9 | 66.1 | -15.1 | 0 | 0 | 0 | 113.5 | T408 R412 G435 | T408-D410 WeakPolarHBondContact CB-OD1 3.19Å; T408-D410 PolarHBondContact O-N 3.4Å; T408-D410 PolarHBondContact OG1-OD1 2.77Å; D410-R412 IonicContact OD2-CZ 3.37Å; D410-R412 IonicContact OD2-NH1 3.03Å; D410-R412 PolarHBondContact OD2-NH1 3.3Å; D410-G435 PolarHBondContact O-N 3.43Å |
| 411 | G | 87.5 | Confident | 92.5 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 88.3 | 30.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 116 | T408 I432 D433 R436 | T408-G411 PolarHBondContact O-N 3.02Å; T408-G411 PolarHBondContact OG1-N 3.42Å; G411-I432 PolarHBondContact O-N 3.35Å; G411-D433 WeakPolarHBondContact CA-O 2.99Å; G411-D433 PolarHBondContact O-N 3.27Å; G411-D433 VanDerWaalsContact O-N 3.16Å; G411-R436 WeakPolarHBondContact CA-O 3.16Å; G411-R436 PolarHBondContact N-O 3.32Å |
| 412 | R | 92 | Very high | 92.5 | Very high | 98 Ų | 98 | 20 Ų | 20 | 37% | 0.37 | 10% | 0.097 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 157.9 | 175.9 | -61.5 | 169.7 | 163.2 | 107.5 | 5.4 | 110.9 | G407 T408 D410 T429 V430 L431 V438 | G407-R412 WeakPolarHBondContact CA-O 3.41Å; T408-R412 HydrophobicContact CG2-CB 4.26Å; T408-R412 PolarHBondContact N-O 2.82Å; T408-R412 WeakPolarHBondContact OG1-CA 3.4Å; T408-R412 WeakPolarHBondContact OG1-CB 3.13Å; T408-R412 PolarHBondContact OG1-N 3.02Å; T408-R412 PolarHBondContact OG1-O 3.39Å; T408-R412 VanDerWaalsContact OG1-O 3.11Å; D410-R412 IonicContact OD2-CZ 3.37Å; D410-R412 IonicContact OD2-NH1 3.03Å; D410-R412 PolarHBondContact OD2-NH1 3.3Å; R412-T429 HydrophobicContact CB-CG2 3.99Å; R412-T429 HydrophobicContact CG-CG2 4.4Å; R412-V430 CarbonylContact C-O 3.56Å; R412-V430 WeakPolarHBondContact CA-O 3.08Å; R412-V430 WeakPolarHBondContact CB-O 3.46Å; R412-L431 HydrophobicContact CG-CD1 3.7Å; R412-V438 WeakPolarHBondContact O-CG2 3.45Å |
| 413 | L | 92.8 | Very high | 92.4 | Very high | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 108.5 | 172 | -173.3 | 73.9 | 0 | 0 | 0 | 108.7 | F405 L406 V430 I432 V451 M471 | F405-L413 HydrophobicContact CB-CD1 4.24Å; F405-L413 HydrophobicContact CD1-CD2 4.16Å; L406-L413 CarbonylContact O-C 3.41Å; L406-L413 WeakPolarHBondContact O-CA 3.35Å; L413-V430 PolarHBondContact N-O 3.32Å; L413-V430 PolarHBondContact O-N 3.18Å; L413-I432 HydrophobicContact CB-CD1 3.66Å; L413-I432 HydrophobicContact CB-CG1 4.41Å; L413-I432 HydrophobicContact CD2-CD1 4.45Å; L413-V451 HydrophobicContact CD2-CG1 4.18Å; L413-M471 HydrophobicContact CD2-CE 3.76Å; L413-M471 HydrophobicContact CD2-SD 4.04Å |
| 414 | K | 94.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 22.3 Ų | 22.3 | 11% | 0.109 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 136.6 | 175.6 | -56.1 | -169.7 | 161.2 | -168 | 0 | 109.6 | E385 F405 L406 T408 V426 E428 T429 | E385-K414 VanDerWaalsContact OE1-CD 3.32Å; E385-K414 WeakPolarHBondContact OE1-CD 3.48Å; E385-K414 IonicContact OE1-NZ 2.97Å; E385-K414 PolarHBondContact OE1-NZ 3.4Å; E385-K414 IonicContact OE2-NZ 2.77Å; E385-K414 PolarHBondContact OE2-NZ 2.74Å; F405-K414 CarbonylContact C-O 3.49Å; F405-K414 WeakPolarHBondContact CA-O 3.31Å; L406-K414 HydrophobicContact CB-CB 4.27Å; L406-K414 PolarHBondContact N-O 2.77Å; L406-K414 PolarHBondContact O-N 3.47Å; T408-K414 HydrophobicContact CG2-CD 4.43Å; T408-K414 HydrophobicContact CG2-CG 4.22Å; K414-V426 HydrophobicContact CB-CG1 4.04Å; K414-V426 HydrophobicContact CB-CG2 4.46Å; K414-V426 HydrophobicContact CD-CG1 4.4Å; K414-V426 HydrophobicContact CD-CG2 4.43Å; K414-E428 WeakPolarHBondContact CA-O 3.25Å; K414-T429 HydrophobicContact CG-CG2 3.99Å |
| 415 | K | 94.4 | Very high | 92.2 | Very high | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.009 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 126.6 | 170.7 | -52.9 | -173.9 | -169.8 | 168.9 | 0 | 108.8 | F405 V426 Y427 E428 R472 V473 | F405-K415 HydrophobicContact CD1-CD 4.37Å; F405-K415 HydrophobicContact CD1-CG 3.94Å; F405-K415 HydrophobicContact CE1-CD 3.72Å; F405-K415 HydrophobicContact CE1-CG 3.79Å; F405-K415 HydrophobicContact CZ-CD 4.33Å; K415-V426 CarbonylContact O-C 3.57Å; K415-V426 WeakPolarHBondContact O-CA 3.36Å; K415-Y427 HydrophobicContact CB-CD1 4.32Å; K415-Y427 HydrophobicContact CB-CD2 4.49Å; K415-Y427 HydrophobicContact CB-CE1 3.72Å; K415-Y427 HydrophobicContact CB-CE2 3.93Å; K415-Y427 HydrophobicContact CD-CE2 4.11Å; K415-Y427 WeakPolarHBondContact O-CD1 3.48Å; K415-Y427 PolarHBondContact O-N 3.33Å; K415-E428 HydrophobicContact CB-CB 4.22Å; K415-E428 HydrophobicContact CD-CB 4.21Å; K415-E428 VanDerWaalsContact CD-OE2 3.29Å; K415-E428 WeakPolarHBondContact CD-OE2 3.09Å; K415-E428 WeakPolarHBondContact CE-OE2 2.85Å; K415-E428 HydrophobicContact CG-CB 4.31Å; K415-E428 PolarHBondContact N-O 3.13Å; K415-E428 IonicContact NZ-OE2 3.56Å; K415-E428 PolarHBondContact NZ-OE2 2.88Å; K415-E428 PolarHBondContact O-N 3.08Å; K415-R472 PolarHBondContact NZ-O 3.45Å; K415-V473 PolarHBondContact NZ-O 2.96Å |
| 416 | A | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 138.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | V403 A404 L406 V425 V426 | V403-A416 CarbonylContact C-O 3.54Å; V403-A416 WeakPolarHBondContact CA-O 3.17Å; A404-A416 PolarHBondContact N-O 3.22Å; A404-A416 PolarHBondContact O-N 2.65Å; L406-A416 HydrophobicContact CD1-CB 4.34Å; A416-V425 CarbonylContact C-O 3.55Å; A416-V425 WeakPolarHBondContact CA-O 3.23Å; A416-V426 HydrophobicContact CB-CG2 4.05Å |
| 417 | V | 94.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 122 | 169.8 | 59.7 | 0 | 0 | 0 | 0 | 109.4 | Q419 A424 V425 P491 | V417-Q419 HydrophobicContact CG1-CG 4.35Å; V417-A424 CarbonylContact O-C 3.55Å; V417-A424 WeakPolarHBondContact O-CA 3.49Å; V417-V425 HydrophobicContact CG1-CB 4.13Å; V417-V425 PolarHBondContact N-O 2.85Å; V417-V425 PolarHBondContact O-N 3.48Å; V417-P491 HydrophobicContact CB-CG 3.64Å; V417-P491 HydrophobicContact CG2-CG 3.55Å |
| 418 | V | 94.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.012 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108.3 | 176.6 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | L272 L306 V308 T402 A404 S420 A424 | L272-V418 HydrophobicContact CD1-CG1 4.08Å; L272-V418 HydrophobicContact CD2-CG1 3.95Å; L306-V418 HydrophobicContact CD2-CG2 4.35Å; V308-V418 HydrophobicContact CG2-CG1 4.24Å; T402-V418 HydrophobicContact CG2-CB 4.2Å; T402-V418 HydrophobicContact CG2-CG2 4.46Å; T402-V418 PolarHBondContact O-N 3.06Å; A404-V418 HydrophobicContact CB-CG2 4.04Å; V418-S420 WeakPolarHBondContact CG1-O 3.28Å; V418-A424 HydrophobicContact CB-CB 4.31Å; V418-A424 HydrophobicContact CG1-CB 4.45Å; V418-A424 HydrophobicContact CG2-CB 4.01Å |
| 419 | Q | 87.6 | Confident | 91.5 | Very high | 81 Ų | 81 | 32.4 Ų | 32.4 | 38% | 0.379 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | -35 | -172.1 | -59.7 | -177.7 | -10.2 | 0 | 0 | 112.6 | V417 S423 | V417-Q419 HydrophobicContact CG1-CG 4.35Å; Q419-S423 PolarHBondContact N-O 2.84Å |
| 420 | S | 90.9 | Very high | 91.5 | Very high | 17 Ų | 17 | 29.5 Ų | 29.5 | 12% | 0.119 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 176.4 | 177.6 | 61.7 | 0 | 0 | 0 | 0 | 110.1 | N275 V418 N422 S423 | N275-S420 WeakPolarHBondContact OD1-CB 3.36Å; V418-S420 WeakPolarHBondContact CG1-O 3.28Å; S420-N422 PolarHBondContact O-N 3.38Å; S420-N422 VanDerWaalsContact O-N 3.1Å; S420-N422 PolarHBondContact OG-N 2.63Å; S420-N422 PolarHBondContact OG-OD1 3.37Å; S420-S423 PolarHBondContact N-O 3.29Å; S420-S423 VanDerWaalsContact N-O 3.14Å; S420-S423 PolarHBondContact O-N 2.62Å; S420-S423 VanDerWaalsContact OG-CB 3.22Å; S420-S423 WeakPolarHBondContact OG-CB 3.48Å; S420-S423 PolarHBondContact OG-N 3.19Å; S420-S423 VanDerWaalsContact OG-N 3.08Å |
| 421 | A | 87.9 | Confident | 91.5 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N275 F276 | N275-A421 WeakPolarHBondContact OD1-CB 3.45Å; N275-A421 PolarHBondContact OD1-N 2.82Å; F276-A421 HydrophobicContact CD1-CB 4.39Å; F276-A421 HydrophobicContact CE1-CB 3.63Å; F276-A421 HydrophobicContact CE2-CB 3.94Å; F276-A421 HydrophobicContact CZ-CB 3.35Å |
| 422 | N | 91 | Very high | 91.4 | Very high | 91 Ų | 91 | 32.4 Ų | 32.4 | 49% | 0.487 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | 18.9 | -172.9 | 66.7 | -14.5 | 0 | 0 | 0 | 113.7 | D380 S420 | D380-N422 HydrophobicContact CB-CB 4.1Å; S420-N422 PolarHBondContact O-N 3.38Å; S420-N422 VanDerWaalsContact O-N 3.1Å; S420-N422 PolarHBondContact OG-N 2.63Å; S420-N422 PolarHBondContact OG-OD1 3.37Å |
| 423 | S | 92.1 | Very high | 90.8 | Very high | 39 Ų | 39 | 28.9 Ų | 28.9 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 124.2 | 174.3 | -178.3 | 0 | 0 | 0 | 0 | 111.7 | A382 Q419 S420 | A382-S423 CarbonylContact O-C 3.38Å; Q419-S423 PolarHBondContact N-O 2.84Å; S420-S423 PolarHBondContact N-O 3.29Å; S420-S423 VanDerWaalsContact N-O 3.14Å; S420-S423 PolarHBondContact O-N 2.62Å; S420-S423 VanDerWaalsContact OG-CB 3.22Å; S420-S423 WeakPolarHBondContact OG-CB 3.48Å; S420-S423 PolarHBondContact OG-N 3.19Å; S420-S423 VanDerWaalsContact OG-N 3.08Å |
| 424 | A | 92.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 33.2 Ų | 33.2 | 8% | 0.083 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 142.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A382 L383 V417 V418 | A382-A424 HydrophobicContact CB-CB 4.06Å; A382-A424 PolarHBondContact O-N 3.27Å; L383-A424 HydrophobicContact CB-CB 4.3Å; V417-A424 CarbonylContact O-C 3.55Å; V417-A424 WeakPolarHBondContact O-CA 3.49Å; V418-A424 HydrophobicContact CB-CB 4.31Å; V418-A424 HydrophobicContact CG1-CB 4.45Å; V418-A424 HydrophobicContact CG2-CB 4.01Å |
| 425 | V | 92.2 | Very high | 89.2 | Confident | 50 Ų | 50 | 34.3 Ų | 34.3 | 30% | 0.303 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 119.5 | -175.2 | -179.9 | 0 | 0 | 0 | 0 | 109.6 | A416 V417 Y427 L489 | A416-V425 CarbonylContact C-O 3.55Å; A416-V425 WeakPolarHBondContact CA-O 3.23Å; V417-V425 HydrophobicContact CG1-CB 4.13Å; V417-V425 PolarHBondContact N-O 2.85Å; V417-V425 PolarHBondContact O-N 3.48Å; V425-Y427 PolarHBondContact O-N 3.2Å; V425-L489 HydrophobicContact CG1-CD1 4.34Å |
| 426 | V | 93 | Very high | 88.5 | Confident | 43 Ų | 43 | 35.2 Ų | 35.2 | 26% | 0.261 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 122.9 | 169.8 | 177.7 | 0 | 0 | 0 | 0 | 108.7 | L383 K414 K415 A416 | L383-V426 HydrophobicContact CD1-CG2 3.97Å; L383-V426 HydrophobicContact CD2-CG2 3.65Å; L383-V426 HydrophobicContact CG-CG2 4.48Å; K414-V426 HydrophobicContact CB-CG1 4.04Å; K414-V426 HydrophobicContact CB-CG2 4.46Å; K414-V426 HydrophobicContact CD-CG1 4.4Å; K414-V426 HydrophobicContact CD-CG2 4.43Å; K415-V426 CarbonylContact O-C 3.57Å; K415-V426 WeakPolarHBondContact O-CA 3.36Å; A416-V426 HydrophobicContact CB-CG2 4.05Å |
| 427 | Y | 91.5 | Very high | 88.2 | Confident | 32 Ų | 32 | 36.3 Ų | 36.3 | 13% | 0.125 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | -21.9 | -178.7 | 67.5 | -94.7 | 0 | 0 | 0 | 113.4 | V403 K415 V425 D490 P491 | V403-Y427 HydrophobicContact CG1-CE1 4.13Å; K415-Y427 HydrophobicContact CB-CD1 4.32Å; K415-Y427 HydrophobicContact CB-CD2 4.49Å; K415-Y427 HydrophobicContact CB-CE1 3.72Å; K415-Y427 HydrophobicContact CB-CE2 3.93Å; K415-Y427 HydrophobicContact CD-CE2 4.11Å; K415-Y427 WeakPolarHBondContact O-CD1 3.48Å; K415-Y427 PolarHBondContact O-N 3.33Å; V425-Y427 PolarHBondContact O-N 3.2Å; Y427-D490 HydrophobicContact CD2-CB 3.86Å; Y427-D490 HydrophobicContact CE2-CB 3.58Å; Y427-D490 VanDerWaalsContact CE2-CG 3.46Å; Y427-D490 PolarHBondContact OH-OD1 3.44Å; Y427-P491 HydrophobicContact CE1-CG 4.48Å |
| 428 | E | 89.7 | Confident | 88 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.5 | 176.2 | -165.6 | 174 | -151.9 | 0 | 0 | 110.8 | K414 K415 V430 R478 | K414-E428 WeakPolarHBondContact CA-O 3.25Å; K415-E428 HydrophobicContact CB-CB 4.22Å; K415-E428 HydrophobicContact CD-CB 4.21Å; K415-E428 VanDerWaalsContact CD-OE2 3.29Å; K415-E428 WeakPolarHBondContact CD-OE2 3.09Å; K415-E428 WeakPolarHBondContact CE-OE2 2.85Å; K415-E428 HydrophobicContact CG-CB 4.31Å; K415-E428 PolarHBondContact N-O 3.13Å; K415-E428 IonicContact NZ-OE2 3.56Å; K415-E428 PolarHBondContact NZ-OE2 2.88Å; K415-E428 PolarHBondContact O-N 3.08Å; E428-V430 HydrophobicContact CG-CG2 4.48Å; E428-R478 IonicContact OE1-NH1 3.01Å |
| 429 | T | 91.2 | Very high | 87.8 | Confident | 65 Ų | 65 | 37.4 Ų | 37.4 | 40% | 0.399 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 111.8 | 172.4 | -63.9 | 0 | 0 | 0 | 0 | 109.8 | R412 K414 | R412-T429 HydrophobicContact CB-CG2 3.99Å; R412-T429 HydrophobicContact CG-CG2 4.4Å; K414-T429 HydrophobicContact CG-CG2 3.99Å |
| 430 | V | 88.8 | Confident | 87.8 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 136.4 | -178.9 | 173.1 | 0 | 0 | 0 | 0 | 109.4 | E8 R412 L413 E428 I432 M471 | E8-V430 HydrophobicContact CB-CG1 4.12Å; E8-V430 WeakPolarHBondContact OE2-CG1 3.27Å; R412-V430 CarbonylContact C-O 3.56Å; R412-V430 WeakPolarHBondContact CA-O 3.08Å; R412-V430 WeakPolarHBondContact CB-O 3.46Å; L413-V430 PolarHBondContact N-O 3.32Å; L413-V430 PolarHBondContact O-N 3.18Å; E428-V430 HydrophobicContact CG-CG2 4.48Å; V430-I432 HydrophobicContact CG1-CG1 4.45Å; V430-M471 HydrophobicContact CG1-SD 3.81Å |
| 431 | L | 88.6 | Confident | 87.7 | Confident | 77 Ų | 77 | 38.3 Ų | 38.3 | 40% | 0.403 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 118 | 174.1 | 179.5 | 61.9 | 0 | 0 | 0 | 109.6 | R412 P434 | R412-L431 HydrophobicContact CG-CD1 3.7Å; L431-P434 HydrophobicContact CD1-CG 4.25Å; L431-P434 HydrophobicContact CD2-CG 4.15Å; L431-P434 HydrophobicContact CG-CG 4.31Å |
| 432 | I | 85.5 | Confident | 87.9 | Confident | 12 Ų | 12 | 37.8 Ų | 37.8 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | trans | -95.3 | -55.3 | -177.5 | -61.5 | 166.5 | 0 | 0 | 0 | 110.9 | G411 L413 V430 V438 A453 T455 I467 A469 M471 | G411-I432 PolarHBondContact O-N 3.35Å; L413-I432 HydrophobicContact CB-CD1 3.66Å; L413-I432 HydrophobicContact CB-CG1 4.41Å; L413-I432 HydrophobicContact CD2-CD1 4.45Å; V430-I432 HydrophobicContact CG1-CG1 4.45Å; I432-V438 HydrophobicContact CD1-CG2 4.16Å; I432-A453 HydrophobicContact CD1-CB 3.71Å; I432-T455 HydrophobicContact CG2-CG2 3.89Å; I432-I467 HydrophobicContact CG2-CD1 3.89Å; I432-A469 HydrophobicContact CG2-CB 3.89Å; I432-M471 HydrophobicContact CD1-CE 3.77Å; I432-M471 HydrophobicContact CD1-SD 3.97Å; I432-M471 HydrophobicContact CG1-CE 4.18Å; I432-M471 HydrophobicContact CG1-SD 3.81Å | ||
| 433 | D | 79.4 | Confident | 88 | Confident | 23 Ų | 23 | 35.5 Ų | 35.5 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -153 | 98 | -170.2 | -168 | -1.4 | 0 | 0 | 0 | 110.3 | G411 G435 R436 T455 I467 | G411-D433 WeakPolarHBondContact CA-O 2.99Å; G411-D433 PolarHBondContact O-N 3.27Å; G411-D433 VanDerWaalsContact O-N 3.16Å; D433-G435 PolarHBondContact O-N 2.88Å; D433-G435 VanDerWaalsContact O-N 3.14Å; D433-R436 HydrophobicContact CB-CB 3.98Å; D433-R436 HydrophobicContact CB-CG 4.38Å; D433-R436 VanDerWaalsContact CG-CG 3.48Å; D433-R436 PolarHBondContact O-N 3.3Å; D433-R436 WeakPolarHBondContact OD1-CG 3.45Å; D433-R436 WeakPolarHBondContact OD2-CB 3.48Å; D433-R436 WeakPolarHBondContact OD2-CG 3.42Å; D433-T455 HydrophobicContact CB-CG2 3.69Å; D433-T455 WeakPolarHBondContact OD2-CB 2.93Å; D433-T455 PolarHBondContact OD2-OG1 3.2Å; D433-I467 HydrophobicContact CB-CD1 4.1Å; D433-I467 HydrophobicContact CB-CG1 4.36Å |
| 434 | P | 79.9 | Confident | 88.1 | Confident | 93 Ų | 93 | 33.6 Ų | 33.6 | 60% | 0.604 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 118.8 | -166.8 | -25.1 | 33.2 | 0 | 0 | 0 | 114.1 | L431 R436 | L431-P434 HydrophobicContact CD1-CG 4.25Å; L431-P434 HydrophobicContact CD2-CG 4.15Å; L431-P434 HydrophobicContact CG-CG 4.31Å; P434-R436 VanDerWaalsContact C-N 3.33Å |
| 435 | G | 73.4 | Confident | 88 | Confident | 48 Ų | 48 | 34 Ų | 34 | 50% | 0.495 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.7 | 14.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | D410 D433 | D410-G435 PolarHBondContact O-N 3.43Å; D433-G435 PolarHBondContact O-N 2.88Å; D433-G435 VanDerWaalsContact O-N 3.14Å |
| 436 | R | 80.6 | Confident | 87.8 | Confident | 21 Ų | 21 | 36.6 Ų | 36.6 | 8% | 0.079 | 21% | 0.206 | C | C | . | . | trans | -116.8 | 112.9 | 177.1 | -56.3 | -57.1 | 171 | 101.8 | -5 | 110.9 | G411 D433 P434 V438 D461 T464 | G411-R436 WeakPolarHBondContact CA-O 3.16Å; G411-R436 PolarHBondContact N-O 3.32Å; D433-R436 HydrophobicContact CB-CB 3.98Å; D433-R436 HydrophobicContact CB-CG 4.38Å; D433-R436 VanDerWaalsContact CG-CG 3.48Å; D433-R436 PolarHBondContact O-N 3.3Å; D433-R436 WeakPolarHBondContact OD1-CG 3.45Å; D433-R436 WeakPolarHBondContact OD2-CB 3.48Å; D433-R436 WeakPolarHBondContact OD2-CG 3.42Å; P434-R436 VanDerWaalsContact C-N 3.33Å; R436-V438 PolarHBondContact O-N 3.33Å; R436-D461 IonicContact NH2-OD2 2.73Å; R436-D461 PolarHBondContact NH2-OD2 3.02Å; R436-D461 VanDerWaalsContact NH2-OD2 3.11Å; R436-T464 VanDerWaalsContact CZ-OG1 3.24Å; R436-T464 PolarHBondContact NH1-OG1 3.39Å; R436-T464 PolarHBondContact NH2-OG1 2.97Å | ||
| 437 | S | 87.5 | Confident | 87.6 | Confident | 23 Ų | 23 | 38.5 Ų | 38.5 | 16% | 0.161 | 22% | 0.219 | C | C | . | . | P | Polyproline II helix | trans | -49.3 | 129.3 | -178.3 | -175.9 | 0 | 0 | 0 | 0 | 112.6 | H409 L439 T455 E456 | H409-S437 VanDerWaalsContact O-CA 3.22Å; H409-S437 WeakPolarHBondContact O-CA 3.11Å; H409-S437 PolarHBondContact O-N 3.02Å; S437-L439 PolarHBondContact O-N 3.41Å; S437-T455 WeakPolarHBondContact O-CA 3.13Å; S437-E456 PolarHBondContact O-N 3.44Å |
| 438 | V | 90.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -73.4 | 118.5 | 169.6 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | T391 A392 T408 R412 I432 R436 V442 A453 | T391-V438 WeakPolarHBondContact CB-O 3.4Å; T391-V438 PolarHBondContact OG1-O 2.93Å; A392-V438 HydrophobicContact CB-CG1 4.29Å; T408-V438 PolarHBondContact O-N 3.08Å; R412-V438 WeakPolarHBondContact O-CG2 3.45Å; I432-V438 HydrophobicContact CD1-CG2 4.16Å; R436-V438 PolarHBondContact O-N 3.33Å; V438-V442 HydrophobicContact CG1-CG2 4.01Å; V438-A453 HydrophobicContact CG1-CB 4.23Å |
| 439 | L | 89.4 | Confident | 87.4 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -71.8 | 152.8 | -178 | -66.9 | 175.3 | 0 | 0 | 0 | 111.4 | A392 S437 F441 M454 E456 | A392-L439 WeakPolarHBondContact CB-O 3.32Å; S437-L439 PolarHBondContact O-N 3.41Å; L439-F441 PolarHBondContact O-N 2.91Å; L439-M454 HydrophobicContact CB-CE 4.14Å; L439-M454 HydrophobicContact CD1-CE 3.76Å; L439-M454 HydrophobicContact CD1-CG 4.2Å; L439-M454 HydrophobicContact CD1-SD 4.45Å; L439-M454 PolarHBondContact N-O 3.39Å; L439-E456 HydrophobicContact CD2-CB 4.12Å; L439-E456 HydrophobicContact CD2-CG 4.3Å; L439-E456 HydrophobicContact CG-CB 4.42Å |
| 440 | P | 88.4 | Confident | 87.4 | Confident | 55 Ų | 55 | 40.2 Ų | 40.2 | 36% | 0.357 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -58.3 | -14.4 | -172.3 | -27.1 | 34.6 | 0 | 0 | 0 | 116.7 | A262 V442 | A262-P440 HydrophobicContact CB-CB 4.31Å; P440-V442 VanDerWaalsContact C-N 3.25Å; P440-V442 PolarHBondContact O-N 3.24Å |
| 441 | F | 88.4 | Confident | 87.6 | Confident | 62 Ų | 62 | 40.2 Ų | 40.2 | 27% | 0.272 | 23% | 0.225 | S | C | . | . | trans | -85.7 | 48.8 | -171.2 | -54.3 | -76.9 | 0 | 0 | 0 | 113.5 | Q22 R23 L24 L439 M454 | Q22-F441 WeakPolarHBondContact O-CD2 3.44Å; Q22-F441 WeakPolarHBondContact O-CE2 3.49Å; R23-F441 HydrophobicContact CG-CD2 4.4Å; R23-F441 HydrophobicContact CG-CE1 4.01Å; R23-F441 HydrophobicContact CG-CE2 3.89Å; R23-F441 HydrophobicContact CG-CZ 3.69Å; L24-F441 HydrophobicContact CB-CB 4.02Å; L439-F441 PolarHBondContact O-N 2.91Å; F441-M454 HydrophobicContact CB-CE 4.29Å; F441-M454 HydrophobicContact CD2-CE 4.02Å | ||
| 442 | V | 92.3 | Very high | 87.9 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -74.8 | 126.2 | 172.9 | 178.4 | 0 | 0 | 0 | 0 | 109 | A392 A394 V438 P440 V451 Y452 A453 | A392-V442 HydrophobicContact CB-CG2 3.66Å; A394-V442 HydrophobicContact CB-CB 3.98Å; A394-V442 HydrophobicContact CB-CG1 3.7Å; V438-V442 HydrophobicContact CG1-CG2 4.01Å; P440-V442 VanDerWaalsContact C-N 3.25Å; P440-V442 PolarHBondContact O-N 3.24Å; V442-V451 HydrophobicContact CG1-CG2 3.4Å; V442-V451 VanDerWaalsContact CG1-CG2 3.4Å; V442-Y452 WeakPolarHBondContact CA-O 3.39Å; V442-A453 HydrophobicContact CG2-CB 4.31Å | ||
| 443 | Q | 92.8 | Very high | 88.2 | Confident | 42 Ų | 42 | 36 Ų | 36 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 141.1 | -171.1 | -70.5 | -68.7 | -18.1 | 0 | 0 | 111.7 | L24 V26 V451 Y452 | L24-Q443 HydrophobicContact CD2-CB 3.74Å; L24-Q443 HydrophobicContact CD2-CG 3.67Å; V26-Q443 HydrophobicContact CG2-CB 3.66Å; V26-Q443 HydrophobicContact CG2-CG 4.35Å; Q443-V451 WeakPolarHBondContact O-CA 3.41Å; Q443-Y452 PolarHBondContact N-O 3Å; Q443-Y452 VanDerWaalsContact N-O 3.07Å; Q443-Y452 WeakPolarHBondContact O-CD2 3.41Å; Q443-Y452 PolarHBondContact O-N 3.42Å |
| 444 | F | 93.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 156 | 170.6 | -62.1 | -81 | 0 | 0 | 0 | 111.8 | R28 A394 T395 T396 F405 N448 F450 V451 V473 | R28-F444 PolarHBondContact NE-O 3.46Å; R28-F444 VanDerWaalsContact NE-O 3.09Å; A394-F444 HydrophobicContact CB-CE2 3.81Å; A394-F444 HydrophobicContact CB-CZ 4.28Å; T395-F444 VanDerWaalsContact O-CE2 3.31Å; T395-F444 WeakPolarHBondContact O-CE2 2.95Å; T396-F444 HydrophobicContact CG2-CE1 3.68Å; T396-F444 HydrophobicContact CG2-CE2 4.24Å; T396-F444 HydrophobicContact CG2-CZ 3.5Å; F405-F444 AromaticContact CD2-CE1 3.82Å; F405-F444 HydrophobicContact CD2-CE1 3.82Å; F405-F444 AromaticContact CD2-CZ 3.54Å; F405-F444 HydrophobicContact CD2-CZ 3.54Å; F405-F444 AromaticContact CE2-CE1 3.72Å; F405-F444 HydrophobicContact CE2-CE1 3.72Å; F405-F444 AromaticContact CE2-CZ 3.81Å; F405-F444 HydrophobicContact CE2-CZ 3.81Å; F405-F444 HydrophobicContact CG-CE1 4.48Å; F405-F444 HydrophobicContact CG-CZ 4.31Å; F405-F444 HydrophobicContact CZ-CE1 4.29Å; F444-N448 WeakPolarHBondContact CB-OD1 3.35Å; F444-F450 WeakPolarHBondContact CA-O 3.37Å; F444-V451 HydrophobicContact CD1-CB 4.19Å; F444-V451 HydrophobicContact CD1-CG2 4.44Å; F444-V451 HydrophobicContact CE1-CB 4.23Å; F444-V451 HydrophobicContact CE1-CG2 4.32Å; F444-V473 HydrophobicContact CD1-CG1 4.15Å; F444-V473 HydrophobicContact CE1-CG1 4.02Å |
| 445 | D | 91.9 | Very high | 89.1 | Confident | 17 Ų | 17 | 30.5 Ų | 30.5 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | trans | -72.4 | -175.6 | 168.6 | 86.8 | -62.4 | 0 | 0 | 0 | 112.5 | T447 N448 M449 F450 Y452 | D445-T447 VanDerWaalsContact C-N 3.27Å; D445-T447 PolarHBondContact O-N 2.66Å; D445-T447 PolarHBondContact OD1-OG1 2.97Å; D445-T447 PolarHBondContact OD2-N 2.93Å; D445-T447 PolarHBondContact OD2-OG1 3.19Å; D445-N448 PolarHBondContact O-N 3.46Å; D445-N448 WeakPolarHBondContact OD1-CA 3.5Å; D445-N448 PolarHBondContact OD1-N 2.93Å; D445-M449 PolarHBondContact OD1-N 3.02Å; D445-F450 HydrophobicContact CB-CB 4.06Å; D445-F450 PolarHBondContact N-O 2.73Å; D445-F450 PolarHBondContact OD1-N 3.11Å; D445-Y452 HydrophobicContact CB-CE2 3.79Å | ||
| 446 | K | 88.6 | Confident | 89 | Confident | 105 Ų | 105 | 32.8 Ų | 32.8 | 46% | 0.457 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -32.8 | 178.5 | 176.7 | 161.3 | -162.4 | 179 | 0 | 113.2 | R28 L29 Y30 | R28-K446 WeakPolarHBondContact O-CD 3.36Å; R28-K446 VanDerWaalsContact O-CE 3.32Å; R28-K446 WeakPolarHBondContact O-CE 3.46Å; R28-K446 WeakPolarHBondContact O-CG 3.36Å; L29-K446 WeakPolarHBondContact O-CE 3.37Å; L29-K446 PolarHBondContact O-NZ 3.48Å; Y30-K446 PolarHBondContact O-NZ 2.82Å |
| 447 | T | 87.8 | Confident | 88 | Confident | 84 Ų | 84 | 34.2 Ų | 34.2 | 52% | 0.515 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | -5.6 | -176.4 | 59.1 | 0 | 0 | 0 | 0 | 114.3 | D445 M449 | D445-T447 VanDerWaalsContact C-N 3.27Å; D445-T447 PolarHBondContact O-N 2.66Å; D445-T447 PolarHBondContact OD1-OG1 2.97Å; D445-T447 PolarHBondContact OD2-N 2.93Å; D445-T447 PolarHBondContact OD2-OG1 3.19Å; T447-M449 PolarHBondContact O-N 3.17Å; T447-M449 WeakPolarHBondContact OG1-CB 3.41Å; T447-M449 WeakPolarHBondContact OG1-CG 3.41Å |
| 448 | N | 88.2 | Confident | 86.1 | Confident | 60 Ų | 60 | 35.7 Ų | 35.7 | 32% | 0.321 | 18% | 0.18 | S | C | . | . | S | Bend | trans | 57.1 | 21 | -167.5 | -51.6 | -51.6 | 0 | 0 | 0 | 114.5 | F444 D445 | F444-N448 WeakPolarHBondContact CB-OD1 3.35Å; D445-N448 PolarHBondContact O-N 3.46Å; D445-N448 WeakPolarHBondContact OD1-CA 3.5Å; D445-N448 PolarHBondContact OD1-N 2.93Å |
| 449 | M | 88.9 | Confident | 83.7 | Confident | 55 Ų | 55 | 39.1 Ų | 39.1 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -93.6 | -15.1 | 176 | -60.9 | -57.7 | -61.1 | 0 | 0 | 112.5 | D445 T447 V473 E474 | D445-M449 PolarHBondContact OD1-N 3.02Å; T447-M449 PolarHBondContact O-N 3.17Å; T447-M449 WeakPolarHBondContact OG1-CB 3.41Å; T447-M449 WeakPolarHBondContact OG1-CG 3.41Å; M449-V473 WeakPolarHBondContact O-CG2 3.3Å; M449-V473 PolarHBondContact O-N 3.1Å; M449-E474 VanDerWaalsContact CE-CD 3.43Å; M449-E474 WeakPolarHBondContact CE-OE1 3.36Å |
| 450 | F | 91.6 | Very high | 81.4 | Confident | 40 Ų | 40 | 39.9 Ų | 39.9 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 148.3 | 176 | -58 | -77.9 | 0 | 0 | 0 | 111.3 | Q10 F444 D445 K470 M471 R472 | Q10-F450 VanDerWaalsContact CD-CE1 3.5Å; F444-F450 WeakPolarHBondContact CA-O 3.37Å; D445-F450 HydrophobicContact CB-CB 4.06Å; D445-F450 PolarHBondContact N-O 2.73Å; D445-F450 PolarHBondContact OD1-N 3.11Å; F450-K470 HydrophobicContact CB-CG 4.31Å; F450-K470 HydrophobicContact CD1-CG 4.31Å; F450-K470 HydrophobicContact CG-CG 4.49Å; F450-M471 CarbonylContact C-O 3.03Å; F450-M471 VanDerWaalsContact CA-O 3.27Å; F450-M471 WeakPolarHBondContact CA-O 3.47Å; F450-R472 HydrophobicContact CD1-CB 4.16Å; F450-R472 HydrophobicContact CD1-CG 4.19Å; F450-R472 HydrophobicContact CE1-CB 4.02Å; F450-R472 HydrophobicContact CE1-CG 3.76Å |
| 451 | V | 93 | Very high | 79.1 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.006 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.2 | 174.6 | 63.5 | 0 | 0 | 0 | 0 | 109.6 | F405 L413 V442 Q443 F444 M471 V473 | F405-V451 HydrophobicContact CD1-CG1 4.07Å; F405-V451 HydrophobicContact CE1-CG1 4.13Å; L413-V451 HydrophobicContact CD2-CG1 4.18Å; V442-V451 HydrophobicContact CG1-CG2 3.4Å; V442-V451 VanDerWaalsContact CG1-CG2 3.4Å; Q443-V451 WeakPolarHBondContact O-CA 3.41Å; F444-V451 HydrophobicContact CD1-CB 4.19Å; F444-V451 HydrophobicContact CD1-CG2 4.44Å; F444-V451 HydrophobicContact CE1-CB 4.23Å; F444-V451 HydrophobicContact CE1-CG2 4.32Å; V451-M471 HydrophobicContact CG1-CB 4.08Å; V451-M471 HydrophobicContact CG1-CE 4.43Å; V451-M471 PolarHBondContact N-O 3.39Å; V451-M471 PolarHBondContact O-N 2.83Å; V451-V473 HydrophobicContact CB-CG1 4.44Å |
| 452 | Y | 94.3 | Very high | 76.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 131.3 | 174.9 | -55.9 | -78.6 | 0 | 0 | 0 | 109.6 | V26 V34 P47 L49 V442 Q443 D445 A469 K470 | V26-Y452 HydrophobicContact CG1-CE2 4.33Å; V26-Y452 HydrophobicContact CG2-CD2 3.78Å; V26-Y452 HydrophobicContact CG2-CE2 4.1Å; V34-Y452 HydrophobicContact CG2-CD1 4.28Å; V34-Y452 HydrophobicContact CG2-CD2 4.3Å; V34-Y452 HydrophobicContact CG2-CE1 3.87Å; V34-Y452 HydrophobicContact CG2-CE2 3.89Å; V34-Y452 HydrophobicContact CG2-CG 4.47Å; P47-Y452 PolarHBondContact O-OH 3.3Å; L49-Y452 HydrophobicContact CD1-CD1 4.28Å; L49-Y452 HydrophobicContact CD1-CE1 4.5Å; L49-Y452 HydrophobicContact CD2-CD1 3.81Å; L49-Y452 HydrophobicContact CD2-CE1 3.79Å; L49-Y452 HydrophobicContact CG-CD1 4.25Å; L49-Y452 HydrophobicContact CG-CE1 4.07Å; V442-Y452 WeakPolarHBondContact CA-O 3.39Å; Q443-Y452 PolarHBondContact N-O 3Å; Q443-Y452 VanDerWaalsContact N-O 3.07Å; Q443-Y452 WeakPolarHBondContact O-CD2 3.41Å; Q443-Y452 PolarHBondContact O-N 3.42Å; D445-Y452 HydrophobicContact CB-CE2 3.79Å; Y452-A469 WeakPolarHBondContact CA-O 3.28Å; Y452-K470 HydrophobicContact CD1-CB 3.96Å; Y452-K470 HydrophobicContact CD1-CG 4.26Å; Y452-K470 HydrophobicContact CE1-CB 3.85Å; Y452-K470 HydrophobicContact CE1-CD 3.93Å; Y452-K470 HydrophobicContact CE1-CG 3.78Å |
| 453 | A | 92 | Very high | 74.4 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 152.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | I432 V438 V442 V468 A469 M471 | I432-A453 HydrophobicContact CD1-CB 3.71Å; V438-A453 HydrophobicContact CG1-CB 4.23Å; V442-A453 HydrophobicContact CG2-CB 4.31Å; A453-V468 CarbonylContact O-C 3.53Å; A453-V468 WeakPolarHBondContact O-CA 3.42Å; A453-A469 PolarHBondContact N-O 2.87Å; A453-A469 PolarHBondContact O-N 3.29Å; A453-M471 HydrophobicContact CB-CE 3.62Å |
| 454 | M | 90.9 | Very high | 72 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 143.2 | -173.3 | -180 | 176.9 | 58.7 | 0 | 0 | 110.1 | L21 L24 V36 L439 F441 I467 V468 | L21-M454 HydrophobicContact CB-CG 4.29Å; L21-M454 HydrophobicContact CB-SD 3.7Å; L21-M454 HydrophobicContact CD1-CG 4.22Å; L21-M454 HydrophobicContact CD1-SD 4.16Å; L24-M454 HydrophobicContact CB-CE 4.09Å; L24-M454 HydrophobicContact CB-SD 4.31Å; L24-M454 HydrophobicContact CD1-CB 4.36Å; V36-M454 HydrophobicContact CG1-SD 3.98Å; L439-M454 HydrophobicContact CB-CE 4.14Å; L439-M454 HydrophobicContact CD1-CE 3.76Å; L439-M454 HydrophobicContact CD1-CG 4.2Å; L439-M454 HydrophobicContact CD1-SD 4.45Å; L439-M454 PolarHBondContact N-O 3.39Å; F441-M454 HydrophobicContact CB-CE 4.29Å; F441-M454 HydrophobicContact CD2-CE 4.02Å; M454-I467 WeakPolarHBondContact CA-O 3.45Å; M454-V468 HydrophobicContact CB-CG2 4.19Å; M454-V468 HydrophobicContact CG-CG2 3.97Å; M454-V468 HydrophobicContact SD-CG2 4.31Å |
| 455 | T | 87.5 | Confident | 69.7 | Low | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.294 | C | S | . | . | B | Isolated β-bridge | trans | -120.3 | 152.4 | -171.7 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | I432 D433 S437 I467 | I432-T455 HydrophobicContact CG2-CG2 3.89Å; D433-T455 HydrophobicContact CB-CG2 3.69Å; D433-T455 WeakPolarHBondContact OD2-CB 2.93Å; D433-T455 PolarHBondContact OD2-OG1 3.2Å; S437-T455 WeakPolarHBondContact O-CA 3.13Å; T455-I467 HydrophobicContact CG2-CG1 4.36Å; T455-I467 PolarHBondContact N-O 3.21Å; T455-I467 WeakPolarHBondContact OG1-CG1 3.32Å |
| 456 | E | 71.5 | Confident | 68.5 | Low | 96 Ų | 96 | 54.7 Ų | 54.7 | 45% | 0.449 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 156.2 | -177.4 | -157.7 | -177.2 | 170.3 | 0 | 0 | 113.5 | S437 L439 | S437-E456 PolarHBondContact O-N 3.44Å; L439-E456 HydrophobicContact CD2-CB 4.12Å; L439-E456 HydrophobicContact CD2-CG 4.3Å; L439-E456 HydrophobicContact CG-CB 4.42Å |
| 457 | R | 59.8 | Low | 68.3 | Low | 51 Ų | 51 | 50.6 Ų | 50.6 | 19% | 0.192 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -93.3 | 118.6 | 167.6 | 176.1 | 178.4 | -171 | 170.2 | 11.8 | 110.5 | D18 V459 D461 R466 | D18-R457 PolarHBondContact O-NH1 3.09Å; D18-R457 IonicContact OD1-CZ 3.73Å; D18-R457 IonicContact OD1-NH1 2.64Å; D18-R457 PolarHBondContact OD1-NH1 3.3Å; D18-R457 IonicContact OD1-NH2 2.62Å; R457-V459 PolarHBondContact O-N 3.05Å; R457-D461 PolarHBondContact NH2-O 3.45Å; R457-D461 VanDerWaalsContact NH2-O 3.1Å; R457-R466 HydrophobicContact CB-CG 4.04Å; R457-R466 VanDerWaalsContact CB-NE 3.25Å |
| 458 | V | 47.5 | Very low | 68.4 | Low | 55 Ų | 55 | 46.6 Ų | 46.6 | 33% | 0.333 | 25% | 0.25 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 122.5 | 159.8 | 177.4 | 0 | 0 | 0 | 0 | 108.1 | G460 | V458-G460 PolarHBondContact O-N 3.31Š|
| 459 | V | 38.4 | Very low | 68.5 | Low | 71 Ų | 71 | 43.7 Ų | 43.7 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 126.8 | 174.9 | 178.5 | 0 | 0 | 0 | 0 | 108.1 | R457 L1083 R1086 | R457-V459 PolarHBondContact O-N 3.05Å; V459-L1083 HydrophobicContact CG1-CD1 3.99Å; V459-R1086 VanDerWaalsContact CG2-NH1 3.28Å |
| 460 | G | 42.9 | Very low | 68.7 | Low | 41 Ų | 41 | 41.6 Ų | 41.6 | 42% | 0.423 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 126.7 | -28.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | V458 P1079 | V458-G460 PolarHBondContact O-N 3.31Å; G460-P1079 WeakPolarHBondContact CA-O 3.34Å |
| 461 | D | 40.2 | Very low | 68.6 | Low | 44 Ų | 44 | 39.8 Ų | 39.8 | 24% | 0.235 | 22% | 0.216 | C | C | . | . | trans | -90.5 | 121.5 | 174.7 | -166.5 | -7.7 | 0 | 0 | 0 | 111.1 | R436 R457 F463 T464 | R436-D461 IonicContact NH2-OD2 2.73Å; R436-D461 PolarHBondContact NH2-OD2 3.02Å; R436-D461 VanDerWaalsContact NH2-OD2 3.11Å; R457-D461 PolarHBondContact NH2-O 3.45Å; R457-D461 VanDerWaalsContact NH2-O 3.1Å; D461-F463 PolarHBondContact OD1-N 2.88Å; D461-T464 VanDerWaalsContact OD2-CG2 3.25Å; D461-T464 WeakPolarHBondContact OD2-CG2 3.12Å; D461-T464 PolarHBondContact OD2-OG1 3.17Å | ||
| 462 | M | 39.9 | Very low | 68.5 | Low | 147 Ų | 147 | 44.1 Ų | 44.1 | 72% | 0.724 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -88.6 | -10.8 | -175.7 | -158.3 | 169.7 | 89.3 | 0 | 0 | 113.2 | ||
| 463 | F | 41.2 | Very low | 68.2 | Low | 182 Ų | 182 | 44 Ų | 44 | 80% | 0.798 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -114.2 | -6.9 | -169 | -80.7 | -84.9 | 0 | 0 | 0 | 115.9 | D461 | D461-F463 PolarHBondContact OD1-N 2.88Š|
| 464 | T | 41.7 | Very low | 68 | Low | 49 Ų | 49 | 44.3 Ų | 44.3 | 30% | 0.301 | 23% | 0.233 | S | C | . | . | trans | -102 | 105.6 | 179.5 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | R436 D461 | R436-T464 VanDerWaalsContact CZ-OG1 3.24Å; R436-T464 PolarHBondContact NH1-OG1 3.39Å; R436-T464 PolarHBondContact NH2-OG1 2.97Å; D461-T464 VanDerWaalsContact OD2-CG2 3.25Å; D461-T464 WeakPolarHBondContact OD2-CG2 3.12Å; D461-T464 PolarHBondContact OD2-OG1 3.17Å | ||
| 465 | A | 45.8 | Very low | 67.7 | Low | 55 Ų | 55 | 44.5 Ų | 44.5 | 46% | 0.455 | 24% | 0.235 | S | C | . | . | trans | -83.4 | 141.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | T14 | T14-A465 HydrophobicContact CG2-CB 3.31Š| ||
| 466 | R | 67.7 | Low | 67.8 | Low | 12 Ų | 12 | 44.8 Ų | 44.8 | 5% | 0.045 | 24% | 0.236 | C | C | . | . | trans | -66 | 145.5 | -176 | -59.6 | 176.5 | -169.9 | 83.5 | -7.8 | 111.8 | T14 N15 T17 D18 Y19 P20 L21 R457 | T14-R466 WeakPolarHBondContact CA-O 3.28Å; N15-R466 HydrophobicContact CB-CB 4.02Å; N15-R466 PolarHBondContact N-O 3.39Å; T17-R466 PolarHBondContact O-NH1 2.81Å; D18-R466 VanDerWaalsContact O-CZ 3.29Å; D18-R466 PolarHBondContact O-NH1 3.1Å; D18-R466 PolarHBondContact O-NH2 2.84Å; Y19-R466 VanDerWaalsContact C-NH1 3.34Å; Y19-R466 PolarHBondContact O-NH1 3.48Å; P20-R466 VanDerWaalsContact CA-NE 3.34Å; P20-R466 VanDerWaalsContact CA-NH2 3.28Å; L21-R466 HydrophobicContact CD1-CB 4.05Å; L21-R466 HydrophobicContact CG-CB 4.17Å; L21-R466 VanDerWaalsContact N-CD 3.33Å; R457-R466 HydrophobicContact CB-CG 4.04Å; R457-R466 VanDerWaalsContact CB-NE 3.25Å | ||
| 467 | I | 83.1 | Confident | 68.5 | Low | 18 Ų | 18 | 46.1 Ų | 46.1 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 147.6 | -178.6 | 62.9 | 168.7 | 0 | 0 | 0 | 114.2 | I12 F13 I432 D433 M454 T455 | I12-I467 HydrophobicContact CD1-CD1 4.32Å; I12-I467 HydrophobicContact CG2-CB 3.74Å; I12-I467 HydrophobicContact CG2-CG2 3.42Å; I12-I467 VanDerWaalsContact CG2-CG2 3.42Å; F13-I467 CarbonylContact O-C 3.46Å; F13-I467 WeakPolarHBondContact O-CA 3.36Å; I432-I467 HydrophobicContact CG2-CD1 3.89Å; D433-I467 HydrophobicContact CB-CD1 4.1Å; D433-I467 HydrophobicContact CB-CG1 4.36Å; M454-I467 WeakPolarHBondContact CA-O 3.45Å; T455-I467 HydrophobicContact CG2-CG1 4.36Å; T455-I467 PolarHBondContact N-O 3.21Å; T455-I467 WeakPolarHBondContact OG1-CG1 3.32Å |
| 468 | V | 89.9 | Confident | 69.6 | Low | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.4 | 155.5 | 178.1 | 0 | 0 | 0 | 0 | 106.8 | I12 F13 L21 L24 V36 L49 A453 M454 | I12-V468 CarbonylContact C-O 3.56Å; I12-V468 WeakPolarHBondContact CA-O 3.47Å; F13-V468 HydrophobicContact CB-CB 4.41Å; F13-V468 HydrophobicContact CD1-CB 4.48Å; F13-V468 HydrophobicContact CD1-CG2 4.35Å; F13-V468 PolarHBondContact N-O 2.68Å; F13-V468 PolarHBondContact O-N 3.08Å; L21-V468 HydrophobicContact CD1-CG2 4.01Å; L24-V468 HydrophobicContact CD1-CG1 3.52Å; L24-V468 HydrophobicContact CD1-CG2 4.14Å; V36-V468 HydrophobicContact CG1-CG2 4.13Å; V36-V468 HydrophobicContact CG2-CG2 4.16Å; L49-V468 HydrophobicContact CD1-CB 4.5Å; L49-V468 HydrophobicContact CD1-CG1 4.03Å; L49-V468 WeakPolarHBondContact CD1-O 3.17Å; L49-V468 HydrophobicContact CD2-CG1 3.99Å; A453-V468 CarbonylContact O-C 3.53Å; A453-V468 WeakPolarHBondContact O-CA 3.42Å; M454-V468 HydrophobicContact CB-CG2 4.19Å; M454-V468 HydrophobicContact CG-CG2 3.97Å; M454-V468 HydrophobicContact SD-CG2 4.31Å |
| 469 | A | 90.6 | Very high | 71.5 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 130.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | I9 R11 I432 Y452 A453 M471 | I9-A469 HydrophobicContact CG2-CB 3.86Å; R11-A469 WeakPolarHBondContact O-CA 3.44Å; I432-A469 HydrophobicContact CG2-CB 3.89Å; Y452-A469 WeakPolarHBondContact CA-O 3.28Å; A453-A469 PolarHBondContact N-O 2.87Å; A453-A469 PolarHBondContact O-N 3.29Å; A469-M471 HydrophobicContact CB-CE 4.18Å |
| 470 | K | 92.5 | Very high | 73.7 | Confident | 10 Ų | 10 | 51.2 Ų | 51.2 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.4 | 168.7 | 177.6 | 178.7 | 178.1 | 167 | 0 | 108.6 | Q10 R11 P47 D48 L49 F450 Y452 | Q10-K470 PolarHBondContact N-O 2.8Å; R11-K470 HydrophobicContact CB-CB 4.17Å; R11-K470 PolarHBondContact N-O 3.11Å; R11-K470 PolarHBondContact O-N 3.13Å; P47-K470 WeakPolarHBondContact O-CD 3.45Å; P47-K470 PolarHBondContact O-NZ 3.06Å; D48-K470 IonicContact OD1-NZ 3.09Å; D48-K470 PolarHBondContact OD1-NZ 3.42Å; L49-K470 HydrophobicContact CD1-CB 3.7Å; L49-K470 HydrophobicContact CG-CB 4.21Å; F450-K470 HydrophobicContact CB-CG 4.31Å; F450-K470 HydrophobicContact CD1-CG 4.31Å; F450-K470 HydrophobicContact CG-CG 4.49Å; Y452-K470 HydrophobicContact CD1-CB 3.96Å; Y452-K470 HydrophobicContact CD1-CG 4.26Å; Y452-K470 HydrophobicContact CE1-CB 3.85Å; Y452-K470 HydrophobicContact CE1-CD 3.93Å; Y452-K470 HydrophobicContact CE1-CG 3.78Å |
| 471 | M | 90.3 | Very high | 75.8 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.01 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.5 | 177.8 | -66.2 | 156.6 | -73.2 | 0 | 0 | 110.2 | I9 L413 V430 I432 F450 V451 A453 A469 | I9-M471 HydrophobicContact CG1-CG 4.11Å; L413-M471 HydrophobicContact CD2-CE 3.76Å; L413-M471 HydrophobicContact CD2-SD 4.04Å; V430-M471 HydrophobicContact CG1-SD 3.81Å; I432-M471 HydrophobicContact CD1-CE 3.77Å; I432-M471 HydrophobicContact CD1-SD 3.97Å; I432-M471 HydrophobicContact CG1-CE 4.18Å; I432-M471 HydrophobicContact CG1-SD 3.81Å; F450-M471 CarbonylContact C-O 3.03Å; F450-M471 VanDerWaalsContact CA-O 3.27Å; F450-M471 WeakPolarHBondContact CA-O 3.47Å; V451-M471 HydrophobicContact CG1-CB 4.08Å; V451-M471 HydrophobicContact CG1-CE 4.43Å; V451-M471 PolarHBondContact N-O 3.39Å; V451-M471 PolarHBondContact O-N 2.83Å; A453-M471 HydrophobicContact CB-CE 3.62Å; A469-M471 HydrophobicContact CB-CE 4.18Å |
| 472 | R | 89.8 | Confident | 78 | Confident | 92 Ų | 92 | 55.9 Ų | 55.9 | 35% | 0.347 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 135.8 | 176.1 | -161.1 | 174.5 | 178.6 | 174.8 | -2.1 | 110 | K415 F450 E474 | K415-R472 PolarHBondContact NZ-O 3.45Å; F450-R472 HydrophobicContact CD1-CB 4.16Å; F450-R472 HydrophobicContact CD1-CG 4.19Å; F450-R472 HydrophobicContact CE1-CB 4.02Å; F450-R472 HydrophobicContact CE1-CG 3.76Å; R472-E474 VanDerWaalsContact C-N 3.3Å; R472-E474 WeakPolarHBondContact CD-O 3.42Å; R472-E474 WeakPolarHBondContact CG-O 3.17Å; R472-E474 VanDerWaalsContact CG-OE2 3.25Å; R472-E474 WeakPolarHBondContact CG-OE2 3.35Å; R472-E474 IonicContact CZ-OE1 2.73Å; R472-E474 VanDerWaalsContact NE-CD 3.27Å; R472-E474 IonicContact NE-OE1 2.72Å; R472-E474 PolarHBondContact NE-OE1 3.06Å; R472-E474 IonicContact NE-OE2 3.29Å; R472-E474 PolarHBondContact NE-OE2 2.76Å; R472-E474 IonicContact NH2-OE1 3.06Å; R472-E474 PolarHBondContact NH2-OE1 3.08Å; R472-E474 PolarHBondContact O-N 2.71Å |
| 473 | V | 89.7 | Confident | 80.2 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -65.5 | -38.2 | -176.8 | -63.3 | 0 | 0 | 0 | 0 | 111.2 | F405 K415 F444 M449 V451 Y492 | F405-V473 HydrophobicContact CE1-CB 4.35Å; F405-V473 HydrophobicContact CE1-CG1 4.28Å; F405-V473 HydrophobicContact CZ-CB 3.8Å; F405-V473 HydrophobicContact CZ-CG1 3.84Å; K415-V473 PolarHBondContact NZ-O 2.96Å; F444-V473 HydrophobicContact CD1-CG1 4.15Å; F444-V473 HydrophobicContact CE1-CG1 4.02Å; M449-V473 WeakPolarHBondContact O-CG2 3.3Å; M449-V473 PolarHBondContact O-N 3.1Å; V451-V473 HydrophobicContact CB-CG1 4.44Å; V473-Y492 HydrophobicContact CB-CE1 4.39Å; V473-Y492 HydrophobicContact CB-CE2 4.02Å; V473-Y492 HydrophobicContact CG2-CD1 4.11Å; V473-Y492 HydrophobicContact CG2-CD2 4.48Å; V473-Y492 HydrophobicContact CG2-CE1 3.64Å; V473-Y492 HydrophobicContact CG2-CE2 4.07Å |
| 474 | E | 87 | Confident | 82.5 | Confident | 5 Ų | 5 | 49.8 Ų | 49.8 | 2% | 0.023 | 23% | 0.23 | C | C | . | . | trans | -114.2 | 144.8 | -179.5 | 86.9 | -67.8 | -174.5 | 0 | 0 | 111.8 | M449 R472 Y492 V504 | M449-E474 VanDerWaalsContact CE-CD 3.43Å; M449-E474 WeakPolarHBondContact CE-OE1 3.36Å; R472-E474 VanDerWaalsContact C-N 3.3Å; R472-E474 WeakPolarHBondContact CD-O 3.42Å; R472-E474 WeakPolarHBondContact CG-O 3.17Å; R472-E474 VanDerWaalsContact CG-OE2 3.25Å; R472-E474 WeakPolarHBondContact CG-OE2 3.35Å; R472-E474 IonicContact CZ-OE1 2.73Å; R472-E474 VanDerWaalsContact NE-CD 3.27Å; R472-E474 IonicContact NE-OE1 2.72Å; R472-E474 PolarHBondContact NE-OE1 3.06Å; R472-E474 IonicContact NE-OE2 3.29Å; R472-E474 PolarHBondContact NE-OE2 2.76Å; R472-E474 IonicContact NH2-OE1 3.06Å; R472-E474 PolarHBondContact NH2-OE1 3.08Å; R472-E474 PolarHBondContact O-N 2.71Å; E474-Y492 VanDerWaalsContact CB-CB 3.45Å; E474-Y492 HydrophobicContact CB-CD1 4.4Å; E474-Y492 HydrophobicContact CB-CD2 4.26Å; E474-Y492 HydrophobicContact CB-CG 3.82Å; E474-V504 HydrophobicContact CB-CG1 4.43Å; E474-V504 HydrophobicContact CG-CG1 3.66Å | ||
| 475 | Q | 85.1 | Confident | 84.8 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | trans | -133.4 | 35.7 | 175.4 | -60 | -173.7 | 11.4 | 0 | 0 | 112.2 | H477 R478 | Q475-H477 PolarHBondContact O-N 3.13Å; Q475-R478 HydrophobicContact CB-CG 4.29Å; Q475-R478 WeakPolarHBondContact O-CB 2.94Å; Q475-R478 WeakPolarHBondContact O-CG 3.23Å; Q475-R478 PolarHBondContact O-N 3.37Å | ||
| 476 | C | 89.2 | Confident | 86.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.034 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -49.9 | -34.5 | -172.8 | -47.2 | 0 | 0 | 0 | 0 | 114.8 | R478 Y479 C493 C502 | C476-R478 PolarHBondContact O-N 2.74Å; C476-Y479 PolarHBondContact O-N 3.02Å; C476-C493 WeakPolarHBondContact CA-SG 3.42Å; C476-C493 HydrophobicContact CB-CB 3.78Å; C476-C493 WeakPolarHBondContact CB-SG 3.43Å; C476-C493 WeakPolarHBondContact SG-CA 3.33Å; C476-C493 WeakPolarHBondContact SG-CB 3.44Å; C476-C493 CovalentContact SG-SG 2.04Å; C476-C493 PolarHBondContact SG-SG 3.25Å; C476-C502 CarbonylContact C-O 3.56Å; C476-C502 HydrophobicContact CB-CB 4.41Å; C476-C502 WeakPolarHBondContact CB-O 3.19Å; C476-C502 VanDerWaalsContact O-CB 3.24Å; C476-C502 WeakPolarHBondContact O-CB 3.45Å |
| 477 | H | 85.3 | Confident | 87.9 | Confident | 124 Ų | 124 | 49.9 Ų | 49.9 | 57% | 0.574 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -56.6 | -19.5 | 177.3 | 69.2 | -81.7 | 0 | 0 | 0 | 114.6 | Q475 Y479 | Q475-H477 PolarHBondContact O-N 3.13Å; H477-Y479 VanDerWaalsContact C-N 3.27Å; H477-Y479 PolarHBondContact O-N 3.49Å |
| 478 | R | 84.5 | Confident | 88 | Confident | 87 Ų | 87 | 49.8 Ų | 49.8 | 33% | 0.328 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -68.4 | -22.4 | 173.3 | -69.4 | 179.7 | 156.7 | -164.4 | -13.7 | 113.6 | E8 E428 Q475 C476 E480 | E8-R478 IonicContact OE1-CZ 3.36Å; E8-R478 VanDerWaalsContact OE1-CZ 3.27Å; E8-R478 IonicContact OE1-NH1 2.75Å; E8-R478 PolarHBondContact OE1-NH1 3.06Å; E8-R478 IonicContact OE1-NH2 3.97Å; E8-R478 PolarHBondContact OE1-NH2 3.44Å; E428-R478 IonicContact OE1-NH1 3.01Å; Q475-R478 HydrophobicContact CB-CG 4.29Å; Q475-R478 WeakPolarHBondContact O-CB 2.94Å; Q475-R478 WeakPolarHBondContact O-CG 3.23Å; Q475-R478 PolarHBondContact O-N 3.37Å; C476-R478 PolarHBondContact O-N 2.74Å; R478-E480 PolarHBondContact O-N 2.88Å |
| 479 | Y | 87.6 | Confident | 88 | Confident | 44 Ų | 44 | 53.1 Ų | 53.1 | 17% | 0.173 | 24% | 0.241 | C | C | . | . | trans | -97.9 | 86 | -176.3 | -49.5 | -62 | 0 | 0 | 0 | 110.4 | C476 H477 R481 Q484 A488 C502 | C476-Y479 PolarHBondContact O-N 3.02Å; H477-Y479 VanDerWaalsContact C-N 3.27Å; H477-Y479 PolarHBondContact O-N 3.49Å; Y479-R481 PolarHBondContact O-N 2.95Å; Y479-Q484 HydrophobicContact CD1-CB 4.32Å; Y479-A488 HydrophobicContact CD1-CB 4.15Å; Y479-A488 HydrophobicContact CD2-CB 4Å; Y479-A488 HydrophobicContact CE1-CB 3.69Å; Y479-A488 HydrophobicContact CE2-CB 3.52Å; Y479-A488 HydrophobicContact CG-CB 4.3Å; Y479-C502 WeakPolarHBondContact O-CB 3.21Å | ||
| 480 | E | 84.2 | Confident | 87.9 | Confident | 154 Ų | 154 | 53.1 Ų | 53.1 | 72% | 0.72 | 24% | 0.241 | S | C | * | . | trans | -65.9 | -17 | -177.2 | -62 | -177.2 | 164.8 | 0 | 0 | 114.2 | R478 W495 | R478-E480 PolarHBondContact O-N 2.88Å; E480-W495 VanDerWaalsContact O-CH2 3.31Å; E480-W495 WeakPolarHBondContact O-CH2 3.21Å | ||
| 481 | R | 85.8 | Confident | 87.9 | Confident | 170 Ų | 170 | 52.6 Ų | 52.6 | 64% | 0.642 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -123.6 | 142.5 | -176.4 | -55.9 | 179.6 | -176.1 | 179.3 | 0.8 | 111.4 | Y479 Q483 Q484 C485 | Y479-R481 PolarHBondContact O-N 2.95Å; R481-Q483 VanDerWaalsContact C-N 3.29Å; R481-Q483 PolarHBondContact O-N 3.45Å; R481-Q484 HydrophobicContact CB-CB 4.48Å; R481-Q484 HydrophobicContact CB-CG 4.22Å; R481-Q484 WeakPolarHBondContact O-CA 3.29Å; R481-Q484 WeakPolarHBondContact O-CB 3.46Å; R481-Q484 PolarHBondContact O-N 3.07Å; R481-C485 PolarHBondContact O-N 3.28Å |
| 482 | C | 87.2 | Confident | 87.9 | Confident | 12 Ų | 12 | 53 Ų | 53 | 8% | 0.081 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -49.7 | -46.4 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 113.5 | Q484 C485 L486 W495 C520 | C482-Q484 VanDerWaalsContact C-N 3.3Å; C482-Q484 PolarHBondContact O-N 3.33Å; C482-C485 WeakPolarHBondContact O-CB 3.49Å; C482-C485 PolarHBondContact O-N 3.44Å; C482-L486 WeakPolarHBondContact O-CG 3.45Å; C482-L486 PolarHBondContact O-N 3.44Å; C482-W495 VanDerWaalsContact CA-CD2 3.43Å; C482-W495 HydrophobicContact CB-CB 4.31Å; C482-W495 HydrophobicContact CB-CD2 3.44Å; C482-W495 VanDerWaalsContact CB-CD2 3.44Å; C482-W495 HydrophobicContact CB-CE3 3.98Å; C482-W495 HydrophobicContact CB-CG 3.58Å; C482-W495 HydrophobicContact CB-CZ2 4.06Å; C482-W495 HydrophobicContact CB-CZ3 4.48Å; C482-W495 VanDerWaalsContact N-CZ3 3.27Å; C482-W495 VanDerWaalsContact SG-CD1 3.59Å; C482-W495 VanDerWaalsContact SG-CG 3.5Å; C482-C520 VanDerWaalsContact C-SG 3.51Å; C482-C520 HydrophobicContact CB-CB 3.68Å; C482-C520 WeakPolarHBondContact CB-SG 3.32Å; C482-C520 WeakPolarHBondContact SG-CA 3.36Å; C482-C520 WeakPolarHBondContact SG-CB 3.44Å; C482-C520 CovalentContact SG-SG 2.02Å; C482-C520 PolarHBondContact SG-SG 3.05Å |
| 483 | Q | 86.8 | Confident | 87.9 | Confident | 115 Ų | 115 | 48.6 Ų | 48.6 | 54% | 0.537 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -64.3 | -34.2 | 179.5 | -164.2 | 66.3 | 55.6 | 0 | 0 | 112.8 | R481 N487 | R481-Q483 VanDerWaalsContact C-N 3.29Å; R481-Q483 PolarHBondContact O-N 3.45Å; Q483-N487 PolarHBondContact NE2-OD1 2.89Å; Q483-N487 WeakPolarHBondContact O-CB 3.26Å; Q483-N487 PolarHBondContact O-N 2.66Å; Q483-N487 PolarHBondContact O-OD1 3.36Å |
| 484 | Q | 88.7 | Confident | 88 | Confident | 87 Ų | 87 | 48.6 Ų | 48.6 | 41% | 0.407 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.9 | -42.8 | 174.7 | -66.9 | 167.8 | -33.5 | 0 | 0 | 110.5 | Y479 R481 C482 N487 A488 | Y479-Q484 HydrophobicContact CD1-CB 4.32Å; R481-Q484 HydrophobicContact CB-CB 4.48Å; R481-Q484 HydrophobicContact CB-CG 4.22Å; R481-Q484 WeakPolarHBondContact O-CA 3.29Å; R481-Q484 WeakPolarHBondContact O-CB 3.46Å; R481-Q484 PolarHBondContact O-N 3.07Å; C482-Q484 VanDerWaalsContact C-N 3.3Å; C482-Q484 PolarHBondContact O-N 3.33Å; Q484-N487 PolarHBondContact O-N 3.02Å; Q484-A488 WeakPolarHBondContact O-CB 3.48Å; Q484-A488 PolarHBondContact O-N 2.85Å |
| 485 | C | 90.8 | Very high | 88.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -48.4 | 179.2 | -173.9 | 0 | 0 | 0 | 0 | 112.5 | R481 C482 A488 W495 C502 | R481-C485 PolarHBondContact O-N 3.28Å; C482-C485 WeakPolarHBondContact O-CB 3.49Å; C482-C485 PolarHBondContact O-N 3.44Å; C485-A488 WeakPolarHBondContact O-CB 3.45Å; C485-W495 HydrophobicContact CB-CE3 3.96Å; C485-C502 HydrophobicContact CB-CB 3.5Å; C485-C502 VanDerWaalsContact CB-CB 3.5Å; C485-C502 WeakPolarHBondContact CB-SG 3.19Å; C485-C502 WeakPolarHBondContact SG-CB 3.11Å; C485-C502 CovalentContact SG-SG 2.02Å; C485-C502 PolarHBondContact SG-SG 3.2Å |
| 486 | L | 89.4 | Confident | 88.3 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -75.9 | -34.8 | -179.4 | -55.6 | -179.4 | 0 | 0 | 0 | 111.9 | C482 A488 W495 L513 | C482-L486 WeakPolarHBondContact O-CG 3.45Å; C482-L486 PolarHBondContact O-N 3.44Å; L486-A488 VanDerWaalsContact C-N 3.26Å; L486-A488 PolarHBondContact O-N 3.33Å; L486-W495 HydrophobicContact CD2-CB 4.46Å; L486-L513 HydrophobicContact CD2-CB 4.35Å; L486-L513 WeakPolarHBondContact CD2-O 3.26Å |
| 487 | N | 87.9 | Confident | 88 | Confident | 107 Ų | 107 | 48.8 Ų | 48.8 | 57% | 0.572 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -74.7 | -12.5 | 175.5 | -69.8 | 7.3 | 0 | 0 | 0 | 113.7 | Q483 Q484 L489 | Q483-N487 PolarHBondContact NE2-OD1 2.89Å; Q483-N487 WeakPolarHBondContact O-CB 3.26Å; Q483-N487 PolarHBondContact O-N 2.66Å; Q483-N487 PolarHBondContact O-OD1 3.36Å; Q484-N487 PolarHBondContact O-N 3.02Å; N487-L489 PolarHBondContact O-N 2.99Å |
| 488 | A | 86.3 | Confident | 87.6 | Confident | 15 Ų | 15 | 44.5 Ų | 44.5 | 12% | 0.124 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -20.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y479 Q484 C485 L486 D490 | Y479-A488 HydrophobicContact CD1-CB 4.15Å; Y479-A488 HydrophobicContact CD2-CB 4Å; Y479-A488 HydrophobicContact CE1-CB 3.69Å; Y479-A488 HydrophobicContact CE2-CB 3.52Å; Y479-A488 HydrophobicContact CG-CB 4.3Å; Q484-A488 WeakPolarHBondContact O-CB 3.48Å; Q484-A488 PolarHBondContact O-N 2.85Å; C485-A488 WeakPolarHBondContact O-CB 3.45Å; L486-A488 VanDerWaalsContact C-N 3.26Å; L486-A488 PolarHBondContact O-N 3.33Å; A488-D490 PolarHBondContact O-N 3.28Å |
| 489 | L | 88.8 | Confident | 87.5 | Confident | 70 Ų | 70 | 42.2 Ų | 42.2 | 37% | 0.366 | 20% | 0.198 | S | C | . | . | trans | 57.4 | 9.6 | -175.7 | -52.1 | 178.9 | 0 | 0 | 0 | 115 | V425 N487 P491 Y515 | V425-L489 HydrophobicContact CG1-CD1 4.34Å; N487-L489 PolarHBondContact O-N 2.99Å; L489-P491 WeakPolarHBondContact O-CD 3.37Å; L489-Y515 HydrophobicContact CD2-CD2 3.86Å; L489-Y515 HydrophobicContact CD2-CE2 4.27Å | ||
| 490 | D | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -69.2 | 113.6 | 176.3 | -174.9 | -14.4 | 0 | 0 | 0 | 109.9 | Y427 A488 Y492 C493 | Y427-D490 HydrophobicContact CD2-CB 3.86Å; Y427-D490 HydrophobicContact CE2-CB 3.58Å; Y427-D490 VanDerWaalsContact CE2-CG 3.46Å; Y427-D490 PolarHBondContact OH-OD1 3.44Å; A488-D490 PolarHBondContact O-N 3.28Å; D490-Y492 PolarHBondContact O-N 3.04Å; D490-Y492 VanDerWaalsContact O-N 3.16Å; D490-Y492 WeakPolarHBondContact OD1-CB 3.5Å; D490-Y492 VanDerWaalsContact OD1-CD2 3.31Å; D490-Y492 WeakPolarHBondContact OD1-CD2 2.95Å; D490-Y492 PolarHBondContact OD1-N 3.05Å; D490-C493 HydrophobicContact CB-CB 4.03Å; D490-C493 PolarHBondContact O-N 3.01Å; D490-C493 PolarHBondContact OD2-SG 2.85Å | ||
| 491 | P | 90.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -14.6 | -175.1 | -22.5 | 37.2 | 0 | 0 | 0 | 114.8 | T398 Y401 V403 V417 Y427 L489 C493 Y515 | T398-P491 HydrophobicContact CG2-CB 3.72Å; Y401-P491 HydrophobicContact CD2-CB 3.78Å; Y401-P491 HydrophobicContact CG-CB 3.93Å; V403-P491 HydrophobicContact CG2-CB 4.09Å; V403-P491 HydrophobicContact CG2-CG 3.95Å; V417-P491 HydrophobicContact CB-CG 3.64Å; V417-P491 HydrophobicContact CG2-CG 3.55Å; Y427-P491 HydrophobicContact CE1-CG 4.48Å; L489-P491 WeakPolarHBondContact O-CD 3.37Å; P491-C493 VanDerWaalsContact C-N 3.33Å; P491-Y515 HydrophobicContact CB-CE1 4.14Å; P491-Y515 HydrophobicContact CG-CE1 4.25Å |
| 492 | Y | 90.3 | Very high | 87.8 | Confident | 10 Ų | 10 | 31.7 Ų | 31.7 | 4% | 0.039 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -19.5 | 171.8 | -65.1 | -84 | 0 | 0 | 0 | 112.7 | T396 T398 V403 F405 V473 E474 D490 V504 | T396-Y492 WeakPolarHBondContact CG2-OH 3.23Å; T398-Y492 HydrophobicContact CG2-CD1 3.94Å; T398-Y492 HydrophobicContact CG2-CD2 4.33Å; T398-Y492 HydrophobicContact CG2-CE1 3.98Å; T398-Y492 HydrophobicContact CG2-CE2 4.36Å; T398-Y492 HydrophobicContact CG2-CG 4.13Å; V403-Y492 HydrophobicContact CB-CE2 4.36Å; V403-Y492 HydrophobicContact CG1-CE2 4.23Å; V403-Y492 HydrophobicContact CG2-CE2 3.97Å; F405-Y492 HydrophobicContact CZ-CE2 4.33Å; V473-Y492 HydrophobicContact CB-CE1 4.39Å; V473-Y492 HydrophobicContact CB-CE2 4.02Å; V473-Y492 HydrophobicContact CG2-CD1 4.11Å; V473-Y492 HydrophobicContact CG2-CD2 4.48Å; V473-Y492 HydrophobicContact CG2-CE1 3.64Å; V473-Y492 HydrophobicContact CG2-CE2 4.07Å; E474-Y492 VanDerWaalsContact CB-CB 3.45Å; E474-Y492 HydrophobicContact CB-CD1 4.4Å; E474-Y492 HydrophobicContact CB-CD2 4.26Å; E474-Y492 HydrophobicContact CB-CG 3.82Å; D490-Y492 PolarHBondContact O-N 3.04Å; D490-Y492 VanDerWaalsContact O-N 3.16Å; D490-Y492 WeakPolarHBondContact OD1-CB 3.5Å; D490-Y492 VanDerWaalsContact OD1-CD2 3.31Å; D490-Y492 WeakPolarHBondContact OD1-CD2 2.95Å; D490-Y492 PolarHBondContact OD1-N 3.05Å; Y492-V504 WeakPolarHBondContact O-CA 3.36Å |
| 493 | C | 91.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -105.6 | 136.3 | -167.5 | -60.3 | 0 | 0 | 0 | 0 | 112.6 | C476 D490 P491 | C476-C493 WeakPolarHBondContact CA-SG 3.42Å; C476-C493 HydrophobicContact CB-CB 3.78Å; C476-C493 WeakPolarHBondContact CB-SG 3.43Å; C476-C493 WeakPolarHBondContact SG-CA 3.33Å; C476-C493 WeakPolarHBondContact SG-CB 3.44Å; C476-C493 CovalentContact SG-SG 2.04Å; C476-C493 PolarHBondContact SG-SG 3.25Å; D490-C493 HydrophobicContact CB-CB 4.03Å; D490-C493 PolarHBondContact O-N 3.01Å; D490-C493 PolarHBondContact OD2-SG 2.85Å; P491-C493 VanDerWaalsContact C-N 3.33Å | ||
| 494 | G | 90.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 160 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | S503 W512 L513 | G494-S503 PolarHBondContact N-O 3.32Å; G494-S503 PolarHBondContact O-N 3.28Å; G494-S503 VanDerWaalsContact O-O 3.06Å; G494-W512 VanDerWaalsContact CA-CE2 3.44Å; G494-W512 PolarHBondContact O-NE1 3.33Å; G494-L513 CarbonylContact C-O 3.6Å; G494-L513 WeakPolarHBondContact CA-O 3.34Å |
| 495 | W | 91 | Very high | 88 | Confident | 16 Ų | 16 | 27.5 Ų | 27.5 | 6% | 0.061 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 119.7 | -174.1 | -174 | -106 | 0 | 0 | 0 | 111 | E480 C482 C485 L486 S497 S500 R501 C502 W512 L513 | E480-W495 VanDerWaalsContact O-CH2 3.31Å; E480-W495 WeakPolarHBondContact O-CH2 3.21Å; C482-W495 VanDerWaalsContact CA-CD2 3.43Å; C482-W495 HydrophobicContact CB-CB 4.31Å; C482-W495 HydrophobicContact CB-CD2 3.44Å; C482-W495 VanDerWaalsContact CB-CD2 3.44Å; C482-W495 HydrophobicContact CB-CE3 3.98Å; C482-W495 HydrophobicContact CB-CG 3.58Å; C482-W495 HydrophobicContact CB-CZ2 4.06Å; C482-W495 HydrophobicContact CB-CZ3 4.48Å; C482-W495 VanDerWaalsContact N-CZ3 3.27Å; C482-W495 VanDerWaalsContact SG-CD1 3.59Å; C482-W495 VanDerWaalsContact SG-CG 3.5Å; C485-W495 HydrophobicContact CB-CE3 3.96Å; L486-W495 HydrophobicContact CD2-CB 4.46Å; W495-S497 PolarHBondContact O-N 3.33Å; W495-S500 VanDerWaalsContact CH2-O 3.25Å; W495-S500 WeakPolarHBondContact CH2-O 3.48Å; W495-S500 VanDerWaalsContact CZ2-C 3.42Å; W495-R501 VanDerWaalsContact CE3-C 3.5Å; W495-R501 VanDerWaalsContact CZ3-C 3.47Å; W495-C502 HydrophobicContact CE3-CB 4.01Å; W495-C502 HydrophobicContact CZ3-CB 4.21Å; W495-W512 WeakPolarHBondContact O-CA 3.44Å; W495-L513 HydrophobicContact CB-CB 4.18Å; W495-L513 HydrophobicContact CB-CD1 4.4Å; W495-L513 PolarHBondContact N-O 3.35Å; W495-L513 PolarHBondContact O-N 3.46Å |
| 496 | C | 89.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 95.5 | 176.4 | -166.3 | 0 | 0 | 0 | 0 | 110.1 | L498 E499 S500 R501 C508 S510 | C496-L498 PolarHBondContact O-N 3.27Å; C496-E499 HydrophobicContact CB-CB 4.1Å; C496-E499 PolarHBondContact O-N 2.85Å; C496-E499 VanDerWaalsContact SG-CG 3.58Å; C496-E499 PolarHBondContact SG-OE2 2.83Å; C496-S500 PolarHBondContact O-N 3.23Å; C496-R501 HydrophobicContact CB-CG 4.36Å; C496-R501 WeakPolarHBondContact CB-O 3.19Å; C496-R501 PolarHBondContact N-O 3.27Å; C496-C508 WeakPolarHBondContact CA-SG 3.02Å; C496-C508 HydrophobicContact CB-CB 3.7Å; C496-C508 WeakPolarHBondContact CB-SG 3.39Å; C496-C508 WeakPolarHBondContact SG-CA 3.46Å; C496-C508 WeakPolarHBondContact SG-CB 3.28Å; C496-C508 CovalentContact SG-SG 2.02Å; C496-C508 PolarHBondContact SG-SG 2.92Å; C496-S510 PolarHBondContact SG-OG 2.77Å |
| 497 | S | 81.4 | Confident | 87.6 | Confident | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -42.5 | -157.5 | -56.6 | 0 | 0 | 0 | 0 | 115.2 | W495 S510 H511 F610 | W495-S497 PolarHBondContact O-N 3.33Å; S497-S510 PolarHBondContact N-OG 3.2Å; S497-H511 WeakPolarHBondContact CB-O 3.46Å; S497-H511 PolarHBondContact N-O 2.84Å; S497-H511 PolarHBondContact OG-O 3.28Å; S497-F610 WeakPolarHBondContact O-CB 3.25Å |
| 498 | L | 77.8 | Confident | 87.6 | Confident | 34 Ų | 34 | 33.7 Ų | 33.7 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -12.1 | 179.9 | -62.4 | 176.7 | 0 | 0 | 0 | 113.7 | C496 S510 P547 V549 V604 F610 | C496-L498 PolarHBondContact O-N 3.27Å; L498-S510 PolarHBondContact N-OG 3.2Å; L498-S510 VanDerWaalsContact N-OG 3.09Å; L498-P547 HydrophobicContact CD2-CG 3.74Å; L498-P547 HydrophobicContact CG-CG 4.13Å; L498-V549 HydrophobicContact CD2-CG2 4.31Å; L498-V604 HydrophobicContact CD2-CG2 4.25Å; L498-F610 HydrophobicContact CD2-CG 4.46Å |
| 499 | E | 81.4 | Confident | 87.3 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 19% | 0.187 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -3.3 | 178.5 | -61.3 | 179.5 | -161.5 | 0 | 0 | 112.5 | C496 R501 K509 | C496-E499 HydrophobicContact CB-CB 4.1Å; C496-E499 PolarHBondContact O-N 2.85Å; C496-E499 VanDerWaalsContact SG-CG 3.58Å; C496-E499 PolarHBondContact SG-OE2 2.83Å; E499-R501 HydrophobicContact CB-CG 3.96Å; E499-R501 PolarHBondContact O-N 2.85Å; E499-R501 IonicContact OE2-CZ 2.64Å; E499-R501 IonicContact OE2-NE 3.65Å; E499-R501 PolarHBondContact OE2-NE 3.22Å; E499-R501 IonicContact OE2-NH2 2.85Å; E499-R501 PolarHBondContact OE2-NH2 3.2Å; E499-K509 WeakPolarHBondContact OE1-CA 3.25Å; E499-K509 VanDerWaalsContact OE1-CB 3.32Å; E499-K509 WeakPolarHBondContact OE1-CB 3.38Å; E499-K509 PolarHBondContact OE1-N 2.89Å |
| 500 | S | 84.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 15% | 0.154 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 32.7 | 172.7 | -39.4 | 0 | 0 | 0 | 0 | 113.9 | W495 C496 A608 D609 F610 | W495-S500 VanDerWaalsContact CH2-O 3.25Å; W495-S500 WeakPolarHBondContact CH2-O 3.48Å; W495-S500 VanDerWaalsContact CZ2-C 3.42Å; C496-S500 PolarHBondContact O-N 3.23Å; S500-A608 WeakPolarHBondContact OG-CB 3.3Å; S500-A608 PolarHBondContact OG-O 2.89Å; S500-D609 WeakPolarHBondContact CB-O 3.46Å; S500-D609 PolarHBondContact OG-O 3Å; S500-F610 WeakPolarHBondContact OG-CA 3.22Å; S500-F610 WeakPolarHBondContact OG-CB 3.36Å; S500-F610 PolarHBondContact OG-N 2.93Å; S500-F610 VanDerWaalsContact OG-N 3.15Å |
| 501 | R | 88.3 | Confident | 86.3 | Confident | 119 Ų | 119 | 46.1 Ų | 46.1 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 145.1 | -175.5 | 64.5 | -173.2 | -177.2 | 145.1 | 4.5 | 112.1 | W495 C496 E499 S507 | W495-R501 VanDerWaalsContact CE3-C 3.5Å; W495-R501 VanDerWaalsContact CZ3-C 3.47Å; C496-R501 HydrophobicContact CB-CG 4.36Å; C496-R501 WeakPolarHBondContact CB-O 3.19Å; C496-R501 PolarHBondContact N-O 3.27Å; E499-R501 HydrophobicContact CB-CG 3.96Å; E499-R501 PolarHBondContact O-N 2.85Å; E499-R501 IonicContact OE2-CZ 2.64Å; E499-R501 IonicContact OE2-NE 3.65Å; E499-R501 PolarHBondContact OE2-NE 3.22Å; E499-R501 IonicContact OE2-NH2 2.85Å; E499-R501 PolarHBondContact OE2-NH2 3.2Å; R501-S507 PolarHBondContact NH2-O 3.48Å |
| 502 | C | 91.1 | Very high | 86.1 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 128.3 | 168.7 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | C476 Y479 C485 W495 | C476-C502 CarbonylContact C-O 3.56Å; C476-C502 HydrophobicContact CB-CB 4.41Å; C476-C502 WeakPolarHBondContact CB-O 3.19Å; C476-C502 VanDerWaalsContact O-CB 3.24Å; C476-C502 WeakPolarHBondContact O-CB 3.45Å; Y479-C502 WeakPolarHBondContact O-CB 3.21Å; C485-C502 HydrophobicContact CB-CB 3.5Å; C485-C502 VanDerWaalsContact CB-CB 3.5Å; C485-C502 WeakPolarHBondContact CB-SG 3.19Å; C485-C502 WeakPolarHBondContact SG-CB 3.11Å; C485-C502 CovalentContact SG-SG 2.02Å; C485-C502 PolarHBondContact SG-SG 3.2Å; W495-C502 HydrophobicContact CE3-CB 4.01Å; W495-C502 HydrophobicContact CZ3-CB 4.21Å |
| 503 | S | 90.6 | Very high | 86.1 | Confident | 8 Ų | 8 | 47.9 Ų | 47.9 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 168.3 | -168.2 | 71.2 | 0 | 0 | 0 | 0 | 111.8 | G494 S507 W512 | G494-S503 PolarHBondContact N-O 3.32Å; G494-S503 PolarHBondContact O-N 3.28Å; G494-S503 VanDerWaalsContact O-O 3.06Å; S503-S507 VanDerWaalsContact CB-OG 3.3Å; S503-S507 WeakPolarHBondContact CB-OG 3.27Å; S503-W512 PolarHBondContact O-NE1 3.02Å |
| 504 | V | 89.9 | Confident | 85.9 | Confident | 26 Ų | 26 | 49.8 Ų | 49.8 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | trans | -73.5 | 150.6 | 168.1 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | E474 Y492 E506 S507 C508 | E474-V504 HydrophobicContact CB-CG1 4.43Å; E474-V504 HydrophobicContact CG-CG1 3.66Å; Y492-V504 WeakPolarHBondContact O-CA 3.36Å; V504-E506 VanDerWaalsContact C-N 3.29Å; V504-E506 PolarHBondContact O-N 3.16Å; V504-S507 WeakPolarHBondContact CG2-OG 3.46Å; V504-S507 PolarHBondContact N-OG 3.46Å; V504-S507 PolarHBondContact O-N 3.22Å; V504-S507 PolarHBondContact O-OG 2.67Å; V504-C508 PolarHBondContact O-N 3.36Å | ||
| 505 | Q | 87.5 | Confident | 85.6 | Confident | 92 Ų | 92 | 51.1 Ų | 51.1 | 43% | 0.43 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -53.4 | -44.2 | -175.4 | -168.9 | -179.2 | 5.2 | 0 | 0 | 112.7 | H399 S507 C508 W512 | H399-Q505 PolarHBondContact CE1-OE1 3.23Å; H399-Q505 PolarHBondContact ND1-OE1 3.32Å; Q505-S507 PolarHBondContact O-N 3.01Å; Q505-C508 WeakPolarHBondContact O-CB 3.48Å; Q505-C508 PolarHBondContact O-N 3.45Å; Q505-C508 VanDerWaalsContact O-N 3.08Å; Q505-W512 HydrophobicContact CB-CD2 3.73Å; Q505-W512 HydrophobicContact CB-CE3 3.97Å; Q505-W512 HydrophobicContact CB-CG 4.16Å; Q505-W512 HydrophobicContact CB-CH2 4.29Å; Q505-W512 HydrophobicContact CB-CZ2 4.08Å; Q505-W512 HydrophobicContact CB-CZ3 4.23Å; Q505-W512 HydrophobicContact CG-CB 4.25Å; Q505-W512 HydrophobicContact CG-CD2 3.81Å; Q505-W512 HydrophobicContact CG-CE3 3.82Å; Q505-W512 HydrophobicContact CG-CG 4.03Å; Q505-W512 HydrophobicContact CG-CZ3 4.39Å |
| 506 | E | 85.6 | Confident | 85 | Confident | 184 Ų | 184 | 54 Ų | 54 | 86% | 0.86 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -62 | -26.5 | -179.3 | -58.7 | -176.3 | 166.5 | 0 | 0 | 113.9 | V504 | V504-E506 VanDerWaalsContact C-N 3.29Å; V504-E506 PolarHBondContact O-N 3.16Å |
| 507 | S | 86 | Confident | 84.4 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -88.1 | -6.5 | 179.9 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | R501 S503 V504 Q505 | R501-S507 PolarHBondContact NH2-O 3.48Å; S503-S507 VanDerWaalsContact CB-OG 3.3Å; S503-S507 WeakPolarHBondContact CB-OG 3.27Å; V504-S507 WeakPolarHBondContact CG2-OG 3.46Å; V504-S507 PolarHBondContact N-OG 3.46Å; V504-S507 PolarHBondContact O-N 3.22Å; V504-S507 PolarHBondContact O-OG 2.67Å; Q505-S507 PolarHBondContact O-N 3.01Å |
| 508 | C | 86.6 | Confident | 84.3 | Confident | 17 Ų | 17 | 62.9 Ų | 62.9 | 12% | 0.115 | 31% | 0.311 | C | S | . | . | trans | -98.8 | 118.9 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 111.1 | C496 V504 Q505 S510 W512 | C496-C508 WeakPolarHBondContact CA-SG 3.02Å; C496-C508 HydrophobicContact CB-CB 3.7Å; C496-C508 WeakPolarHBondContact CB-SG 3.39Å; C496-C508 WeakPolarHBondContact SG-CA 3.46Å; C496-C508 WeakPolarHBondContact SG-CB 3.28Å; C496-C508 CovalentContact SG-SG 2.02Å; C496-C508 PolarHBondContact SG-SG 2.92Å; V504-C508 PolarHBondContact O-N 3.36Å; Q505-C508 WeakPolarHBondContact O-CB 3.48Å; Q505-C508 PolarHBondContact O-N 3.45Å; Q505-C508 VanDerWaalsContact O-N 3.08Å; C508-S510 PolarHBondContact SG-O 2.78Å; C508-W512 HydrophobicContact CB-CB 4.12Å; C508-W512 HydrophobicContact CB-CG 4.29Å | ||
| 509 | K | 80.6 | Confident | 84.5 | Confident | 200 Ų | 200 | 68.8 Ų | 68.8 | 87% | 0.87 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -88.6 | -7 | 174.6 | -56.4 | 178.6 | -178.6 | 177.9 | 0 | 112.9 | E499 | E499-K509 WeakPolarHBondContact OE1-CA 3.25Å; E499-K509 VanDerWaalsContact OE1-CB 3.32Å; E499-K509 WeakPolarHBondContact OE1-CB 3.38Å; E499-K509 PolarHBondContact OE1-N 2.89Å |
| 510 | S | 76.3 | Confident | 84.7 | Confident | 30 Ų | 30 | 68 Ų | 68 | 21% | 0.21 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -110.7 | -166.1 | -179.7 | 78.4 | 0 | 0 | 0 | 0 | 112 | C496 S497 L498 C508 W512 | C496-S510 PolarHBondContact SG-OG 2.77Å; S497-S510 PolarHBondContact N-OG 3.2Å; L498-S510 PolarHBondContact N-OG 3.2Å; L498-S510 VanDerWaalsContact N-OG 3.09Å; C508-S510 PolarHBondContact SG-O 2.78Å; S510-W512 PolarHBondContact O-N 3.03Å; S510-W512 VanDerWaalsContact O-N 3.09Å |
| 511 | H | 82.3 | Confident | 84.7 | Confident | 117 Ų | 117 | 67.7 Ų | 67.7 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | trans | -70.5 | 105.9 | 179.4 | -169.2 | 64.1 | 0 | 0 | 0 | 111 | S497 | S497-H511 WeakPolarHBondContact CB-O 3.46Å; S497-H511 PolarHBondContact N-O 2.84Å; S497-H511 PolarHBondContact OG-O 3.28Å | ||
| 512 | W | 86.6 | Confident | 84.5 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 122.8 | 178.6 | -172.3 | 83.3 | 0 | 0 | 0 | 111.5 | G494 W495 S503 Q505 C508 S510 P514 | G494-W512 VanDerWaalsContact CA-CE2 3.44Å; G494-W512 PolarHBondContact O-NE1 3.33Å; W495-W512 WeakPolarHBondContact O-CA 3.44Å; S503-W512 PolarHBondContact O-NE1 3.02Å; Q505-W512 HydrophobicContact CB-CD2 3.73Å; Q505-W512 HydrophobicContact CB-CE3 3.97Å; Q505-W512 HydrophobicContact CB-CG 4.16Å; Q505-W512 HydrophobicContact CB-CH2 4.29Å; Q505-W512 HydrophobicContact CB-CZ2 4.08Å; Q505-W512 HydrophobicContact CB-CZ3 4.23Å; Q505-W512 HydrophobicContact CG-CB 4.25Å; Q505-W512 HydrophobicContact CG-CD2 3.81Å; Q505-W512 HydrophobicContact CG-CE3 3.82Å; Q505-W512 HydrophobicContact CG-CG 4.03Å; Q505-W512 HydrophobicContact CG-CZ3 4.39Å; C508-W512 HydrophobicContact CB-CB 4.12Å; C508-W512 HydrophobicContact CB-CG 4.29Å; S510-W512 PolarHBondContact O-N 3.03Å; S510-W512 VanDerWaalsContact O-N 3.09Å; W512-P514 HydrophobicContact CE3-CB 4.42Å; W512-P514 HydrophobicContact CH2-CB 4.24Å; W512-P514 HydrophobicContact CZ3-CB 3.75Å; W512-P514 HydrophobicContact CZ3-CG 4.46Å |
| 513 | L | 88.9 | Confident | 84.3 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 8% | 0.079 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 113 | -178.2 | -64.7 | 176.9 | 0 | 0 | 0 | 110.9 | L486 G494 W495 K519 | L486-L513 HydrophobicContact CD2-CB 4.35Å; L486-L513 WeakPolarHBondContact CD2-O 3.26Å; G494-L513 CarbonylContact C-O 3.6Å; G494-L513 WeakPolarHBondContact CA-O 3.34Å; W495-L513 HydrophobicContact CB-CB 4.18Å; W495-L513 HydrophobicContact CB-CD1 4.4Å; W495-L513 PolarHBondContact N-O 3.35Å; W495-L513 PolarHBondContact O-N 3.46Å; L513-K519 WeakPolarHBondContact CD1-O 2.86Å |
| 514 | P | 87.1 | Confident | 84.1 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 26% | 0.26 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 154.1 | 174.6 | 27.5 | -35 | 0 | 0 | 0 | 112.4 | W512 K516 S518 | W512-P514 HydrophobicContact CE3-CB 4.42Å; W512-P514 HydrophobicContact CH2-CB 4.24Å; W512-P514 HydrophobicContact CZ3-CB 3.75Å; W512-P514 HydrophobicContact CZ3-CG 4.46Å; P514-K516 PolarHBondContact O-N 3.27Å; P514-K516 VanDerWaalsContact O-N 3.14Å; P514-S518 VanDerWaalsContact CD-OG 3.28Å; P514-S518 WeakPolarHBondContact CD-OG 3.38Å; P514-S518 WeakPolarHBondContact O-CB 3.16Å; P514-S518 PolarHBondContact O-OG 3.31Å |
| 515 | Y | 84.5 | Confident | 84 | Confident | 28 Ų | 28 | 71.5 Ų | 71.5 | 11% | 0.11 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -31.9 | 179.7 | 84.4 | -91.2 | 0 | 0 | 0 | 114.2 | Y401 L489 P491 | Y401-Y515 HydrophobicContact CD1-CE1 4.11Å; Y401-Y515 HydrophobicContact CD2-CE1 4.11Å; Y401-Y515 AromaticContact CE1-CE1 3.73Å; Y401-Y515 HydrophobicContact CE1-CE1 3.73Å; Y401-Y515 AromaticContact CE1-CZ 3.92Å; Y401-Y515 WeakPolarHBondContact CE1-OH 3.38Å; Y401-Y515 HydrophobicContact CE2-CD1 4.28Å; Y401-Y515 AromaticContact CE2-CE1 3.72Å; Y401-Y515 HydrophobicContact CE2-CE1 3.72Å; Y401-Y515 HydrophobicContact CG-CE1 4.29Å; Y401-Y515 AromaticContact CZ-CE1 3.51Å; L489-Y515 HydrophobicContact CD2-CD2 3.86Å; L489-Y515 HydrophobicContact CD2-CE2 4.27Å; P491-Y515 HydrophobicContact CB-CE1 4.14Å; P491-Y515 HydrophobicContact CG-CE1 4.25Å |
| 516 | K | 77.7 | Confident | 84 | Confident | 77 Ų | 77 | 67.7 Ų | 67.7 | 34% | 0.335 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 130.4 | -179.5 | -161.4 | 172.4 | 175.7 | 173.3 | 0 | 110.2 | D271 Y401 P514 S518 | D271-K516 IonicContact OD2-NZ 3.74Å; D271-K516 PolarHBondContact OD2-NZ 2.87Å; Y401-K516 HydrophobicContact CE1-CD 3.97Å; Y401-K516 WeakPolarHBondContact OH-CB 3.38Å; P514-K516 PolarHBondContact O-N 3.27Å; P514-K516 VanDerWaalsContact O-N 3.14Å; K516-S518 PolarHBondContact O-N 3.17Å |
| 517 | D | 76.7 | Confident | 84.1 | Confident | 155 Ų | 155 | 62.7 Ų | 62.7 | 83% | 0.829 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 3.9 | 173.6 | -54.2 | -42.3 | 0 | 0 | 0 | 118.4 | ||
| 518 | S | 80.9 | Confident | 84.3 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | trans | -89.7 | 161.7 | -179 | -60.2 | 0 | 0 | 0 | 0 | 115.6 | P514 K516 | P514-S518 VanDerWaalsContact CD-OG 3.28Å; P514-S518 WeakPolarHBondContact CD-OG 3.38Å; P514-S518 WeakPolarHBondContact O-CB 3.16Å; P514-S518 PolarHBondContact O-OG 3.31Å; K516-S518 PolarHBondContact O-N 3.17Å | ||
| 519 | K | 82 | Confident | 84.4 | Confident | 158 Ų | 158 | 65.2 Ų | 65.2 | 69% | 0.687 | 34% | 0.338 | S | S | * | . | trans | -138.4 | 142.8 | 176.8 | -62.8 | -177.9 | -176.2 | 176.4 | 0 | 112.7 | L513 | L513-K519 WeakPolarHBondContact CD1-O 2.86Š| ||
| 520 | C | 85.7 | Confident | 84.8 | Confident | 23 Ų | 23 | 59 Ų | 59 | 16% | 0.155 | 31% | 0.312 | C | S | . | . | trans | -77.4 | 152 | -175.5 | -57.6 | 0 | 0 | 0 | 0 | 114.6 | C482 N545 | C482-C520 VanDerWaalsContact C-SG 3.51Å; C482-C520 HydrophobicContact CB-CB 3.68Å; C482-C520 WeakPolarHBondContact CB-SG 3.32Å; C482-C520 WeakPolarHBondContact SG-CA 3.36Å; C482-C520 WeakPolarHBondContact SG-CB 3.44Å; C482-C520 CovalentContact SG-SG 2.02Å; C482-C520 PolarHBondContact SG-SG 3.05Å; C520-N545 PolarHBondContact O-ND2 2.73Å | ||
| 521 | T | 83.5 | Confident | 85.4 | Confident | 17 Ų | 17 | 58 Ų | 58 | 10% | 0.104 | 30% | 0.304 | C | S | . | . | trans | -74.9 | 140.8 | 166.8 | -49.6 | 0 | 0 | 0 | 0 | 110.8 | V543 L544 N545 F610 A611 | T521-V543 HydrophobicContact CG2-CG1 3.84Å; T521-L544 WeakPolarHBondContact CA-O 3.42Å; T521-L544 WeakPolarHBondContact CG2-O 3.47Å; T521-N545 PolarHBondContact OG1-O 3.13Å; T521-F610 HydrophobicContact CG2-CD2 4.29Å; T521-F610 HydrophobicContact CG2-CE2 4.4Å; T521-A611 HydrophobicContact CG2-CB 4.33Å | ||
| 522 | S | 84.3 | Confident | 85.7 | Confident | 51 Ų | 51 | 53.4 Ų | 53.4 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 152 | 180 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | V543 L544 | S522-V543 CarbonylContact O-C 3.56Å; S522-V543 WeakPolarHBondContact O-CA 3.2Å; S522-V543 WeakPolarHBondContact O-CG1 3.4Å; S522-L544 PolarHBondContact N-O 3.19Å; S522-L544 PolarHBondContact O-N 2.94Å |
| 523 | I | 87.1 | Confident | 85.7 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 113.3 | 171.4 | -51.1 | 177.2 | 0 | 0 | 0 | 108.2 | L541 T542 I602 A611 T613 | I523-L541 HydrophobicContact CG2-CB 4.38Å; I523-T542 CarbonylContact C-O 3.6Å; I523-T542 WeakPolarHBondContact CA-O 3.39Å; I523-I602 HydrophobicContact CD1-CD1 3.95Å; I523-I602 HydrophobicContact CD1-CG1 3.97Å; I523-I602 HydrophobicContact CG1-CD1 4.09Å; I523-A611 HydrophobicContact CD1-CB 4.42Å; I523-A611 HydrophobicContact CG1-CB 3.82Å; I523-T613 HydrophobicContact CB-CG2 4.24Å; I523-T613 HydrophobicContact CD1-CG2 4.06Å; I523-T613 HydrophobicContact CG2-CG2 4.02Å |
| 524 | A | 85.7 | Confident | 85.4 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 50% | 0.496 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | -29.5 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | T542 L544 | A524-T542 PolarHBondContact N-O 3.41Å; A524-L544 HydrophobicContact CB-CD1 3.98Å; A524-L544 HydrophobicContact CB-CG 3.99Å |
| 525 | K | 87.8 | Confident | 85.2 | Confident | 115 Ų | 115 | 57.5 Ų | 57.5 | 50% | 0.5 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 140.1 | 178.1 | -169.8 | -178.3 | 179 | -161.5 | 0 | 110.8 | D527 L541 T542 | K525-D527 IonicContact NZ-OD2 2.72Å; K525-L541 WeakPolarHBondContact O-CA 3.42Å; K525-T542 PolarHBondContact O-N 2.96Å |
| 526 | A | 87.8 | Confident | 85.1 | Confident | 11 Ų | 11 | 60 Ų | 60 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.3 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | P528 L541 L600 T613 | A526-P528 CarbonylContact C-O 3.6Å; A526-L541 HydrophobicContact CB-CD2 3.62Å; A526-L600 HydrophobicContact CB-CD2 4.21Å; A526-T613 HydrophobicContact CB-CG2 4.35Å |
| 527 | D | 89 | Confident | 85.5 | Confident | 79 Ų | 79 | 61.4 Ų | 61.4 | 42% | 0.422 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 110.6 | -176.4 | -171.9 | 19.5 | 0 | 0 | 0 | 110.9 | K525 K540 | K525-D527 IonicContact NZ-OD2 2.72Å; D527-K540 HydrophobicContact CB-CB 4.47Å; D527-K540 PolarHBondContact N-O 2.7Å; D527-K540 PolarHBondContact O-N 3.19Å |
| 528 | P | 90 | Very high | 86 | Confident | 24 Ų | 24 | 62.4 Ų | 62.4 | 16% | 0.156 | 33% | 0.331 | C | S | . | . | S | Bend | cis | -68.6 | 169.8 | -9.9 | 31.8 | -37.4 | 0 | 0 | 0 | 113.2 | A526 I531 K537 L539 F615 | A526-P528 CarbonylContact C-O 3.6Å; P528-I531 HydrophobicContact CG-CG2 4.29Å; P528-K537 HydrophobicContact CG-CD 4.01Å; P528-L539 HydrophobicContact CG-CD2 3.94Å; P528-F615 WeakPolarHBondContact O-CE2 3.39Å |
| 529 | D | 87.1 | Confident | 86.4 | Confident | 92 Ų | 92 | 60.9 Ų | 60.9 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | trans | -104.9 | -15.7 | 179 | 62.9 | -23.8 | 0 | 0 | 0 | 114.3 | F615 T616 | D529-F615 WeakPolarHBondContact O-CA 3.23Å; D529-F615 WeakPolarHBondContact O-CD2 3.44Å; D529-T616 PolarHBondContact O-N 2.89Å | ||
| 530 | K | 89.3 | Confident | 86.8 | Confident | 71 Ų | 71 | 59.7 Ų | 59.7 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 147 | 179 | 65.6 | -171.6 | 179.4 | 177.4 | 0 | 112.6 | T616 Y618 Q633 | K530-T616 CarbonylContact C-O 3.56Å; K530-T616 WeakPolarHBondContact CA-O 3.24Å; K530-Y618 HydrophobicContact CB-CD1 4.49Å; K530-Y618 HydrophobicContact CB-CE1 4.48Å; K530-Y618 HydrophobicContact CG-CE1 4.4Å; K530-Q633 PolarHBondContact NZ-O 2.98Å |
| 531 | I | 89.5 | Confident | 87 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.041 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 155.2 | 177 | 55.6 | 164.8 | 0 | 0 | 0 | 112.4 | P528 T535 T580 F615 T616 F617 Y618 | P528-I531 HydrophobicContact CG-CG2 4.29Å; I531-T535 WeakPolarHBondContact CD1-O 3.17Å; I531-T580 HydrophobicContact CD1-CG2 3.89Å; I531-F615 HydrophobicContact CD1-CE1 3.97Å; I531-F615 HydrophobicContact CD1-CZ 3.97Å; I531-F615 HydrophobicContact CG1-CE1 3.77Å; I531-F615 HydrophobicContact CG1-CZ 3.74Å; I531-F615 HydrophobicContact CG2-CZ 4.24Å; I531-T616 PolarHBondContact N-O 3.43Å; I531-F617 HydrophobicContact CD1-CD1 3.79Å; I531-F617 HydrophobicContact CD1-CE1 3.54Å; I531-F617 HydrophobicContact CD1-CZ 4.48Å; I531-F617 HydrophobicContact CG1-CD1 3.84Å; I531-F617 HydrophobicContact CG1-CE1 4.04Å; I531-F617 CarbonylContact O-C 3.56Å; I531-F617 VanDerWaalsContact O-CA 3.31Å; I531-F617 WeakPolarHBondContact O-CA 3.47Å; I531-Y618 VanDerWaalsContact C-CD1 3.47Å; I531-Y618 WeakPolarHBondContact O-CD1 3.43Å; I531-Y618 PolarHBondContact O-N 3.28Å |
| 532 | Q | 88.8 | Confident | 87.3 | Confident | 20 Ų | 20 | 60.6 Ų | 60.6 | 9% | 0.093 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 138.5 | 167 | 172.6 | 69.1 | 3.5 | 0 | 0 | 109.6 | S534 T535 Y618 D619 A647 | Q532-S534 WeakPolarHBondContact CG-OG 3.09Å; Q532-S534 PolarHBondContact O-N 3.05Å; Q532-S534 VanDerWaalsContact O-N 3.08Å; Q532-T535 PolarHBondContact O-N 3.2Å; Q532-Y618 HydrophobicContact CB-CD2 4.3Å; Q532-Y618 HydrophobicContact CB-CE2 3.75Å; Q532-Y618 VanDerWaalsContact OE1-CE2 3.29Å; Q532-Y618 PolarHBondContact OE1-O 2.79Å; Q532-D619 PolarHBondContact NE2-OD1 3.42Å; Q532-A647 HydrophobicContact CB-CB 4.14Å; Q532-A647 HydrophobicContact CG-CB 3.58Å |
| 533 | I | 86.2 | Confident | 87.4 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 15% | 0.154 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.5 | -173.3 | -162.8 | 167.3 | 0 | 0 | 0 | 114 | L586 F617 Y618 D619 | I533-L586 HydrophobicContact CG1-CB 4.34Å; I533-L586 HydrophobicContact CG1-CD1 3.99Å; I533-F617 HydrophobicContact CB-CB 4.43Å; I533-F617 HydrophobicContact CG1-CB 4.34Å; I533-Y618 WeakPolarHBondContact CB-O 3.4Å; I533-Y618 PolarHBondContact N-O 2.96Å; I533-D619 HydrophobicContact CG2-CB 3.94Å |
| 534 | S | 81.9 | Confident | 87.3 | Confident | 78 Ų | 78 | 62.1 Ų | 62.1 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 12.1 | 176.9 | 57.8 | 0 | 0 | 0 | 0 | 114.8 | Q532 T583 | Q532-S534 WeakPolarHBondContact CG-OG 3.09Å; Q532-S534 PolarHBondContact O-N 3.05Å; Q532-S534 VanDerWaalsContact O-N 3.08Å; S534-T583 VanDerWaalsContact C-CG2 3.43Å |
| 535 | T | 83.8 | Confident | 87 | Confident | 66 Ų | 66 | 63.7 Ų | 63.7 | 41% | 0.405 | 32% | 0.324 | S | S | . | . | trans | -124.5 | 142.7 | -174.4 | -54 | 0 | 0 | 0 | 0 | 113.7 | I531 Q532 | I531-T535 WeakPolarHBondContact CD1-O 3.17Å; Q532-T535 PolarHBondContact O-N 3.2Å | ||
| 536 | T | 82 | Confident | 86.5 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 49% | 0.485 | 31% | 0.31 | S | S | . | . | trans | -111.9 | 135.4 | 175.4 | -48.5 | 0 | 0 | 0 | 0 | 111 | T580 | T536-T580 WeakPolarHBondContact CA-OG1 3.44Š| ||
| 537 | K | 86.1 | Confident | 85.8 | Confident | 108 Ų | 108 | 61 Ų | 61 | 47% | 0.47 | 31% | 0.314 | S | S | . | . | trans | -148 | 162.4 | -174.6 | -159.5 | 160.6 | 174.4 | 178.5 | 0 | 113.4 | P528 T580 | P528-K537 HydrophobicContact CG-CD 4.01Å; K537-T580 PolarHBondContact N-OG1 2.95Å; K537-T580 PolarHBondContact O-N 3.34Å; K537-T580 PolarHBondContact O-OG1 3.03Å | ||
| 538 | Y | 87.9 | Confident | 85 | Confident | 176 Ų | 176 | 62 Ų | 62 | 69% | 0.69 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 139.4 | 168.8 | -75.5 | -90.4 | 0 | 0 | 0 | 110.8 | C578 T579 | Y538-C578 WeakPolarHBondContact CA-O 3.21Å; Y538-T579 HydrophobicContact CD1-CG2 3.5Å; Y538-T579 HydrophobicContact CE1-CG2 3.3Å; Y538-T579 HydrophobicContact CE2-CG2 4.36Å; Y538-T579 HydrophobicContact CG-CG2 4.13Å |
| 539 | L | 89.8 | Confident | 84 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 142 | 177.7 | -52.6 | -169.3 | 0 | 0 | 0 | 111.4 | P528 L541 F557 S577 C578 T580 L600 F615 | P528-L539 HydrophobicContact CG-CD2 3.94Å; L539-L541 HydrophobicContact CB-CD2 4.31Å; L539-F557 HydrophobicContact CD1-CE1 3.77Å; L539-F557 HydrophobicContact CD1-CZ 3.56Å; L539-S577 WeakPolarHBondContact O-CA 3.18Å; L539-C578 PolarHBondContact N-O 3.1Å; L539-C578 PolarHBondContact O-N 3.4Å; L539-C578 VanDerWaalsContact O-N 3.14Å; L539-T580 HydrophobicContact CD1-CG2 4.15Å; L539-T580 HydrophobicContact CD2-CG2 3.86Å; L539-T580 HydrophobicContact CG-CG2 3.95Å; L539-L600 HydrophobicContact CD1-CD2 3.71Å; L539-F615 HydrophobicContact CD1-CD2 3.83Å; L539-F615 HydrophobicContact CD1-CE2 3.46Å; L539-F615 VanDerWaalsContact CD1-CE2 3.46Å; L539-F615 HydrophobicContact CD1-CZ 3.99Å; L539-F615 HydrophobicContact CD2-CE2 3.62Å; L539-F615 HydrophobicContact CD2-CZ 3.97Å; L539-F615 HydrophobicContact CG-CE2 4.21Å |
| 540 | K | 89.6 | Confident | 83.1 | Confident | 133 Ų | 133 | 65.5 Ų | 65.5 | 58% | 0.578 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 128.9 | 168.8 | -62.7 | 174.5 | -175.5 | 172.1 | 0 | 109.8 | D527 | D527-K540 HydrophobicContact CB-CB 4.47Å; D527-K540 PolarHBondContact N-O 2.7Å; D527-K540 PolarHBondContact O-N 3.19Å |
| 541 | L | 89.7 | Confident | 82.4 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 134.6 | -176.3 | -47.2 | -177.7 | 0 | 0 | 0 | 110.7 | I523 K525 A526 L539 L575 V576 L600 I602 | I523-L541 HydrophobicContact CG2-CB 4.38Å; K525-L541 WeakPolarHBondContact O-CA 3.42Å; A526-L541 HydrophobicContact CB-CD2 3.62Å; L539-L541 HydrophobicContact CB-CD2 4.31Å; L541-L575 WeakPolarHBondContact O-CA 3.43Å; L541-V576 HydrophobicContact CB-CB 4.28Å; L541-V576 PolarHBondContact N-O 2.75Å; L541-V576 PolarHBondContact O-N 3.29Å; L541-L600 HydrophobicContact CD2-CD2 3.79Å; L541-I602 HydrophobicContact CD1-CD1 3.98Å; L541-I602 HydrophobicContact CD1-CG1 4.05Å |
| 542 | T | 89.6 | Confident | 82 | Confident | 58 Ų | 58 | 69.7 Ų | 69.7 | 36% | 0.356 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 126 | 172.7 | -53.3 | 0 | 0 | 0 | 0 | 109.5 | I523 A524 K525 G574 | I523-T542 CarbonylContact C-O 3.6Å; I523-T542 WeakPolarHBondContact CA-O 3.39Å; A524-T542 PolarHBondContact N-O 3.41Å; K525-T542 PolarHBondContact O-N 2.96Å; T542-G574 WeakPolarHBondContact CA-O 3.1Å |
| 543 | V | 85.9 | Confident | 81.9 | Confident | 7 Ų | 7 | 69.5 Ų | 69.5 | 4% | 0.042 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.1 | -172.5 | -169.6 | 0 | 0 | 0 | 0 | 111.3 | T521 S522 L546 G574 V576 I602 | T521-V543 HydrophobicContact CG2-CG1 3.84Å; S522-V543 CarbonylContact O-C 3.56Å; S522-V543 WeakPolarHBondContact O-CA 3.2Å; S522-V543 WeakPolarHBondContact O-CG1 3.4Å; V543-L546 HydrophobicContact CG1-CB 4.19Å; V543-L546 HydrophobicContact CG1-CD1 4.13Å; V543-G574 PolarHBondContact N-O 3.14Å; V543-G574 WeakPolarHBondContact O-CA 3.32Å; V543-V576 HydrophobicContact CG2-CG2 4.13Å; V543-I602 HydrophobicContact CG2-CD1 3.67Å |
| 544 | L | 84.7 | Confident | 82 | Confident | 90 Ų | 90 | 68.6 Ų | 68.6 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 146.2 | 176.6 | -62 | 174.5 | 0 | 0 | 0 | 110.8 | T521 S522 A524 L546 | T521-L544 WeakPolarHBondContact CA-O 3.42Å; T521-L544 WeakPolarHBondContact CG2-O 3.47Å; S522-L544 PolarHBondContact N-O 3.19Å; S522-L544 PolarHBondContact O-N 2.94Å; A524-L544 HydrophobicContact CB-CD1 3.98Å; A524-L544 HydrophobicContact CB-CG 3.99Å; L544-L546 VanDerWaalsContact C-N 3.25Å; L544-L546 PolarHBondContact O-N 3.23Å |
| 545 | N | 80.2 | Confident | 82.4 | Confident | 93 Ų | 93 | 64.9 Ų | 64.9 | 50% | 0.497 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 50.4 | 42.3 | -179.8 | -50.6 | -39.5 | 0 | 0 | 0 | 113.1 | C520 T521 P547 | C520-N545 PolarHBondContact O-ND2 2.73Å; T521-N545 PolarHBondContact OG1-O 3.13Å; N545-P547 VanDerWaalsContact O-CD 3.29Å; N545-P547 WeakPolarHBondContact O-CD 3.49Å |
| 546 | L | 76.9 | Confident | 82.8 | Confident | 42 Ų | 42 | 61.8 Ų | 61.8 | 22% | 0.22 | 34% | 0.337 | C | S | . | . | trans | -71.5 | 115.6 | 176.4 | -177.4 | 68.2 | 0 | 0 | 0 | 109.5 | V543 L544 V549 F610 | V543-L546 HydrophobicContact CG1-CB 4.19Å; V543-L546 HydrophobicContact CG1-CD1 4.13Å; L544-L546 VanDerWaalsContact C-N 3.25Å; L544-L546 PolarHBondContact O-N 3.23Å; L546-V549 HydrophobicContact CD1-CG2 4.41Å; L546-F610 HydrophobicContact CD1-CE2 3.81Å; L546-F610 HydrophobicContact CD1-CZ 4.15Å | ||
| 547 | P | 72.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 58 Ų | 58 | 17% | 0.169 | 31% | 0.314 | C | S | . | . | trans | -69.1 | 165 | 174.2 | 30.8 | -36.7 | 0 | 0 | 0 | 111.2 | L498 N545 V549 | L498-P547 HydrophobicContact CD2-CG 3.74Å; L498-P547 HydrophobicContact CG-CG 4.13Å; N545-P547 VanDerWaalsContact O-CD 3.29Å; N545-P547 WeakPolarHBondContact O-CD 3.49Å; P547-V549 WeakPolarHBondContact O-CG2 3.35Å; P547-V549 PolarHBondContact O-N 3Å | ||
| 548 | A | 72.2 | Confident | 83.2 | Confident | 100 Ų | 100 | 54.2 Ų | 54.2 | 83% | 0.826 | 30% | 0.3 | S | S | * | . | trans | -65 | 122.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 549 | V | 69 | Low | 82.9 | Confident | 44 Ų | 44 | 46.2 Ų | 46.2 | 27% | 0.267 | 27% | 0.269 | S | S | . | . | trans | -107.6 | 134.5 | -175.9 | -171.1 | 0 | 0 | 0 | 0 | 110.3 | L498 L546 P547 L553 V604 | L498-V549 HydrophobicContact CD2-CG2 4.31Å; L546-V549 HydrophobicContact CD1-CG2 4.41Å; P547-V549 WeakPolarHBondContact O-CG2 3.35Å; P547-V549 PolarHBondContact O-N 3Å; V549-L553 HydrophobicContact CG1-CD2 4.41Å; V549-V604 HydrophobicContact CG1-CB 4.29Å; V549-V604 HydrophobicContact CG1-CG1 3.58Å; V549-V604 HydrophobicContact CG1-CG2 3.64Å | ||
| 550 | T | 69.2 | Low | 82.2 | Confident | 147 Ų | 147 | 49.7 Ų | 49.7 | 90% | 0.902 | 31% | 0.306 | S | S | * | . | trans | -115.3 | 32.1 | -178.3 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 551 | G | 73.9 | Confident | 81.5 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 31% | 0.309 | 32% | 0.318 | S | S | . | . | S | Bend | trans | -151.5 | 174.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | D605 | G551-D605 VanDerWaalsContact CA-OD2 3.26Å; G551-D605 WeakPolarHBondContact CA-OD2 3.3Å |
| 552 | Q | 81.8 | Confident | 81 | Confident | 137 Ų | 137 | 53.2 Ų | 53.2 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | trans | -79.1 | 122.6 | -178.9 | -174.5 | 173.6 | -0.8 | 0 | 0 | 111.3 | V604 D605 | Q552-V604 WeakPolarHBondContact O-CA 3.42Å; Q552-D605 PolarHBondContact N-OD1 2.63Å; Q552-D605 PolarHBondContact O-N 3.01Å | ||
| 553 | L | 85.7 | Confident | 80.8 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 8% | 0.079 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 148.5 | 176.3 | -69.5 | 163.4 | 0 | 0 | 0 | 111.5 | V549 A568 V576 I602 Q603 V604 F610 | V549-L553 HydrophobicContact CG1-CD2 4.41Å; L553-A568 HydrophobicContact CB-CB 3.99Å; L553-A568 PolarHBondContact O-N 3Å; L553-V576 HydrophobicContact CD1-CG2 4.42Å; L553-I602 HydrophobicContact CD2-CG2 3.85Å; L553-Q603 WeakPolarHBondContact CA-O 3.23Å; L553-V604 HydrophobicContact CD2-CG2 4.06Å; L553-F610 HydrophobicContact CD2-CE1 4.09Å; L553-F610 HydrophobicContact CD2-CZ 4.04Å |
| 554 | S | 89.2 | Confident | 80.9 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 8% | 0.084 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 151.5 | 168.1 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | T566 I602 Q603 | S554-T566 CarbonylContact C-O 3.52Å; S554-T566 VanDerWaalsContact CA-O 3.29Å; S554-T566 WeakPolarHBondContact CA-O 3.27Å; S554-T566 VanDerWaalsContact CB-O 3.29Å; S554-T566 WeakPolarHBondContact CB-O 3.31Å; S554-I602 WeakPolarHBondContact O-CA 3.45Å; S554-Q603 PolarHBondContact N-O 3.12Å; S554-Q603 PolarHBondContact O-N 2.89Å |
| 555 | C | 91.2 | Very high | 80.9 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 144.4 | 167.9 | -69.3 | 0 | 0 | 0 | 0 | 109.8 | F557 I565 T566 C578 L600 S601 | C555-F557 HydrophobicContact CB-CE2 4.22Å; C555-I565 WeakPolarHBondContact O-CA 3.33Å; C555-T566 PolarHBondContact N-O 2.58Å; C555-T566 PolarHBondContact O-N 3.25Å; C555-C578 HydrophobicContact CB-CB 3.63Å; C555-C578 WeakPolarHBondContact CB-SG 3.39Å; C555-C578 WeakPolarHBondContact SG-CB 3.17Å; C555-C578 CovalentContact SG-SG 2.03Å; C555-C578 PolarHBondContact SG-SG 3.49Å; C555-L600 HydrophobicContact CB-CD1 3.97Å; C555-S601 CarbonylContact C-O 3.57Å; C555-S601 VanDerWaalsContact CA-O 3.27Å; C555-S601 WeakPolarHBondContact CA-O 3.4Å |
| 556 | V | 90.3 | Very high | 81.3 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 131.1 | 175.2 | -169 | 0 | 0 | 0 | 0 | 109.2 | R563 H564 I565 L600 S601 Q603 | V556-R563 HydrophobicContact CG1-CB 3.89Å; V556-R563 HydrophobicContact CG1-CG 4.36Å; V556-H564 CarbonylContact C-O 3.57Å; V556-H564 WeakPolarHBondContact CA-O 3.47Å; V556-I565 HydrophobicContact CG1-CG1 4.12Å; V556-I565 HydrophobicContact CG2-CG1 4.12Å; V556-I565 HydrophobicContact CG2-CG2 4.45Å; V556-L600 CarbonylContact O-C 3.29Å; V556-L600 WeakPolarHBondContact O-CA 3.32Å; V556-S601 PolarHBondContact N-O 2.98Å; V556-S601 PolarHBondContact O-N 3.15Å; V556-S601 PolarHBondContact O-OG 2.93Å; V556-Q603 HydrophobicContact CG2-CB 4.41Å; V556-Q603 HydrophobicContact CG2-CG 3.77Å |
| 557 | F | 90.7 | Very high | 81.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 114.1 | 175.1 | -61.7 | -104.7 | 0 | 0 | 0 | 108.1 | L539 C555 R563 H564 T579 T580 P581 I599 L600 F615 F617 | L539-F557 HydrophobicContact CD1-CE1 3.77Å; L539-F557 HydrophobicContact CD1-CZ 3.56Å; C555-F557 HydrophobicContact CB-CE2 4.22Å; F557-R563 WeakPolarHBondContact O-CA 3.4Å; F557-H564 HydrophobicContact CB-CB 4.44Å; F557-H564 PolarHBondContact N-O 3.15Å; F557-H564 PolarHBondContact O-N 3.45Å; F557-T579 VanDerWaalsContact CE2-O 3.3Å; F557-T579 WeakPolarHBondContact CE2-O 3.36Å; F557-T580 HydrophobicContact CE1-CG2 4.29Å; F557-T580 HydrophobicContact CZ-CG2 4.15Å; F557-P581 HydrophobicContact CB-CG 3.83Å; F557-P581 HydrophobicContact CD1-CG 4.44Å; F557-P581 HydrophobicContact CD2-CG 3.74Å; F557-P581 HydrophobicContact CE2-CG 4.4Å; F557-P581 HydrophobicContact CG-CG 3.76Å; F557-I599 WeakPolarHBondContact CA-O 3.43Å; F557-L600 HydrophobicContact CD1-CB 4.49Å; F557-L600 HydrophobicContact CD1-CD1 4.19Å; F557-L600 HydrophobicContact CD2-CD1 4.31Å; F557-L600 HydrophobicContact CE1-CD1 3.84Å; F557-L600 HydrophobicContact CE1-CD2 4.34Å; F557-L600 HydrophobicContact CE1-CG 4.46Å; F557-L600 HydrophobicContact CE2-CD1 3.95Å; F557-L600 HydrophobicContact CG-CD1 4.43Å; F557-L600 HydrophobicContact CZ-CD1 3.71Å; F557-F615 AromaticContact CD1-CD1 3.89Å; F557-F615 HydrophobicContact CD1-CD1 3.89Å; F557-F615 HydrophobicContact CD1-CE1 4.3Å; F557-F615 HydrophobicContact CD1-CG 4.41Å; F557-F615 AromaticContact CE1-CD1 3.7Å; F557-F615 HydrophobicContact CE1-CD1 3.7Å; F557-F615 HydrophobicContact CE1-CD2 4.49Å; F557-F615 AromaticContact CE1-CE1 3.85Å; F557-F615 HydrophobicContact CE1-CE1 3.85Å; F557-F615 HydrophobicContact CE1-CG 4.05Å; F557-F615 HydrophobicContact CE1-CZ 4.31Å; F557-F617 HydrophobicContact CD1-CE2 4.3Å; F557-F617 HydrophobicContact CD1-CZ 4.16Å |
| 558 | T | 87.4 | Confident | 82.2 | Confident | 29 Ų | 29 | 52.8 Ų | 52.8 | 18% | 0.178 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 119.8 | -179 | -52.9 | 0 | 0 | 0 | 0 | 110 | K562 R563 S598 I599 | T558-K562 CarbonylContact C-O 3.59Å; T558-K562 WeakPolarHBondContact CA-O 3.11Å; T558-R563 HydrophobicContact CG2-CG 4.04Å; T558-S598 CarbonylContact O-C 3.24Å; T558-S598 VanDerWaalsContact O-CA 3.22Å; T558-S598 WeakPolarHBondContact O-CA 3.08Å; T558-S598 WeakPolarHBondContact O-CB 3.36Å; T558-I599 PolarHBondContact N-O 3.25Å; T558-I599 PolarHBondContact O-N 2.96Å |
| 559 | I | 81 | Confident | 82.6 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 4% | 0.036 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 109.2 | -178.4 | -61.2 | 173.5 | 0 | 0 | 0 | 107.7 | S561 K562 L586 I596 F617 | I559-S561 PolarHBondContact O-N 3.35Å; I559-S561 VanDerWaalsContact O-N 3.12Å; I559-K562 PolarHBondContact N-O 3.09Å; I559-K562 PolarHBondContact O-N 2.8Å; I559-L586 HydrophobicContact CD1-CD2 3.48Å; I559-L586 VanDerWaalsContact CD1-CD2 3.48Å; I559-I596 HydrophobicContact CG2-CD1 3.44Å; I559-I596 VanDerWaalsContact CG2-CD1 3.44Å; I559-I596 HydrophobicContact CG2-CG1 4.01Å; I559-F617 HydrophobicContact CD1-CD2 3.97Å; I559-F617 HydrophobicContact CD1-CE2 3.76Å; I559-F617 HydrophobicContact CD1-CZ 4.44Å; I559-F617 HydrophobicContact CG1-CE2 4.5Å |
| 560 | G | 75.2 | Confident | 82.9 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 76% | 0.763 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | -117.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 561 | S | 74.4 | Confident | 82.8 | Confident | 120 Ų | 120 | 49.1 Ų | 49.1 | 84% | 0.839 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 2.6 | 176.5 | 66.5 | 0 | 0 | 0 | 0 | 114.6 | I559 | I559-S561 PolarHBondContact O-N 3.35Å; I559-S561 VanDerWaalsContact O-N 3.12Å |
| 562 | K | 80.4 | Confident | 82.6 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 135.7 | -179.2 | -65.8 | -171.1 | 179.6 | -172.8 | 0 | 111.1 | T558 I559 Q587 | T558-K562 CarbonylContact C-O 3.59Å; T558-K562 WeakPolarHBondContact CA-O 3.11Å; I559-K562 PolarHBondContact N-O 3.09Å; I559-K562 PolarHBondContact O-N 2.8Å; K562-Q587 HydrophobicContact CD-CG 4.06Å; K562-Q587 VanDerWaalsContact CE-CD 3.43Å; K562-Q587 VanDerWaalsContact CE-OE1 3.32Å |
| 563 | R | 85 | Confident | 81.9 | Confident | 118 Ų | 118 | 52.4 Ų | 52.4 | 45% | 0.445 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 129 | 175.1 | -64.1 | 179.2 | 81 | -139 | 2.2 | 109.5 | V556 F557 T558 D609 | V556-R563 HydrophobicContact CG1-CB 3.89Å; V556-R563 HydrophobicContact CG1-CG 4.36Å; F557-R563 WeakPolarHBondContact O-CA 3.4Å; T558-R563 HydrophobicContact CG2-CG 4.04Å; R563-D609 IonicContact CZ-OD2 2.8Å; R563-D609 IonicContact NE-OD2 3.35Å; R563-D609 IonicContact NH2-OD1 3.77Å; R563-D609 PolarHBondContact NH2-OD1 3.28Å; R563-D609 IonicContact NH2-OD2 3.81Å; R563-D609 PolarHBondContact NH2-OD2 2.95Å |
| 564 | H | 86.7 | Confident | 81.4 | Confident | 22 Ų | 22 | 52.6 Ų | 52.6 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.2 | 177.1 | -57.1 | -82.3 | 0 | 0 | 0 | 109.5 | V556 F557 P581 L585 | V556-H564 CarbonylContact C-O 3.57Å; V556-H564 WeakPolarHBondContact CA-O 3.47Å; F557-H564 HydrophobicContact CB-CB 4.44Å; F557-H564 PolarHBondContact N-O 3.15Å; F557-H564 PolarHBondContact O-N 3.45Å; H564-P581 HydrophobicContact CB-CB 3.79Å; H564-P581 HydrophobicContact CB-CG 3.53Å; H564-L585 PolarHBondContact CE1-O 3.01Å |
| 565 | I | 86.4 | Confident | 81.1 | Confident | 86 Ų | 86 | 55 Ų | 55 | 44% | 0.441 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 134.4 | -171.7 | -53.6 | 178.3 | 0 | 0 | 0 | 110 | C555 V556 | C555-I565 WeakPolarHBondContact O-CA 3.33Å; V556-I565 HydrophobicContact CG1-CG1 4.12Å; V556-I565 HydrophobicContact CG2-CG1 4.12Å; V556-I565 HydrophobicContact CG2-CG2 4.45Å |
| 566 | T | 86.9 | Confident | 80.9 | Confident | 14 Ų | 14 | 55 Ų | 55 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 142 | 173.6 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | S554 C555 T579 | S554-T566 CarbonylContact C-O 3.52Å; S554-T566 VanDerWaalsContact CA-O 3.29Å; S554-T566 WeakPolarHBondContact CA-O 3.27Å; S554-T566 VanDerWaalsContact CB-O 3.29Å; S554-T566 WeakPolarHBondContact CB-O 3.31Å; C555-T566 PolarHBondContact N-O 2.58Å; C555-T566 PolarHBondContact O-N 3.25Å; T566-T579 VanDerWaalsContact CB-O 3.29Å; T566-T579 WeakPolarHBondContact CB-O 3.2Å; T566-T579 WeakPolarHBondContact CB-OG1 3.35Å; T566-T579 VanDerWaalsContact CG2-O 3.27Å; T566-T579 WeakPolarHBondContact CG2-O 3.43Å; T566-T579 PolarHBondContact OG1-O 2.79Å |
| 567 | G | 83.8 | Confident | 80.8 | Confident | 48 Ų | 48 | 56.8 Ų | 56.8 | 50% | 0.495 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 142.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | C578 | G567-C578 WeakPolarHBondContact O-CB 3.31Å |
| 568 | A | 85.5 | Confident | 80.7 | Confident | 18 Ų | 18 | 57 Ų | 57 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 154.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L553 V576 S577 C578 | L553-A568 HydrophobicContact CB-CB 3.99Å; L553-A568 PolarHBondContact O-N 3Å; A568-V576 HydrophobicContact CB-CG1 3.9Å; A568-S577 CarbonylContact C-O 3.59Å; A568-S577 WeakPolarHBondContact CA-O 3.5Å; A568-C578 HydrophobicContact CB-CB 3.84Å |
| 569 | S | 81.9 | Confident | 80.9 | Confident | 70 Ų | 70 | 57.6 Ų | 57.6 | 49% | 0.49 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.1 | 173.9 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | P571 V576 S577 | S569-P571 VanDerWaalsContact O-CD 3.28Å; S569-P571 WeakPolarHBondContact O-CD 3.17Å; S569-V576 CarbonylContact O-C 3.5Å; S569-V576 WeakPolarHBondContact O-CA 3.04Å; S569-S577 PolarHBondContact N-O 3.13Å; S569-S577 PolarHBondContact O-N 2.84Å |
| 570 | S | 74.6 | Confident | 81.2 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 38% | 0.378 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 84.7 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | S572 L575 | S570-S572 PolarHBondContact O-N 3.13Å; S570-S572 PolarHBondContact OG-O 3.28Å; S570-L575 WeakPolarHBondContact CA-O 3.38Å; S570-L575 PolarHBondContact OG-O 2.93Å |
| 571 | P | 67.8 | Low | 81.7 | Confident | 90 Ų | 90 | 54.1 Ų | 54.1 | 58% | 0.584 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.6 | -16.7 | -176.6 | 26.9 | -36.7 | 0 | 0 | 0 | 114.6 | S569 L575 | S569-P571 VanDerWaalsContact O-CD 3.28Å; S569-P571 WeakPolarHBondContact O-CD 3.17Å; P571-L575 WeakPolarHBondContact CD-O 3.3Å; P571-L575 HydrophobicContact CG-CD2 4.23Å |
| 572 | S | 68.4 | Low | 82.1 | Confident | 63 Ų | 63 | 54.5 Ų | 54.5 | 44% | 0.441 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.9 | 161.8 | 177.5 | 56.7 | 0 | 0 | 0 | 0 | 111.6 | S570 G574 L575 | S570-S572 PolarHBondContact O-N 3.13Å; S570-S572 PolarHBondContact OG-O 3.28Å; S572-G574 PolarHBondContact O-N 2.84Å; S572-L575 PolarHBondContact O-N 2.85Å; S572-L575 VanDerWaalsContact O-N 3.1Å; S572-L575 WeakPolarHBondContact OG-CB 3.47Å |
| 573 | N | 68.6 | Low | 82 | Confident | 174 Ų | 174 | 53.3 Ų | 53.3 | 93% | 0.93 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | 114.1 | 175.6 | -81.5 | -0.2 | 0 | 0 | 0 | 110.7 | ||
| 574 | G | 74 | Confident | 81.7 | Confident | 18 Ų | 18 | 53.5 Ų | 53.5 | 19% | 0.186 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 6.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | T542 V543 S572 | T542-G574 WeakPolarHBondContact CA-O 3.1Å; V543-G574 PolarHBondContact N-O 3.14Å; V543-G574 WeakPolarHBondContact O-CA 3.32Å; S572-G574 PolarHBondContact O-N 2.84Å |
| 575 | L | 83.8 | Confident | 81.1 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 128.7 | 175.9 | -155.2 | 79.4 | 0 | 0 | 0 | 111.6 | L541 S570 P571 S572 | L541-L575 WeakPolarHBondContact O-CA 3.43Å; S570-L575 WeakPolarHBondContact CA-O 3.38Å; S570-L575 PolarHBondContact OG-O 2.93Å; P571-L575 WeakPolarHBondContact CD-O 3.3Å; P571-L575 HydrophobicContact CG-CD2 4.23Å; S572-L575 PolarHBondContact O-N 2.85Å; S572-L575 VanDerWaalsContact O-N 3.1Å; S572-L575 WeakPolarHBondContact OG-CB 3.47Å |
| 576 | V | 85.9 | Confident | 80.6 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 142.2 | 178.7 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | L541 V543 L553 A568 S569 I602 | L541-V576 HydrophobicContact CB-CB 4.28Å; L541-V576 PolarHBondContact N-O 2.75Å; L541-V576 PolarHBondContact O-N 3.29Å; V543-V576 HydrophobicContact CG2-CG2 4.13Å; L553-V576 HydrophobicContact CD1-CG2 4.42Å; A568-V576 HydrophobicContact CB-CG1 3.9Å; S569-V576 CarbonylContact O-C 3.5Å; S569-V576 WeakPolarHBondContact O-CA 3.04Å; V576-I602 HydrophobicContact CB-CD1 4.37Å; V576-I602 HydrophobicContact CG1-CD1 4.41Å; V576-I602 HydrophobicContact CG2-CD1 4.31Å |
| 577 | S | 88.2 | Confident | 79.9 | Confident | 38 Ų | 38 | 56.7 Ų | 56.7 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.9 | -177.1 | -174.8 | 0 | 0 | 0 | 0 | 111.4 | L539 A568 S569 | L539-S577 WeakPolarHBondContact O-CA 3.18Å; A568-S577 CarbonylContact C-O 3.59Å; A568-S577 WeakPolarHBondContact CA-O 3.5Å; S569-S577 PolarHBondContact N-O 3.13Å; S569-S577 PolarHBondContact O-N 2.84Å |
| 578 | C | 89.5 | Confident | 79.5 | Confident | 4 Ų | 4 | 60.1 Ų | 60.1 | 3% | 0.027 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 176.2 | -178.3 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | Y538 L539 C555 G567 A568 | Y538-C578 WeakPolarHBondContact CA-O 3.21Å; L539-C578 PolarHBondContact N-O 3.1Å; L539-C578 PolarHBondContact O-N 3.4Å; L539-C578 VanDerWaalsContact O-N 3.14Å; C555-C578 HydrophobicContact CB-CB 3.63Å; C555-C578 WeakPolarHBondContact CB-SG 3.39Å; C555-C578 WeakPolarHBondContact SG-CB 3.17Å; C555-C578 CovalentContact SG-SG 2.03Å; C555-C578 PolarHBondContact SG-SG 3.49Å; G567-C578 WeakPolarHBondContact O-CB 3.31Å; A568-C578 HydrophobicContact CB-CB 3.84Å |
| 579 | T | 90.2 | Very high | 79.2 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 26% | 0.258 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 159.6 | 175.5 | 55.4 | 0 | 0 | 0 | 0 | 112.1 | Y538 F557 T566 | Y538-T579 HydrophobicContact CD1-CG2 3.5Å; Y538-T579 HydrophobicContact CE1-CG2 3.3Å; Y538-T579 HydrophobicContact CE2-CG2 4.36Å; Y538-T579 HydrophobicContact CG-CG2 4.13Å; F557-T579 VanDerWaalsContact CE2-O 3.3Å; F557-T579 WeakPolarHBondContact CE2-O 3.36Å; T566-T579 VanDerWaalsContact CB-O 3.29Å; T566-T579 WeakPolarHBondContact CB-O 3.2Å; T566-T579 WeakPolarHBondContact CB-OG1 3.35Å; T566-T579 VanDerWaalsContact CG2-O 3.27Å; T566-T579 WeakPolarHBondContact CG2-O 3.43Å; T566-T579 PolarHBondContact OG1-O 2.79Å |
| 580 | T | 88.2 | Confident | 79 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 3% | 0.025 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -74.7 | 164.2 | 165.5 | 62.2 | 0 | 0 | 0 | 0 | 111.5 | I531 T536 K537 L539 F557 F615 | I531-T580 HydrophobicContact CD1-CG2 3.89Å; T536-T580 WeakPolarHBondContact CA-OG1 3.44Å; K537-T580 PolarHBondContact N-OG1 2.95Å; K537-T580 PolarHBondContact O-N 3.34Å; K537-T580 PolarHBondContact O-OG1 3.03Å; L539-T580 HydrophobicContact CD1-CG2 4.15Å; L539-T580 HydrophobicContact CD2-CG2 3.86Å; L539-T580 HydrophobicContact CG-CG2 3.95Å; F557-T580 HydrophobicContact CE1-CG2 4.29Å; F557-T580 HydrophobicContact CZ-CG2 4.15Å; T580-F615 HydrophobicContact CG2-CE1 4.24Å; T580-F615 HydrophobicContact CG2-CZ 3.84Å |
| 581 | P | 85.9 | Confident | 78.9 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 3% | 0.026 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 160.8 | 172.5 | -22.7 | 36.2 | 0 | 0 | 0 | 112.5 | F557 H564 L586 F617 | F557-P581 HydrophobicContact CB-CG 3.83Å; F557-P581 HydrophobicContact CD1-CG 4.44Å; F557-P581 HydrophobicContact CD2-CG 3.74Å; F557-P581 HydrophobicContact CE2-CG 4.4Å; F557-P581 HydrophobicContact CG-CG 3.76Å; H564-P581 HydrophobicContact CB-CB 3.79Å; H564-P581 HydrophobicContact CB-CG 3.53Å; P581-L586 HydrophobicContact CB-CD2 4.34Å; P581-F617 HydrophobicContact CG-CZ 4.49Å |
| 582 | Q | 82.7 | Confident | 79.1 | Confident | 128 Ų | 128 | 62.5 Ų | 62.5 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -73 | 146.4 | 168.9 | -58 | -174.8 | -83.3 | 0 | 0 | 110.5 | D584 L585 | Q582-D584 VanDerWaalsContact C-N 3.33Å; Q582-D584 WeakPolarHBondContact CB-OD1 3.32Å; Q582-D584 PolarHBondContact O-N 2.81Å; Q582-L585 HydrophobicContact CB-CD1 4.25Å; Q582-L585 WeakPolarHBondContact O-CB 3.45Å; Q582-L585 PolarHBondContact O-N 3.01Å |
| 583 | T | 78 | Confident | 79.8 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -69.1 | -27.8 | -168.7 | 48.4 | 0 | 0 | 0 | 0 | 113.8 | S534 L585 L586 | S534-T583 VanDerWaalsContact C-CG2 3.43Å; T583-L585 PolarHBondContact O-N 2.87Å; T583-L586 PolarHBondContact O-N 2.92Å |
| 584 | D | 79 | Confident | 80.6 | Confident | 122 Ų | 122 | 58.7 Ų | 58.7 | 65% | 0.652 | 36% | 0.356 | S | S | * | . | G | 310 helix | trans | -67.6 | -16.5 | 175.3 | 62.4 | -48.7 | 0 | 0 | 0 | 113.8 | Q582 | Q582-D584 VanDerWaalsContact C-N 3.33Å; Q582-D584 WeakPolarHBondContact CB-OD1 3.32Å; Q582-D584 PolarHBondContact O-N 2.81Å |
| 585 | L | 74.1 | Confident | 81.3 | Confident | 80 Ų | 80 | 59 Ų | 59 | 42% | 0.419 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -91.5 | -15.8 | -179.8 | -58.8 | 173 | 0 | 0 | 0 | 113.3 | H564 Q582 T583 | H564-L585 PolarHBondContact CE1-O 3.01Å; Q582-L585 HydrophobicContact CB-CD1 4.25Å; Q582-L585 WeakPolarHBondContact O-CB 3.45Å; Q582-L585 PolarHBondContact O-N 3.01Å; T583-L585 PolarHBondContact O-N 2.87Å |
| 586 | L | 75.7 | Confident | 81.5 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 13% | 0.131 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -80.7 | 150.4 | -176.4 | -59.7 | 174.5 | 0 | 0 | 0 | 111.8 | I533 I559 P581 T583 F617 | I533-L586 HydrophobicContact CG1-CB 4.34Å; I533-L586 HydrophobicContact CG1-CD1 3.99Å; I559-L586 HydrophobicContact CD1-CD2 3.48Å; I559-L586 VanDerWaalsContact CD1-CD2 3.48Å; P581-L586 HydrophobicContact CB-CD2 4.34Å; T583-L586 PolarHBondContact O-N 2.92Å; L586-F617 HydrophobicContact CD1-CD1 3.84Å; L586-F617 HydrophobicContact CD1-CE1 3.7Å; L586-F617 HydrophobicContact CD1-CZ 4.47Å; L586-F617 HydrophobicContact CD2-CE1 4.2Å; L586-F617 HydrophobicContact CD2-CZ 4.17Å |
| 587 | Q | 73 | Confident | 81.5 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 39% | 0.393 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -92.6 | 151.1 | 178.4 | -68.5 | -172.4 | -93.5 | 0 | 0 | 112.3 | K562 | K562-Q587 HydrophobicContact CD-CG 4.06Å; K562-Q587 VanDerWaalsContact CE-CD 3.43Å; K562-Q587 VanDerWaalsContact CE-OE1 3.32Å |
| 588 | P | 74.8 | Confident | 81.5 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 78% | 0.779 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 150.3 | 169.8 | -20 | 32.3 | 0 | 0 | 0 | 112.4 | ||
| 589 | L | 80 | Confident | 81.5 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 16% | 0.162 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 148.7 | 178 | -65.5 | 178.9 | 0 | 0 | 0 | 112.9 | I596 D619 T622 | L589-I596 HydrophobicContact CD2-CB 3.52Å; L589-I596 HydrophobicContact CD2-CG2 3.52Å; L589-D619 HydrophobicContact CD1-CB 3.6Å; L589-T622 HydrophobicContact CD1-CG2 3.92Å |
| 590 | P | 77.4 | Confident | 81.5 | Confident | 63 Ų | 63 | 61.4 Ų | 61.4 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 150.7 | 170.9 | -24.8 | 36.5 | 0 | 0 | 0 | 113.6 | G592 E593 | P590-G592 PolarHBondContact O-N 3.02Å; P590-G592 VanDerWaalsContact O-N 3.08Å; P590-E593 HydrophobicContact CB-CB 4.36Å; P590-E593 HydrophobicContact CB-CG 4.18Å; P590-E593 WeakPolarHBondContact CD-OE2 3.25Å; P590-E593 WeakPolarHBondContact CG-OE2 3.32Å; P590-E593 PolarHBondContact O-N 2.9Å |
| 591 | A | 72.3 | Confident | 81.6 | Confident | 115 Ų | 115 | 61.3 Ų | 61.3 | 95% | 0.95 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 111.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 592 | G | 71.9 | Confident | 81.7 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 76% | 0.763 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103 | -5.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | P590 | P590-G592 PolarHBondContact O-N 3.02Å; P590-G592 VanDerWaalsContact O-N 3.08Å |
| 593 | E | 82.5 | Confident | 81.9 | Confident | 97 Ų | 97 | 55 Ų | 55 | 45% | 0.453 | 34% | 0.337 | S | S | . | . | trans | -97.1 | 144.6 | 172.2 | -67.1 | -174.8 | -178.8 | 0 | 0 | 111.4 | P590 | P590-E593 HydrophobicContact CB-CB 4.36Å; P590-E593 HydrophobicContact CB-CG 4.18Å; P590-E593 WeakPolarHBondContact CD-OE2 3.25Å; P590-E593 WeakPolarHBondContact CG-OE2 3.32Å; P590-E593 PolarHBondContact O-N 2.9Å | ||
| 594 | H | 86.1 | Confident | 82.1 | Confident | 60 Ų | 60 | 52.7 Ų | 52.7 | 28% | 0.278 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -105.3 | -12.5 | -176.7 | -61.1 | -66.1 | 0 | 0 | 0 | 113.8 | D619 T622 F623 | H594-D619 PolarHBondContact O-N 3.3Å; H594-D619 VanDerWaalsContact O-N 3.1Å; H594-T622 WeakPolarHBondContact CA-OG1 3.33Å; H594-T622 WeakPolarHBondContact ND1-CB 3.38Å; H594-T622 PolarHBondContact ND1-OG1 2.89Å; H594-F623 HydrophobicContact CB-CE1 3.76Å; H594-F623 HydrophobicContact CB-CE2 4.25Å; H594-F623 HydrophobicContact CB-CZ 3.56Å; H594-F623 AromaticContact CD2-CE1 3.6Å; H594-F623 AromaticContact CE1-CD1 3.5Å; H594-F623 VanDerWaalsContact CE1-CD1 3.5Å; H594-F623 WeakPolarHBondContact CE1-CD1 3.25Å; H594-F623 AromaticContact CE1-CE1 3.8Å; H594-F623 AromaticContact CG-CD1 3.83Å; H594-F623 AromaticContact CG-CE1 3.33Å; H594-F623 AromaticContact CG-CZ 3.69Å; H594-F623 AromaticContact ND1-CD1 3.43Å; H594-F623 WeakPolarHBondContact ND1-CD1 3.49Å; H594-F623 AromaticContact ND1-CE1 3.45Å; H594-F623 WeakPolarHBondContact ND1-CE1 3.46Å; H594-F623 AromaticContact ND1-CG 3.93Å; H594-F623 AromaticContact ND1-CZ 3.95Å; H594-F623 AromaticContact NE2-CD1 3.9Å; H594-F623 AromaticContact NE2-CE1 3.88Å |
| 595 | A | 88.6 | Confident | 82 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 20% | 0.198 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 157.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | T616 F617 F634 | A595-T616 HydrophobicContact CB-CG2 3.94Å; A595-F617 CarbonylContact C-O 3.58Å; A595-F617 WeakPolarHBondContact CA-O 3.04Å; A595-F617 WeakPolarHBondContact CB-O 3.1Å; A595-F634 HydrophobicContact CB-CE1 4.13Å; A595-F634 HydrophobicContact CB-CE2 3.8Å; A595-F634 HydrophobicContact CB-CZ 3.32Å |
| 596 | I | 86.8 | Confident | 81.8 | Confident | 35 Ų | 35 | 53.9 Ų | 53.9 | 18% | 0.179 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 122.6 | 176.2 | -169 | 161.1 | 0 | 0 | 0 | 109.8 | I559 L589 F617 | I559-I596 HydrophobicContact CG2-CD1 3.44Å; I559-I596 VanDerWaalsContact CG2-CD1 3.44Å; I559-I596 HydrophobicContact CG2-CG1 4.01Å; L589-I596 HydrophobicContact CD2-CB 3.52Å; L589-I596 HydrophobicContact CD2-CG2 3.52Å; I596-F617 HydrophobicContact CG2-CB 3.95Å; I596-F617 PolarHBondContact N-O 3.27Å; I596-F617 PolarHBondContact O-N 3.45Å |
| 597 | T | 86.5 | Confident | 81.6 | Confident | 77 Ų | 77 | 55 Ų | 55 | 47% | 0.472 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 120.6 | 176.2 | -58.9 | 0 | 0 | 0 | 0 | 109.6 | N614 T616 | T597-N614 HydrophobicContact CG2-CB 3.73Å; T597-T616 PolarHBondContact OG1-OG1 3.08Å |
| 598 | S | 88 | Confident | 81.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 153.7 | 169.7 | 72.1 | 0 | 0 | 0 | 0 | 111 | T558 F615 F617 | T558-S598 CarbonylContact O-C 3.24Å; T558-S598 VanDerWaalsContact O-CA 3.22Å; T558-S598 WeakPolarHBondContact O-CA 3.08Å; T558-S598 WeakPolarHBondContact O-CB 3.36Å; S598-F615 WeakPolarHBondContact CA-O 3.34Å; S598-F615 WeakPolarHBondContact CB-O 3.47Å; S598-F615 PolarHBondContact N-O 2.97Å; S598-F615 PolarHBondContact O-N 3.29Å; S598-F615 PolarHBondContact OG-O 3.4Å; S598-F617 WeakPolarHBondContact OG-CE2 3.14Å |
| 599 | I | 89.4 | Confident | 82 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 44% | 0.441 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 114.5 | 165.5 | -57.2 | 175 | 0 | 0 | 0 | 107.1 | F557 T558 A612 | F557-I599 WeakPolarHBondContact CA-O 3.43Å; T558-I599 PolarHBondContact N-O 3.25Å; T558-I599 PolarHBondContact O-N 2.96Å; I599-A612 HydrophobicContact CG2-CB 3.89Å |
| 600 | L | 91.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 114.3 | 171.9 | 168.9 | 57.3 | 0 | 0 | 0 | 108.9 | A526 L539 L541 C555 V556 F557 A612 T613 F615 | A526-L600 HydrophobicContact CB-CD2 4.21Å; L539-L600 HydrophobicContact CD1-CD2 3.71Å; L541-L600 HydrophobicContact CD2-CD2 3.79Å; C555-L600 HydrophobicContact CB-CD1 3.97Å; V556-L600 CarbonylContact O-C 3.29Å; V556-L600 WeakPolarHBondContact O-CA 3.32Å; F557-L600 HydrophobicContact CD1-CB 4.49Å; F557-L600 HydrophobicContact CD1-CD1 4.19Å; F557-L600 HydrophobicContact CD2-CD1 4.31Å; F557-L600 HydrophobicContact CE1-CD1 3.84Å; F557-L600 HydrophobicContact CE1-CD2 4.34Å; F557-L600 HydrophobicContact CE1-CG 4.46Å; F557-L600 HydrophobicContact CE2-CD1 3.95Å; F557-L600 HydrophobicContact CG-CD1 4.43Å; F557-L600 HydrophobicContact CZ-CD1 3.71Å; L600-A612 CarbonylContact O-C 3.59Å; L600-A612 VanDerWaalsContact O-CA 3.28Å; L600-A612 WeakPolarHBondContact O-CA 3.49Å; L600-T613 HydrophobicContact CB-CG2 4.28Å; L600-T613 HydrophobicContact CD2-CG2 4.35Å; L600-T613 HydrophobicContact CG-CG2 4.43Å; L600-T613 PolarHBondContact N-O 2.95Å; L600-T613 PolarHBondContact O-N 3.06Å; L600-F615 HydrophobicContact CB-CB 3.72Å; L600-F615 HydrophobicContact CD2-CB 4.21Å; L600-F615 HydrophobicContact CD2-CD2 4.16Å; L600-F615 HydrophobicContact CD2-CG 4.38Å |
| 601 | S | 90 | Very high | 82.1 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.007 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 165.8 | 179.5 | 51.6 | 0 | 0 | 0 | 0 | 113.3 | C555 V556 D609 A611 | C555-S601 CarbonylContact C-O 3.57Å; C555-S601 VanDerWaalsContact CA-O 3.27Å; C555-S601 WeakPolarHBondContact CA-O 3.4Å; V556-S601 PolarHBondContact N-O 2.98Å; V556-S601 PolarHBondContact O-N 3.15Å; V556-S601 PolarHBondContact O-OG 2.93Å; S601-D609 VanDerWaalsContact CB-OD1 3.26Å; S601-D609 WeakPolarHBondContact CB-OD1 3.1Å; S601-D609 PolarHBondContact OG-OD1 3.38Å; S601-A611 CarbonylContact C-O 3.56Å; S601-A611 WeakPolarHBondContact CA-O 3.42Å; S601-A611 WeakPolarHBondContact CB-O 3.38Å |
| 602 | I | 88.3 | Confident | 82.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 134.3 | 174.4 | -48.9 | 171.9 | 0 | 0 | 0 | 108.5 | I523 L541 V543 L553 S554 V576 F610 A611 | I523-I602 HydrophobicContact CD1-CD1 3.95Å; I523-I602 HydrophobicContact CD1-CG1 3.97Å; I523-I602 HydrophobicContact CG1-CD1 4.09Å; L541-I602 HydrophobicContact CD1-CD1 3.98Å; L541-I602 HydrophobicContact CD1-CG1 4.05Å; V543-I602 HydrophobicContact CG2-CD1 3.67Å; L553-I602 HydrophobicContact CD2-CG2 3.85Å; S554-I602 WeakPolarHBondContact O-CA 3.45Å; V576-I602 HydrophobicContact CB-CD1 4.37Å; V576-I602 HydrophobicContact CG1-CD1 4.41Å; V576-I602 HydrophobicContact CG2-CD1 4.31Å; I602-F610 HydrophobicContact CB-CE1 3.93Å; I602-F610 HydrophobicContact CB-CE2 4.47Å; I602-F610 HydrophobicContact CB-CZ 3.87Å; I602-F610 HydrophobicContact CG2-CE1 3.59Å; I602-F610 HydrophobicContact CG2-CZ 3.52Å; I602-F610 WeakPolarHBondContact O-CD1 3.38Å; I602-F610 WeakPolarHBondContact O-CE1 3.44Å; I602-F610 PolarHBondContact O-N 3.49Å; I602-A611 PolarHBondContact N-O 2.87Å |
| 603 | Q | 85.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 160.6 | 176.2 | 63.2 | 170.8 | 26.3 | 0 | 0 | 111 | L553 S554 V556 N606 | L553-Q603 WeakPolarHBondContact CA-O 3.23Å; S554-Q603 PolarHBondContact N-O 3.12Å; S554-Q603 PolarHBondContact O-N 2.89Å; V556-Q603 HydrophobicContact CG2-CB 4.41Å; V556-Q603 HydrophobicContact CG2-CG 3.77Å; Q603-N606 PolarHBondContact NE2-OD1 3.21Å |
| 604 | V | 82 | Confident | 84 | Confident | 12 Ų | 12 | 42.3 Ų | 42.3 | 7% | 0.073 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.3 | 172.5 | -171.8 | 0 | 0 | 0 | 0 | 108.6 | L498 V549 Q552 L553 N606 S607 F610 | L498-V604 HydrophobicContact CD2-CG2 4.25Å; V549-V604 HydrophobicContact CG1-CB 4.29Å; V549-V604 HydrophobicContact CG1-CG1 3.58Å; V549-V604 HydrophobicContact CG1-CG2 3.64Å; Q552-V604 WeakPolarHBondContact O-CA 3.42Å; L553-V604 HydrophobicContact CD2-CG2 4.06Å; V604-N606 VanDerWaalsContact C-N 3.26Å; V604-N606 PolarHBondContact O-N 3.11Å; V604-N606 VanDerWaalsContact O-N 3.12Å; V604-S607 PolarHBondContact N-OG 3.48Å; V604-S607 WeakPolarHBondContact O-CB 3.15Å; V604-S607 PolarHBondContact O-N 3.34Å; V604-S607 PolarHBondContact O-OG 3.01Å; V604-F610 HydrophobicContact CG2-CD1 3.99Å; V604-F610 HydrophobicContact CG2-CE1 3.55Å; V604-F610 HydrophobicContact CG2-CZ 4.42Å |
| 605 | D | 77.5 | Confident | 84.2 | Confident | 104 Ų | 104 | 39.4 Ų | 39.4 | 56% | 0.556 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51 | 38.1 | 175.4 | -57.2 | -39.4 | 0 | 0 | 0 | 114.8 | G551 Q552 S607 | G551-D605 VanDerWaalsContact CA-OD2 3.26Å; G551-D605 WeakPolarHBondContact CA-OD2 3.3Å; Q552-D605 PolarHBondContact N-OD1 2.63Å; Q552-D605 PolarHBondContact O-N 3.01Å; D605-S607 VanDerWaalsContact C-N 3.28Å; D605-S607 PolarHBondContact O-N 2.9Å |
| 606 | N | 69.9 | Low | 84.3 | Confident | 122 Ų | 122 | 39.6 Ų | 39.6 | 65% | 0.652 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | 27.2 | -172.4 | -62.2 | -42.3 | 0 | 0 | 0 | 115.3 | Q603 V604 | Q603-N606 PolarHBondContact NE2-OD1 3.21Å; V604-N606 VanDerWaalsContact C-N 3.26Å; V604-N606 PolarHBondContact O-N 3.11Å; V604-N606 VanDerWaalsContact O-N 3.12Å |
| 607 | S | 71.4 | Confident | 84.5 | Confident | 48 Ų | 48 | 38 Ų | 38 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | trans | -77.1 | -166.1 | 170.5 | 78.6 | 0 | 0 | 0 | 0 | 112.8 | V604 D605 | V604-S607 PolarHBondContact N-OG 3.48Å; V604-S607 WeakPolarHBondContact O-CB 3.15Å; V604-S607 PolarHBondContact O-N 3.34Å; V604-S607 PolarHBondContact O-OG 3.01Å; D605-S607 VanDerWaalsContact C-N 3.28Å; D605-S607 PolarHBondContact O-N 2.9Å | ||
| 608 | A | 74.8 | Confident | 84.6 | Confident | 43 Ų | 43 | 35 Ų | 35 | 36% | 0.355 | 21% | 0.206 | S | C | . | . | trans | -72.7 | 159.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S500 F610 | S500-A608 WeakPolarHBondContact OG-CB 3.3Å; S500-A608 PolarHBondContact OG-O 2.89Å; A608-F610 PolarHBondContact O-N 3.32Å; A608-F610 VanDerWaalsContact O-N 3.16Å | ||
| 609 | D | 80.8 | Confident | 84.7 | Confident | 52 Ų | 52 | 36.6 Ų | 36.6 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | trans | -74.5 | 94.3 | -176.9 | -70 | -48.6 | 0 | 0 | 0 | 112.2 | S500 R563 S601 | S500-D609 WeakPolarHBondContact CB-O 3.46Å; S500-D609 PolarHBondContact OG-O 3Å; R563-D609 IonicContact CZ-OD2 2.8Å; R563-D609 IonicContact NE-OD2 3.35Å; R563-D609 IonicContact NH2-OD1 3.77Å; R563-D609 PolarHBondContact NH2-OD1 3.28Å; R563-D609 IonicContact NH2-OD2 3.81Å; R563-D609 PolarHBondContact NH2-OD2 2.95Å; S601-D609 VanDerWaalsContact CB-OD1 3.26Å; S601-D609 WeakPolarHBondContact CB-OD1 3.1Å; S601-D609 PolarHBondContact OG-OD1 3.38Å | ||
| 610 | F | 78.4 | Confident | 84.7 | Confident | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.039 | 19% | 0.194 | C | C | . | . | trans | -84.7 | -18.5 | -167.9 | 71.8 | -97.9 | 0 | 0 | 0 | 115.5 | S497 L498 S500 T521 L546 L553 I602 V604 A608 | S497-F610 WeakPolarHBondContact O-CB 3.25Å; L498-F610 HydrophobicContact CD2-CG 4.46Å; S500-F610 WeakPolarHBondContact OG-CA 3.22Å; S500-F610 WeakPolarHBondContact OG-CB 3.36Å; S500-F610 PolarHBondContact OG-N 2.93Å; S500-F610 VanDerWaalsContact OG-N 3.15Å; T521-F610 HydrophobicContact CG2-CD2 4.29Å; T521-F610 HydrophobicContact CG2-CE2 4.4Å; L546-F610 HydrophobicContact CD1-CE2 3.81Å; L546-F610 HydrophobicContact CD1-CZ 4.15Å; L553-F610 HydrophobicContact CD2-CE1 4.09Å; L553-F610 HydrophobicContact CD2-CZ 4.04Å; I602-F610 HydrophobicContact CB-CE1 3.93Å; I602-F610 HydrophobicContact CB-CE2 4.47Å; I602-F610 HydrophobicContact CB-CZ 3.87Å; I602-F610 HydrophobicContact CG2-CE1 3.59Å; I602-F610 HydrophobicContact CG2-CZ 3.52Å; I602-F610 WeakPolarHBondContact O-CD1 3.38Å; I602-F610 WeakPolarHBondContact O-CE1 3.44Å; I602-F610 PolarHBondContact O-N 3.49Å; V604-F610 HydrophobicContact CG2-CD1 3.99Å; V604-F610 HydrophobicContact CG2-CE1 3.55Å; V604-F610 HydrophobicContact CG2-CZ 4.42Å; A608-F610 PolarHBondContact O-N 3.32Å; A608-F610 VanDerWaalsContact O-N 3.16Å | ||
| 611 | A | 82 | Confident | 84.6 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 4% | 0.041 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 138.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.3 | T521 I523 S601 I602 | T521-A611 HydrophobicContact CG2-CB 4.33Å; I523-A611 HydrophobicContact CD1-CB 4.42Å; I523-A611 HydrophobicContact CG1-CB 3.82Å; S601-A611 CarbonylContact C-O 3.56Å; S601-A611 WeakPolarHBondContact CA-O 3.42Å; S601-A611 WeakPolarHBondContact CB-O 3.38Å; I602-A611 PolarHBondContact N-O 2.87Å |
| 612 | A | 87.5 | Confident | 84.5 | Confident | 55 Ų | 55 | 36.8 Ų | 36.8 | 46% | 0.455 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 154 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I599 L600 | I599-A612 HydrophobicContact CG2-CB 3.89Å; L600-A612 CarbonylContact O-C 3.59Å; L600-A612 VanDerWaalsContact O-CA 3.28Å; L600-A612 WeakPolarHBondContact O-CA 3.49Å |
| 613 | T | 90 | Very high | 84.5 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 26% | 0.264 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 167.9 | 172.1 | -166.6 | 0 | 0 | 0 | 0 | 110.6 | I523 A526 L600 | I523-T613 HydrophobicContact CB-CG2 4.24Å; I523-T613 HydrophobicContact CD1-CG2 4.06Å; I523-T613 HydrophobicContact CG2-CG2 4.02Å; A526-T613 HydrophobicContact CB-CG2 4.35Å; L600-T613 HydrophobicContact CB-CG2 4.28Å; L600-T613 HydrophobicContact CD2-CG2 4.35Å; L600-T613 HydrophobicContact CG-CG2 4.43Å; L600-T613 PolarHBondContact N-O 2.95Å; L600-T613 PolarHBondContact O-N 3.06Å |
| 614 | N | 89.2 | Confident | 84.5 | Confident | 111 Ų | 111 | 44.4 Ų | 44.4 | 59% | 0.594 | 26% | 0.255 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 137.2 | 176.1 | -71 | -5.4 | 0 | 0 | 0 | 110.3 | T597 | T597-N614 HydrophobicContact CG2-CB 3.73Å |
| 615 | F | 91 | Very high | 84.8 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 124.9 | 176 | 179.1 | -87.1 | 0 | 0 | 0 | 109.6 | P528 D529 I531 L539 F557 T580 S598 L600 F617 | P528-F615 WeakPolarHBondContact O-CE2 3.39Å; D529-F615 WeakPolarHBondContact O-CA 3.23Å; D529-F615 WeakPolarHBondContact O-CD2 3.44Å; I531-F615 HydrophobicContact CD1-CE1 3.97Å; I531-F615 HydrophobicContact CD1-CZ 3.97Å; I531-F615 HydrophobicContact CG1-CE1 3.77Å; I531-F615 HydrophobicContact CG1-CZ 3.74Å; I531-F615 HydrophobicContact CG2-CZ 4.24Å; L539-F615 HydrophobicContact CD1-CD2 3.83Å; L539-F615 HydrophobicContact CD1-CE2 3.46Å; L539-F615 VanDerWaalsContact CD1-CE2 3.46Å; L539-F615 HydrophobicContact CD1-CZ 3.99Å; L539-F615 HydrophobicContact CD2-CE2 3.62Å; L539-F615 HydrophobicContact CD2-CZ 3.97Å; L539-F615 HydrophobicContact CG-CE2 4.21Å; F557-F615 AromaticContact CD1-CD1 3.89Å; F557-F615 HydrophobicContact CD1-CD1 3.89Å; F557-F615 HydrophobicContact CD1-CE1 4.3Å; F557-F615 HydrophobicContact CD1-CG 4.41Å; F557-F615 AromaticContact CE1-CD1 3.7Å; F557-F615 HydrophobicContact CE1-CD1 3.7Å; F557-F615 HydrophobicContact CE1-CD2 4.49Å; F557-F615 AromaticContact CE1-CE1 3.85Å; F557-F615 HydrophobicContact CE1-CE1 3.85Å; F557-F615 HydrophobicContact CE1-CG 4.05Å; F557-F615 HydrophobicContact CE1-CZ 4.31Å; T580-F615 HydrophobicContact CG2-CE1 4.24Å; T580-F615 HydrophobicContact CG2-CZ 3.84Å; S598-F615 WeakPolarHBondContact CA-O 3.34Å; S598-F615 WeakPolarHBondContact CB-O 3.47Å; S598-F615 PolarHBondContact N-O 2.97Å; S598-F615 PolarHBondContact O-N 3.29Å; S598-F615 PolarHBondContact OG-O 3.4Å; L600-F615 HydrophobicContact CB-CB 3.72Å; L600-F615 HydrophobicContact CD2-CB 4.21Å; L600-F615 HydrophobicContact CD2-CD2 4.16Å; L600-F615 HydrophobicContact CD2-CG 4.38Å; F615-F617 HydrophobicContact CD1-CD2 4.29Å; F615-F617 AromaticContact CD1-CE2 3.78Å; F615-F617 HydrophobicContact CD1-CE2 3.78Å; F615-F617 HydrophobicContact CD1-CZ 4.04Å; F615-F617 HydrophobicContact CE1-CD2 4.42Å; F615-F617 HydrophobicContact CE1-CE1 4.08Å; F615-F617 AromaticContact CE1-CE2 3.92Å; F615-F617 HydrophobicContact CE1-CE2 3.92Å; F615-F617 AromaticContact CE1-CZ 3.73Å; F615-F617 HydrophobicContact CE1-CZ 3.73Å |
| 616 | T | 90.5 | Very high | 85.4 | Confident | 27 Ų | 27 | 41.2 Ų | 41.2 | 17% | 0.166 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.8 | -164.8 | -58.7 | 0 | 0 | 0 | 0 | 113.8 | D529 K530 I531 A595 T597 F634 | D529-T616 PolarHBondContact O-N 2.89Å; K530-T616 CarbonylContact C-O 3.56Å; K530-T616 WeakPolarHBondContact CA-O 3.24Å; I531-T616 PolarHBondContact N-O 3.43Å; A595-T616 HydrophobicContact CB-CG2 3.94Å; T597-T616 PolarHBondContact OG1-OG1 3.08Å; T616-F634 HydrophobicContact CG2-CE1 4.22Å |
| 617 | F | 89.5 | Confident | 86.3 | Confident | 1 Ų | 1 | 39.3 Ų | 39.3 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 127.9 | 167.8 | -61.6 | -94 | 0 | 0 | 0 | 109.1 | I531 I533 F557 I559 P581 L586 A595 I596 S598 F615 | I531-F617 HydrophobicContact CD1-CD1 3.79Å; I531-F617 HydrophobicContact CD1-CE1 3.54Å; I531-F617 HydrophobicContact CD1-CZ 4.48Å; I531-F617 HydrophobicContact CG1-CD1 3.84Å; I531-F617 HydrophobicContact CG1-CE1 4.04Å; I531-F617 CarbonylContact O-C 3.56Å; I531-F617 VanDerWaalsContact O-CA 3.31Å; I531-F617 WeakPolarHBondContact O-CA 3.47Å; I533-F617 HydrophobicContact CB-CB 4.43Å; I533-F617 HydrophobicContact CG1-CB 4.34Å; F557-F617 HydrophobicContact CD1-CE2 4.3Å; F557-F617 HydrophobicContact CD1-CZ 4.16Å; I559-F617 HydrophobicContact CD1-CD2 3.97Å; I559-F617 HydrophobicContact CD1-CE2 3.76Å; I559-F617 HydrophobicContact CD1-CZ 4.44Å; I559-F617 HydrophobicContact CG1-CE2 4.5Å; P581-F617 HydrophobicContact CG-CZ 4.49Å; L586-F617 HydrophobicContact CD1-CD1 3.84Å; L586-F617 HydrophobicContact CD1-CE1 3.7Å; L586-F617 HydrophobicContact CD1-CZ 4.47Å; L586-F617 HydrophobicContact CD2-CE1 4.2Å; L586-F617 HydrophobicContact CD2-CZ 4.17Å; A595-F617 CarbonylContact C-O 3.58Å; A595-F617 WeakPolarHBondContact CA-O 3.04Å; A595-F617 WeakPolarHBondContact CB-O 3.1Å; I596-F617 HydrophobicContact CG2-CB 3.95Å; I596-F617 PolarHBondContact N-O 3.27Å; I596-F617 PolarHBondContact O-N 3.45Å; S598-F617 WeakPolarHBondContact OG-CE2 3.14Å; F615-F617 HydrophobicContact CD1-CD2 4.29Å; F615-F617 AromaticContact CD1-CE2 3.78Å; F615-F617 HydrophobicContact CD1-CE2 3.78Å; F615-F617 HydrophobicContact CD1-CZ 4.04Å; F615-F617 HydrophobicContact CE1-CD2 4.42Å; F615-F617 HydrophobicContact CE1-CE1 4.08Å; F615-F617 AromaticContact CE1-CE2 3.92Å; F615-F617 HydrophobicContact CE1-CE2 3.92Å; F615-F617 AromaticContact CE1-CZ 3.73Å; F615-F617 HydrophobicContact CE1-CZ 3.73Å |
| 618 | Y | 90.1 | Very high | 87.1 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 161.8 | 178.8 | 61.9 | -99.1 | 0 | 0 | 0 | 112.7 | K530 I531 Q532 I533 F634 | K530-Y618 HydrophobicContact CB-CD1 4.49Å; K530-Y618 HydrophobicContact CB-CE1 4.48Å; K530-Y618 HydrophobicContact CG-CE1 4.4Å; I531-Y618 VanDerWaalsContact C-CD1 3.47Å; I531-Y618 WeakPolarHBondContact O-CD1 3.43Å; I531-Y618 PolarHBondContact O-N 3.28Å; Q532-Y618 HydrophobicContact CB-CD2 4.3Å; Q532-Y618 HydrophobicContact CB-CE2 3.75Å; Q532-Y618 VanDerWaalsContact OE1-CE2 3.29Å; Q532-Y618 PolarHBondContact OE1-O 2.79Å; I533-Y618 WeakPolarHBondContact CB-O 3.4Å; I533-Y618 PolarHBondContact N-O 2.96Å; Y618-F634 HydrophobicContact CD1-CB 4.15Å; Y618-F634 AromaticContact CD1-CD1 3.29Å; Y618-F634 HydrophobicContact CD1-CD1 3.29Å; Y618-F634 AromaticContact CD1-CE1 3.87Å; Y618-F634 HydrophobicContact CD1-CE1 3.87Å; Y618-F634 AromaticContact CD1-CG 3.88Å; Y618-F634 HydrophobicContact CD1-CG 3.88Å; Y618-F634 HydrophobicContact CD2-CB 3.68Å; Y618-F634 HydrophobicContact CD2-CD1 4.17Å; Y618-F634 HydrophobicContact CD2-CD2 4.49Å; Y618-F634 AromaticContact CD2-CG 3.88Å; Y618-F634 HydrophobicContact CD2-CG 3.88Å; Y618-F634 HydrophobicContact CE1-CB 4.25Å; Y618-F634 AromaticContact CE1-CD1 3.94Å; Y618-F634 HydrophobicContact CE1-CD1 3.94Å; Y618-F634 HydrophobicContact CE1-CG 4.43Å; Y618-F634 HydrophobicContact CE2-CB 3.82Å; Y618-F634 HydrophobicContact CE2-CG 4.45Å; Y618-F634 HydrophobicContact CG-CB 3.85Å; Y618-F634 AromaticContact CG-CD1 3.42Å; Y618-F634 HydrophobicContact CG-CD1 3.42Å; Y618-F634 VanDerWaalsContact CG-CD1 3.42Å; Y618-F634 HydrophobicContact CG-CD2 4.2Å; Y618-F634 AromaticContact CG-CE1 3.97Å; Y618-F634 HydrophobicContact CG-CE1 3.97Å; Y618-F634 AromaticContact CG-CG 3.55Å; Y618-F634 HydrophobicContact CG-CG 3.55Å |
| 619 | D | 89.9 | Confident | 87.9 | Confident | 34 Ų | 34 | 39.2 Ų | 39.2 | 18% | 0.182 | 21% | 0.214 | C | C | . | . | trans | -136.6 | 110.6 | 170 | -178.3 | 11.9 | 0 | 0 | 0 | 111.6 | Q532 I533 L589 H594 S621 T622 | Q532-D619 PolarHBondContact NE2-OD1 3.42Å; I533-D619 HydrophobicContact CG2-CB 3.94Å; L589-D619 HydrophobicContact CD1-CB 3.6Å; H594-D619 PolarHBondContact O-N 3.3Å; H594-D619 VanDerWaalsContact O-N 3.1Å; D619-S621 VanDerWaalsContact CG-OG 3.27Å; D619-S621 PolarHBondContact O-N 3.28Å; D619-S621 WeakPolarHBondContact OD1-CB 3.46Å; D619-S621 PolarHBondContact OD1-N 2.73Å; D619-S621 PolarHBondContact OD1-OG 3.06Å; D619-S621 PolarHBondContact OD2-OG 3.04Å; D619-T622 HydrophobicContact CB-CG2 4.24Å; D619-T622 PolarHBondContact O-N 3.28Å; D619-T622 PolarHBondContact O-OG1 3.09Å | ||
| 620 | C | 90 | Very high | 88.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -57.9 | -29.1 | 176.6 | -58.3 | 0 | 0 | 0 | 0 | 113.9 | T622 F623 C636 C645 A647 | C620-T622 PolarHBondContact O-N 2.77Å; C620-F623 WeakPolarHBondContact O-CD2 3.44Å; C620-F623 PolarHBondContact O-N 3.22Å; C620-C636 WeakPolarHBondContact CA-SG 3.47Å; C620-C636 HydrophobicContact CB-CB 3.64Å; C620-C636 WeakPolarHBondContact CB-SG 3.48Å; C620-C636 WeakPolarHBondContact SG-CA 3.44Å; C620-C636 WeakPolarHBondContact SG-CB 3.39Å; C620-C636 CovalentContact SG-SG 2.03Å; C620-C636 PolarHBondContact SG-SG 3.44Å; C620-C645 WeakPolarHBondContact O-CB 3.42Å; C620-C645 PolarHBondContact O-SG 2.98Å; C620-A647 HydrophobicContact CB-CB 4.32Å; C620-A647 VanDerWaalsContact SG-CB 3.59Å |
| 621 | S | 87.9 | Confident | 88.8 | Confident | 63 Ų | 63 | 39.7 Ų | 39.7 | 44% | 0.441 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -60.8 | -17.4 | -175.9 | 86.8 | 0 | 0 | 0 | 0 | 114.5 | D619 K624 C645 | D619-S621 VanDerWaalsContact CG-OG 3.27Å; D619-S621 PolarHBondContact O-N 3.28Å; D619-S621 WeakPolarHBondContact OD1-CB 3.46Å; D619-S621 PolarHBondContact OD1-N 2.73Å; D619-S621 PolarHBondContact OD1-OG 3.06Å; D619-S621 PolarHBondContact OD2-OG 3.04Å; S621-K624 PolarHBondContact O-NZ 3.14Å; S621-C645 WeakPolarHBondContact CA-O 3.33Å |
| 622 | T | 88.3 | Confident | 89 | Confident | 27 Ų | 27 | 40 Ų | 40 | 17% | 0.166 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -75.9 | -28.8 | -176.7 | 60.1 | 0 | 0 | 0 | 0 | 113.7 | L589 H594 D619 C620 K624 | L589-T622 HydrophobicContact CD1-CG2 3.92Å; H594-T622 WeakPolarHBondContact CA-OG1 3.33Å; H594-T622 WeakPolarHBondContact ND1-CB 3.38Å; H594-T622 PolarHBondContact ND1-OG1 2.89Å; D619-T622 HydrophobicContact CB-CG2 4.24Å; D619-T622 PolarHBondContact O-N 3.28Å; D619-T622 PolarHBondContact O-OG1 3.09Å; C620-T622 PolarHBondContact O-N 2.77Å; T622-K624 WeakPolarHBondContact O-CE 3.06Å |
| 623 | F | 89.1 | Confident | 89 | Confident | 15 Ų | 15 | 43.8 Ų | 43.8 | 7% | 0.066 | 23% | 0.23 | C | C | . | . | trans | -71.3 | 133.3 | -179.4 | -60.8 | -72.3 | 0 | 0 | 0 | 111.6 | H594 C620 Q628 C629 F634 C645 | H594-F623 HydrophobicContact CB-CE1 3.76Å; H594-F623 HydrophobicContact CB-CE2 4.25Å; H594-F623 HydrophobicContact CB-CZ 3.56Å; H594-F623 AromaticContact CD2-CE1 3.6Å; H594-F623 AromaticContact CE1-CD1 3.5Å; H594-F623 VanDerWaalsContact CE1-CD1 3.5Å; H594-F623 WeakPolarHBondContact CE1-CD1 3.25Å; H594-F623 AromaticContact CE1-CE1 3.8Å; H594-F623 AromaticContact CG-CD1 3.83Å; H594-F623 AromaticContact CG-CE1 3.33Å; H594-F623 AromaticContact CG-CZ 3.69Å; H594-F623 AromaticContact ND1-CD1 3.43Å; H594-F623 WeakPolarHBondContact ND1-CD1 3.49Å; H594-F623 AromaticContact ND1-CE1 3.45Å; H594-F623 WeakPolarHBondContact ND1-CE1 3.46Å; H594-F623 AromaticContact ND1-CG 3.93Å; H594-F623 AromaticContact ND1-CZ 3.95Å; H594-F623 AromaticContact NE2-CD1 3.9Å; H594-F623 AromaticContact NE2-CE1 3.88Å; C620-F623 WeakPolarHBondContact O-CD2 3.44Å; C620-F623 PolarHBondContact O-N 3.22Å; F623-Q628 HydrophobicContact CB-CB 4.33Å; F623-Q628 HydrophobicContact CD1-CB 4.05Å; F623-C629 HydrophobicContact CB-CB 4.02Å; F623-F634 HydrophobicContact CE2-CD2 4.15Å; F623-F634 AromaticContact CZ-CD2 3.94Å; F623-F634 HydrophobicContact CZ-CD2 3.94Å; F623-F634 HydrophobicContact CZ-CE2 4.25Å; F623-C645 HydrophobicContact CB-CB 4.04Å | ||
| 624 | K | 85.2 | Confident | 88.9 | Confident | 147 Ų | 147 | 42.1 Ų | 42.1 | 64% | 0.639 | 22% | 0.219 | S | C | * | . | trans | -110.3 | -16.3 | -169.9 | -57.9 | -52.3 | 174.4 | -156.6 | 0 | 115.3 | S621 T622 W638 | S621-K624 PolarHBondContact O-NZ 3.14Å; T622-K624 WeakPolarHBondContact O-CE 3.06Å; K624-W638 WeakPolarHBondContact O-CH2 3.14Å | ||
| 625 | T | 88.4 | Confident | 88.7 | Confident | 44 Ų | 44 | 39.7 Ų | 39.7 | 27% | 0.27 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -113.9 | 156 | 170.3 | 66.4 | 0 | 0 | 0 | 0 | 111.3 | Q627 Q628 C629 D764 | T625-Q627 VanDerWaalsContact C-N 3.31Å; T625-Q627 PolarHBondContact O-N 3.35Å; T625-Q628 PolarHBondContact O-N 2.88Å; T625-Q628 WeakPolarHBondContact OG1-CB 3.46Å; T625-Q628 WeakPolarHBondContact OG1-CG 3.45Å; T625-Q628 PolarHBondContact OG1-N 2.81Å; T625-C629 PolarHBondContact O-N 3.46Å; T625-C629 VanDerWaalsContact O-N 3.12Å; T625-D764 VanDerWaalsContact CB-OD1 3.23Å; T625-D764 WeakPolarHBondContact CB-OD1 3.4Å; T625-D764 WeakPolarHBondContact CG2-OD1 3.5Å |
| 626 | C | 90.3 | Very high | 88.7 | Confident | 4 Ų | 4 | 39.7 Ų | 39.7 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -57.4 | -49 | 176.1 | -179.9 | 0 | 0 | 0 | 0 | 110.3 | Q628 C629 V630 W638 C676 | C626-Q628 PolarHBondContact O-N 2.83Å; C626-C629 PolarHBondContact O-N 3.39Å; C626-V630 WeakPolarHBondContact O-CG2 3.21Å; C626-V630 PolarHBondContact O-N 2.76Å; C626-W638 HydrophobicContact CB-CD2 4.01Å; C626-W638 HydrophobicContact CB-CG 4Å; C626-W638 HydrophobicContact CB-CZ2 4.31Å; C626-W638 VanDerWaalsContact SG-CD1 3.51Å; C626-C676 HydrophobicContact CB-CB 3.63Å; C626-C676 WeakPolarHBondContact CB-SG 3.46Å; C626-C676 WeakPolarHBondContact SG-CA 3.21Å; C626-C676 WeakPolarHBondContact SG-CB 3.31Å; C626-C676 CovalentContact SG-SG 2.04Å; C626-C676 PolarHBondContact SG-SG 3.24Å |
| 627 | Q | 88.3 | Confident | 88.7 | Confident | 82 Ų | 82 | 38.9 Ų | 38.9 | 38% | 0.383 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.4 | -44.2 | -179.7 | -173.3 | 171 | -10.4 | 0 | 0 | 112 | T625 C629 T631 P673 C676 D764 | T625-Q627 VanDerWaalsContact C-N 3.31Å; T625-Q627 PolarHBondContact O-N 3.35Å; Q627-C629 PolarHBondContact O-N 2.89Å; Q627-T631 HydrophobicContact CG-CG2 4.31Å; Q627-T631 WeakPolarHBondContact O-CB 3.43Å; Q627-T631 WeakPolarHBondContact O-CG2 3.28Å; Q627-T631 PolarHBondContact O-N 3.33Å; Q627-T631 VanDerWaalsContact O-N 3.17Å; Q627-T631 PolarHBondContact O-OG1 3.38Å; Q627-P673 HydrophobicContact CG-CB 4.35Å; Q627-C676 PolarHBondContact N-SG 3.1Å; Q627-D764 WeakPolarHBondContact CB-OD2 3.34Å; Q627-D764 PolarHBondContact N-OD2 3.31Å |
| 628 | Q | 88.6 | Confident | 88.8 | Confident | 90 Ų | 90 | 39.4 Ų | 39.4 | 42% | 0.421 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.4 | -42.7 | 177.9 | -78.9 | 173.1 | -8.4 | 0 | 0 | 113.1 | F623 T625 C626 S632 | F623-Q628 HydrophobicContact CB-CB 4.33Å; F623-Q628 HydrophobicContact CD1-CB 4.05Å; T625-Q628 PolarHBondContact O-N 2.88Å; T625-Q628 WeakPolarHBondContact OG1-CB 3.46Å; T625-Q628 WeakPolarHBondContact OG1-CG 3.45Å; T625-Q628 PolarHBondContact OG1-N 2.81Å; C626-Q628 PolarHBondContact O-N 2.83Å; Q628-S632 PolarHBondContact O-N 3.21Å |
| 629 | C | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.9 | -57.7 | -178.9 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | F623 T625 C626 Q627 T631 S632 D637 W638 C645 | F623-C629 HydrophobicContact CB-CB 4.02Å; T625-C629 PolarHBondContact O-N 3.46Å; T625-C629 VanDerWaalsContact O-N 3.12Å; C626-C629 PolarHBondContact O-N 3.39Å; Q627-C629 PolarHBondContact O-N 2.89Å; C629-T631 PolarHBondContact O-N 3.48Å; C629-S632 VanDerWaalsContact O-CB 3.26Å; C629-S632 WeakPolarHBondContact O-CB 3.29Å; C629-S632 PolarHBondContact O-N 3.25Å; C629-S632 PolarHBondContact O-OG 3.34Å; C629-D637 PolarHBondContact SG-O 3.04Å; C629-D637 VanDerWaalsContact SG-O 3.33Å; C629-W638 HydrophobicContact CB-CB 4.25Å; C629-W638 HydrophobicContact CB-CD2 4.46Å; C629-W638 HydrophobicContact CB-CE3 3.71Å; C629-W638 HydrophobicContact CB-CZ3 4.47Å; C629-C645 HydrophobicContact CB-CB 3.7Å; C629-C645 WeakPolarHBondContact CB-SG 3.31Å; C629-C645 WeakPolarHBondContact SG-CB 3.33Å; C629-C645 CovalentContact SG-SG 2.03Å; C629-C645 PolarHBondContact SG-SG 3.38Å |
| 630 | V | 89.8 | Confident | 88.6 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -82.3 | -13 | -168.8 | -51.5 | 0 | 0 | 0 | 0 | 114 | C626 W638 I659 L662 P673 | C626-V630 WeakPolarHBondContact O-CG2 3.21Å; C626-V630 PolarHBondContact O-N 2.76Å; V630-W638 HydrophobicContact CG1-CB 3.84Å; V630-I659 HydrophobicContact CG1-CB 4.33Å; V630-I659 HydrophobicContact CG1-CG2 3.95Å; V630-I659 WeakPolarHBondContact CG1-O 3.18Å; V630-L662 PolarHBondContact O-N 3.06Å; V630-P673 HydrophobicContact CG2-CB 4.08Å |
| 631 | T | 88.4 | Confident | 88.4 | Confident | 70 Ų | 70 | 42.3 Ų | 42.3 | 43% | 0.429 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.1 | 3.7 | 168.4 | 69.6 | 0 | 0 | 0 | 0 | 113.5 | Q627 C629 P673 | Q627-T631 HydrophobicContact CG-CG2 4.31Å; Q627-T631 WeakPolarHBondContact O-CB 3.43Å; Q627-T631 WeakPolarHBondContact O-CG2 3.28Å; Q627-T631 PolarHBondContact O-N 3.33Å; Q627-T631 VanDerWaalsContact O-N 3.17Å; Q627-T631 PolarHBondContact O-OG1 3.38Å; C629-T631 PolarHBondContact O-N 3.48Å; T631-P673 HydrophobicContact CG2-CB 3.68Å; T631-P673 HydrophobicContact CG2-CG 3.62Å |
| 632 | S | 87.1 | Confident | 88.3 | Confident | 13 Ų | 13 | 41.5 Ų | 41.5 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -63.3 | 158.9 | 175.7 | 71.7 | 0 | 0 | 0 | 0 | 111.3 | Q628 C629 F634 N663 | Q628-S632 PolarHBondContact O-N 3.21Å; C629-S632 VanDerWaalsContact O-CB 3.26Å; C629-S632 WeakPolarHBondContact O-CB 3.29Å; C629-S632 PolarHBondContact O-N 3.25Å; C629-S632 PolarHBondContact O-OG 3.34Å; S632-F634 PolarHBondContact O-N 2.71Å; S632-N663 PolarHBondContact O-ND2 3.06Å |
| 633 | Q | 87.3 | Confident | 88.2 | Confident | 133 Ų | 133 | 41.9 Ų | 41.9 | 62% | 0.621 | 22% | 0.215 | S | C | * | . | S | Bend | trans | -77.6 | 10.4 | 175.7 | 66.7 | -179.6 | -3.4 | 0 | 0 | 113.5 | K530 | K530-Q633 PolarHBondContact NZ-O 2.98Š|
| 634 | F | 87.1 | Confident | 88.2 | Confident | 8 Ų | 8 | 46.9 Ų | 46.9 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -118.5 | 168.2 | -172.7 | -53.2 | -56.8 | 0 | 0 | 0 | 109.8 | A595 T616 Y618 F623 S632 C636 N663 | A595-F634 HydrophobicContact CB-CE1 4.13Å; A595-F634 HydrophobicContact CB-CE2 3.8Å; A595-F634 HydrophobicContact CB-CZ 3.32Å; T616-F634 HydrophobicContact CG2-CE1 4.22Å; Y618-F634 HydrophobicContact CD1-CB 4.15Å; Y618-F634 AromaticContact CD1-CD1 3.29Å; Y618-F634 HydrophobicContact CD1-CD1 3.29Å; Y618-F634 AromaticContact CD1-CE1 3.87Å; Y618-F634 HydrophobicContact CD1-CE1 3.87Å; Y618-F634 AromaticContact CD1-CG 3.88Å; Y618-F634 HydrophobicContact CD1-CG 3.88Å; Y618-F634 HydrophobicContact CD2-CB 3.68Å; Y618-F634 HydrophobicContact CD2-CD1 4.17Å; Y618-F634 HydrophobicContact CD2-CD2 4.49Å; Y618-F634 AromaticContact CD2-CG 3.88Å; Y618-F634 HydrophobicContact CD2-CG 3.88Å; Y618-F634 HydrophobicContact CE1-CB 4.25Å; Y618-F634 AromaticContact CE1-CD1 3.94Å; Y618-F634 HydrophobicContact CE1-CD1 3.94Å; Y618-F634 HydrophobicContact CE1-CG 4.43Å; Y618-F634 HydrophobicContact CE2-CB 3.82Å; Y618-F634 HydrophobicContact CE2-CG 4.45Å; Y618-F634 HydrophobicContact CG-CB 3.85Å; Y618-F634 AromaticContact CG-CD1 3.42Å; Y618-F634 HydrophobicContact CG-CD1 3.42Å; Y618-F634 VanDerWaalsContact CG-CD1 3.42Å; Y618-F634 HydrophobicContact CG-CD2 4.2Å; Y618-F634 AromaticContact CG-CE1 3.97Å; Y618-F634 HydrophobicContact CG-CE1 3.97Å; Y618-F634 AromaticContact CG-CG 3.55Å; Y618-F634 HydrophobicContact CG-CG 3.55Å; F623-F634 HydrophobicContact CE2-CD2 4.15Å; F623-F634 AromaticContact CZ-CD2 3.94Å; F623-F634 HydrophobicContact CZ-CD2 3.94Å; F623-F634 HydrophobicContact CZ-CE2 4.25Å; S632-F634 PolarHBondContact O-N 2.71Å; F634-C636 VanDerWaalsContact C-N 3.28Å; F634-C636 VanDerWaalsContact CB-SG 3.6Å; F634-C636 PolarHBondContact O-N 2.95Å; F634-C636 VanDerWaalsContact O-N 3.1Å; F634-N663 PolarHBondContact N-ND2 3.43Å; F634-N663 PolarHBondContact O-ND2 3.11Å |
| 635 | D | 86 | Confident | 88.5 | Confident | 61 Ų | 61 | 40.3 Ų | 40.3 | 33% | 0.326 | 21% | 0.211 | S | C | . | . | trans | -88.3 | 71.9 | -179.6 | -55.1 | -42.2 | 0 | 0 | 0 | 108.6 | N663 | D635-N663 WeakPolarHBondContact OD1-CB 3.38Š| ||
| 636 | C | 90.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -120.8 | 117.5 | -171.2 | -63.9 | 0 | 0 | 0 | 0 | 113.4 | C620 F634 T646 S661 | C620-C636 WeakPolarHBondContact CA-SG 3.47Å; C620-C636 HydrophobicContact CB-CB 3.64Å; C620-C636 WeakPolarHBondContact CB-SG 3.48Å; C620-C636 WeakPolarHBondContact SG-CA 3.44Å; C620-C636 WeakPolarHBondContact SG-CB 3.39Å; C620-C636 CovalentContact SG-SG 2.03Å; C620-C636 PolarHBondContact SG-SG 3.44Å; F634-C636 VanDerWaalsContact C-N 3.28Å; F634-C636 VanDerWaalsContact CB-SG 3.6Å; F634-C636 PolarHBondContact O-N 2.95Å; F634-C636 VanDerWaalsContact O-N 3.1Å; C636-T646 CarbonylContact C-O 3.56Å; C636-T646 WeakPolarHBondContact CA-O 3.49Å; C636-S661 WeakPolarHBondContact O-CB 3.27Å | ||
| 637 | D | 90.3 | Very high | 88.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 151.4 | -177.7 | -53.4 | -30.3 | 0 | 0 | 0 | 111.5 | C629 C645 T646 S649 V658 I659 D660 S661 S664 | C629-D637 PolarHBondContact SG-O 3.04Å; C629-D637 VanDerWaalsContact SG-O 3.33Å; D637-C645 CarbonylContact O-C 3.57Å; D637-C645 WeakPolarHBondContact O-CA 3.35Å; D637-T646 PolarHBondContact N-O 3.41Å; D637-T646 PolarHBondContact O-N 2.79Å; D637-S649 WeakPolarHBondContact OD2-CB 3.35Å; D637-S649 PolarHBondContact OD2-OG 3.35Å; D637-V658 HydrophobicContact CB-CG1 3.87Å; D637-I659 WeakPolarHBondContact CA-O 3.25Å; D637-D660 VanDerWaalsContact OD1-CA 3.29Å; D637-D660 WeakPolarHBondContact OD1-CA 3.32Å; D637-S661 PolarHBondContact OD1-N 2.63Å; D637-S664 PolarHBondContact OD1-OG 3.37Å |
| 638 | W | 90.8 | Very high | 88.3 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 4% | 0.042 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 129.3 | -176.9 | -179.6 | -98.5 | 0 | 0 | 0 | 112.8 | K624 C626 C629 V630 P640 S643 Q644 C645 I659 | K624-W638 WeakPolarHBondContact O-CH2 3.14Å; C626-W638 HydrophobicContact CB-CD2 4.01Å; C626-W638 HydrophobicContact CB-CG 4Å; C626-W638 HydrophobicContact CB-CZ2 4.31Å; C626-W638 VanDerWaalsContact SG-CD1 3.51Å; C629-W638 HydrophobicContact CB-CB 4.25Å; C629-W638 HydrophobicContact CB-CD2 4.46Å; C629-W638 HydrophobicContact CB-CE3 3.71Å; C629-W638 HydrophobicContact CB-CZ3 4.47Å; V630-W638 HydrophobicContact CG1-CB 3.84Å; W638-P640 WeakPolarHBondContact O-CD 3.36Å; W638-S643 VanDerWaalsContact CH2-O 3.31Å; W638-S643 WeakPolarHBondContact CH2-O 3.44Å; W638-S643 VanDerWaalsContact CZ2-C 3.47Å; W638-S643 WeakPolarHBondContact CZ2-OG 3.36Å; W638-Q644 VanDerWaalsContact CE3-C 3.43Å; W638-C645 HydrophobicContact CE3-CB 3.77Å; W638-C645 HydrophobicContact CZ3-CB 4.07Å; W638-I659 HydrophobicContact CB-CB 4.37Å; W638-I659 PolarHBondContact N-O 3.41Å; W638-I659 PolarHBondContact O-N 3.41Å |
| 639 | C | 90.3 | Very high | 87.9 | Confident | 6 Ų | 6 | 36 Ų | 36 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 105.5 | 171.5 | -47 | 0 | 0 | 0 | 0 | 110 | E641 S642 S643 Q644 C653 | C639-E641 PolarHBondContact O-N 3.02Å; C639-S642 VanDerWaalsContact CB-OG 3.24Å; C639-S642 WeakPolarHBondContact CB-OG 3.43Å; C639-S642 PolarHBondContact O-OG 3.14Å; C639-S643 WeakPolarHBondContact O-CA 3.41Å; C639-S643 PolarHBondContact O-N 3.31Å; C639-Q644 PolarHBondContact N-O 3.32Å; C639-Q644 PolarHBondContact O-N 3.47Å; C639-C653 HydrophobicContact CB-CB 4Å; C639-C653 WeakPolarHBondContact CB-SG 3.26Å; C639-C653 WeakPolarHBondContact SG-CA 3.44Å; C639-C653 WeakPolarHBondContact SG-CB 3.47Å; C639-C653 CovalentContact SG-SG 2.05Å; C639-C653 PolarHBondContact SG-SG 3.31Å |
| 640 | P | 86.8 | Confident | 87.4 | Confident | 6 Ų | 6 | 44.9 Ų | 44.9 | 4% | 0.039 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -27.4 | -171.6 | -20.9 | 35.1 | 0 | 0 | 0 | 115.3 | W638 Y657 I659 L705 F707 | W638-P640 WeakPolarHBondContact O-CD 3.36Å; P640-Y657 WeakPolarHBondContact CD-O 3.49Å; P640-I659 HydrophobicContact CG-CD1 3.91Å; P640-I659 HydrophobicContact CG-CG1 4.06Å; P640-L705 HydrophobicContact CB-CD1 3.41Å; P640-L705 VanDerWaalsContact CB-CD1 3.41Å; P640-L705 HydrophobicContact CG-CD1 4Å; P640-F707 HydrophobicContact CB-CZ 4.14Å |
| 641 | E | 84.6 | Confident | 87 | Confident | 99 Ų | 99 | 52.3 Ų | 52.3 | 46% | 0.463 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -48.6 | -175.7 | -172.4 | 174.9 | -176.5 | 0 | 0 | 111.9 | C639 S643 F707 K761 | C639-E641 PolarHBondContact O-N 3.02Å; E641-S643 VanDerWaalsContact C-N 3.28Å; E641-F707 HydrophobicContact CB-CE1 4.44Å; E641-F707 HydrophobicContact CB-CZ 4.14Å; E641-K761 PolarHBondContact O-NZ 3.03Å |
| 642 | S | 85.8 | Confident | 86.7 | Confident | 45 Ų | 45 | 53.6 Ų | 53.6 | 32% | 0.315 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -22.4 | 171.2 | 56.2 | 0 | 0 | 0 | 0 | 112.6 | C639 | C639-S642 VanDerWaalsContact CB-OG 3.24Å; C639-S642 WeakPolarHBondContact CB-OG 3.43Å; C639-S642 PolarHBondContact O-OG 3.14Å |
| 643 | S | 87.4 | Confident | 86.5 | Confident | 36 Ų | 36 | 53.9 Ų | 53.9 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 49 | -173.7 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | W638 C639 E641 | W638-S643 VanDerWaalsContact CH2-O 3.31Å; W638-S643 WeakPolarHBondContact CH2-O 3.44Å; W638-S643 VanDerWaalsContact CZ2-C 3.47Å; W638-S643 WeakPolarHBondContact CZ2-OG 3.36Å; C639-S643 WeakPolarHBondContact O-CA 3.41Å; C639-S643 PolarHBondContact O-N 3.31Å; E641-S643 VanDerWaalsContact C-N 3.28Å |
| 644 | Q | 88.7 | Confident | 85.9 | Confident | 120 Ų | 120 | 59.6 Ų | 59.6 | 56% | 0.561 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 154.4 | -173.8 | -66.4 | 173.1 | -2.7 | 0 | 0 | 111.3 | W638 C639 | W638-Q644 VanDerWaalsContact CE3-C 3.43Å; C639-Q644 PolarHBondContact N-O 3.32Å; C639-Q644 PolarHBondContact O-N 3.47Å |
| 645 | C | 91.1 | Very high | 85.1 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.054 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.1 | 177.9 | -172.5 | 0 | 0 | 0 | 0 | 110 | C620 S621 F623 C629 D637 W638 | C620-C645 WeakPolarHBondContact O-CB 3.42Å; C620-C645 PolarHBondContact O-SG 2.98Å; S621-C645 WeakPolarHBondContact CA-O 3.33Å; F623-C645 HydrophobicContact CB-CB 4.04Å; C629-C645 HydrophobicContact CB-CB 3.7Å; C629-C645 WeakPolarHBondContact CB-SG 3.31Å; C629-C645 WeakPolarHBondContact SG-CB 3.33Å; C629-C645 CovalentContact SG-SG 2.03Å; C629-C645 PolarHBondContact SG-SG 3.38Å; D637-C645 CarbonylContact O-C 3.57Å; D637-C645 WeakPolarHBondContact O-CA 3.35Å; W638-C645 HydrophobicContact CE3-CB 3.77Å; W638-C645 HydrophobicContact CZ3-CB 4.07Å |
| 646 | T | 90 | Very high | 84.7 | Confident | 6 Ų | 6 | 62.6 Ų | 62.6 | 4% | 0.037 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 156.8 | -174.2 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | C636 D637 N648 D652 | C636-T646 CarbonylContact C-O 3.56Å; C636-T646 WeakPolarHBondContact CA-O 3.49Å; D637-T646 PolarHBondContact N-O 3.41Å; D637-T646 PolarHBondContact O-N 2.79Å; T646-N648 PolarHBondContact OG1-N 3.15Å; T646-D652 WeakPolarHBondContact CB-OD2 3.07Å; T646-D652 HydrophobicContact CG2-CB 4.07Å; T646-D652 PolarHBondContact OG1-OD2 2.97Å |
| 647 | A | 86.5 | Confident | 84.3 | Confident | 35 Ų | 35 | 66.1 Ų | 66.1 | 29% | 0.289 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -95.9 | -11.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q532 C620 | Q532-A647 HydrophobicContact CB-CB 4.14Å; Q532-A647 HydrophobicContact CG-CB 3.58Å; C620-A647 HydrophobicContact CB-CB 4.32Å; C620-A647 VanDerWaalsContact SG-CB 3.59Å |
| 648 | N | 85.5 | Confident | 84.1 | Confident | 59 Ų | 59 | 67.1 Ų | 67.1 | 32% | 0.316 | 34% | 0.344 | S | S | . | . | trans | -129 | 77.5 | 178.7 | -166.1 | 6.8 | 0 | 0 | 0 | 110.3 | T646 E650 E651 D652 | T646-N648 PolarHBondContact OG1-N 3.15Å; N648-E650 PolarHBondContact O-N 3.31Å; N648-E651 VanDerWaalsContact ND2-CG 3.32Å; N648-E651 WeakPolarHBondContact ND2-CG 3.24Å; N648-E651 PolarHBondContact ND2-OE2 3.34Å; N648-E651 PolarHBondContact O-N 2.81Å; N648-E651 VanDerWaalsContact O-N 3.13Å; N648-D652 PolarHBondContact O-N 3.11Å; N648-D652 VanDerWaalsContact O-N 3.07Å | ||
| 649 | S | 81.1 | Confident | 84 | Confident | 30 Ų | 30 | 66.8 Ų | 66.8 | 21% | 0.21 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.4 | -21.5 | -179.8 | 41.1 | 0 | 0 | 0 | 0 | 113.9 | D637 | D637-S649 WeakPolarHBondContact OD2-CB 3.35Å; D637-S649 PolarHBondContact OD2-OG 3.35Å |
| 650 | E | 80.6 | Confident | 83.8 | Confident | 187 Ų | 187 | 67.2 Ų | 67.2 | 87% | 0.874 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -71.6 | -28.2 | 175.1 | -62 | -169.7 | 171.7 | 0 | 0 | 113.5 | N648 | N648-E650 PolarHBondContact O-N 3.31Å |
| 651 | E | 81.7 | Confident | 83.7 | Confident | 156 Ų | 156 | 66.9 Ų | 66.9 | 73% | 0.729 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -103.2 | -39.2 | -178.5 | -70.9 | -176.4 | 157.5 | 0 | 0 | 113.4 | N648 | N648-E651 VanDerWaalsContact ND2-CG 3.32Å; N648-E651 WeakPolarHBondContact ND2-CG 3.24Å; N648-E651 PolarHBondContact ND2-OE2 3.34Å; N648-E651 PolarHBondContact O-N 2.81Å; N648-E651 VanDerWaalsContact O-N 3.13Å |
| 652 | D | 82.2 | Confident | 83.5 | Confident | 96 Ų | 96 | 67 Ų | 67 | 51% | 0.513 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -87.6 | -33.9 | -170.1 | -77.8 | -27.4 | 0 | 0 | 0 | 114.4 | T646 N648 R654 | T646-D652 WeakPolarHBondContact CB-OD2 3.07Å; T646-D652 HydrophobicContact CG2-CB 4.07Å; T646-D652 PolarHBondContact OG1-OD2 2.97Å; N648-D652 PolarHBondContact O-N 3.11Å; N648-D652 VanDerWaalsContact O-N 3.07Å; D652-R654 PolarHBondContact O-N 3.43Å |
| 653 | C | 83.4 | Confident | 83 | Confident | 19 Ų | 19 | 68.3 Ų | 68.3 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | trans | -82 | 100.4 | -176.1 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | C639 G655 V658 | C639-C653 HydrophobicContact CB-CB 4Å; C639-C653 WeakPolarHBondContact CB-SG 3.26Å; C639-C653 WeakPolarHBondContact SG-CA 3.44Å; C639-C653 WeakPolarHBondContact SG-CB 3.47Å; C639-C653 CovalentContact SG-SG 2.05Å; C639-C653 PolarHBondContact SG-SG 3.31Å; C653-G655 PolarHBondContact O-N 3.11Å; C653-G655 VanDerWaalsContact O-N 3.16Å; C653-V658 HydrophobicContact CB-CG2 3.8Å | ||
| 654 | R | 73.7 | Confident | 82.3 | Confident | 253 Ų | 253 | 67.1 Ų | 67.1 | 96% | 0.955 | 34% | 0.341 | S | S | * | . | trans | -70 | -5.2 | -179.5 | -64.7 | -173.4 | 179.2 | -175.9 | -0.5 | 116.4 | D652 | D652-R654 PolarHBondContact O-N 3.43Š| ||
| 655 | G | 71 | Confident | 81.4 | Confident | 19 Ų | 19 | 66.6 Ų | 66.6 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -121.5 | 162.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C653 Y657 | C653-G655 PolarHBondContact O-N 3.11Å; C653-G655 VanDerWaalsContact O-N 3.16Å; G655-Y657 PolarHBondContact O-N 3.25Å |
| 656 | P | 76.3 | Confident | 80.1 | Confident | 113 Ų | 113 | 68 Ų | 68 | 73% | 0.734 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -72.1 | 9.5 | -177.6 | 33.7 | -38.8 | 0 | 0 | 0 | 113.8 | ||
| 657 | Y | 81.6 | Confident | 79 | Confident | 75 Ų | 75 | 76.4 Ų | 76.4 | 29% | 0.294 | 42% | 0.417 | S | S | . | . | trans | -120.3 | 108.9 | -174.6 | -55.9 | -41.6 | 0 | 0 | 0 | 108.9 | P640 G655 R670 F707 | P640-Y657 WeakPolarHBondContact CD-O 3.49Å; G655-Y657 PolarHBondContact O-N 3.25Å; Y657-R670 VanDerWaalsContact CD1-CZ 3.45Å; Y657-R670 VanDerWaalsContact CD1-NH2 3.28Å; Y657-F707 AromaticContact CD2-CE1 3.95Å; Y657-F707 HydrophobicContact CD2-CE1 3.95Å; Y657-F707 HydrophobicContact CE2-CD1 4.47Å; Y657-F707 HydrophobicContact CE2-CE1 4.21Å | ||
| 658 | V | 86.7 | Confident | 78.2 | Confident | 31 Ų | 31 | 76.5 Ų | 76.5 | 19% | 0.188 | 42% | 0.415 | C | S | . | . | trans | -119.3 | 147.6 | 167.8 | -174.8 | 0 | 0 | 0 | 0 | 107 | D637 C653 R670 | D637-V658 HydrophobicContact CB-CG1 3.87Å; C653-V658 HydrophobicContact CB-CG2 3.8Å; V658-R670 WeakPolarHBondContact O-CB 3.47Å; V658-R670 VanDerWaalsContact O-CD 3.29Å; V658-R670 WeakPolarHBondContact O-CD 3.15Å | ||
| 659 | I | 88.7 | Confident | 77.8 | Confident | 3 Ų | 3 | 79.1 Ų | 79.1 | 2% | 0.015 | 44% | 0.435 | C | S | . | . | B | Isolated β-bridge | trans | -119.1 | 107.2 | 167.8 | -55.1 | 173 | 0 | 0 | 0 | 107.3 | V630 D637 W638 P640 R670 F675 | V630-I659 HydrophobicContact CG1-CB 4.33Å; V630-I659 HydrophobicContact CG1-CG2 3.95Å; V630-I659 WeakPolarHBondContact CG1-O 3.18Å; D637-I659 WeakPolarHBondContact CA-O 3.25Å; W638-I659 HydrophobicContact CB-CB 4.37Å; W638-I659 PolarHBondContact N-O 3.41Å; W638-I659 PolarHBondContact O-N 3.41Å; P640-I659 HydrophobicContact CG-CD1 3.91Å; P640-I659 HydrophobicContact CG-CG1 4.06Å; I659-R670 CarbonylContact C-O 3.51Å; I659-R670 WeakPolarHBondContact CA-O 3.38Å; I659-R670 WeakPolarHBondContact CG2-O 3.4Å; I659-F675 HydrophobicContact CD1-CB 4.17Å; I659-F675 WeakPolarHBondContact CD1-O 3.4Å; I659-F675 HydrophobicContact CG1-CB 4.29Å; I659-F675 HydrophobicContact CG2-CB 3.91Å |
| 660 | D | 86.1 | Confident | 77.9 | Confident | 15 Ų | 15 | 81.2 Ų | 81.2 | 8% | 0.08 | 44% | 0.439 | C | S | . | . | B | Isolated β-bridge | trans | -72 | 148.2 | -173.9 | -64.6 | 48.7 | 0 | 0 | 0 | 111.8 | D637 S668 R670 K671 G672 | D637-D660 VanDerWaalsContact OD1-CA 3.29Å; D637-D660 WeakPolarHBondContact OD1-CA 3.32Å; D660-S668 WeakPolarHBondContact OD1-CB 3.37Å; D660-S668 PolarHBondContact OD1-OG 3.48Å; D660-S668 WeakPolarHBondContact OD2-CB 3.21Å; D660-R670 PolarHBondContact N-O 2.76Å; D660-K671 HydrophobicContact CB-CG 4.24Å; D660-G672 PolarHBondContact O-N 3.4Å |
| 661 | S | 84.9 | Confident | 78 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 41% | 0.412 | C | S | . | . | trans | -63.9 | 158 | 172.1 | 98.7 | 0 | 0 | 0 | 0 | 112.3 | C636 D637 N663 S664 K671 | C636-S661 WeakPolarHBondContact O-CB 3.27Å; D637-S661 PolarHBondContact OD1-N 2.63Å; S661-N663 PolarHBondContact O-N 2.99Å; S661-N663 PolarHBondContact OG-N 3.36Å; S661-S664 VanDerWaalsContact CB-OG 3.3Å; S661-S664 WeakPolarHBondContact CB-OG 3.34Å; S661-S664 PolarHBondContact OG-N 2.87Å; S661-S664 PolarHBondContact OG-OG 2.88Å; S661-K671 WeakPolarHBondContact O-CE 3.46Å; S661-K671 WeakPolarHBondContact O-CG 3.27Å | ||
| 662 | L | 81.2 | Confident | 78.1 | Confident | 100 Ų | 100 | 68.2 Ų | 68.2 | 52% | 0.524 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -63.1 | -27.3 | 171.5 | -71.8 | 171.2 | 0 | 0 | 0 | 113 | V630 K671 | V630-L662 PolarHBondContact O-N 3.06Å; L662-K671 WeakPolarHBondContact O-CE 3.23Å |
| 663 | N | 75.4 | Confident | 78.3 | Confident | 73 Ų | 73 | 65.7 Ų | 65.7 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -87.7 | -26 | -176.8 | -52.8 | -55.5 | 0 | 0 | 0 | 113 | S632 F634 D635 S661 A665 | S632-N663 PolarHBondContact O-ND2 3.06Å; F634-N663 PolarHBondContact N-ND2 3.43Å; F634-N663 PolarHBondContact O-ND2 3.11Å; D635-N663 WeakPolarHBondContact OD1-CB 3.38Å; S661-N663 PolarHBondContact O-N 2.99Å; S661-N663 PolarHBondContact OG-N 3.36Å; N663-A665 PolarHBondContact O-N 2.73Å |
| 664 | S | 73 | Confident | 78.5 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 8% | 0.084 | 39% | 0.387 | C | S | . | . | trans | -55.5 | 130 | -174.8 | -58.8 | 0 | 0 | 0 | 0 | 110.3 | D637 S661 G666 K671 | D637-S664 PolarHBondContact OD1-OG 3.37Å; S661-S664 VanDerWaalsContact CB-OG 3.3Å; S661-S664 WeakPolarHBondContact CB-OG 3.34Å; S661-S664 PolarHBondContact OG-N 2.87Å; S661-S664 PolarHBondContact OG-OG 2.88Å; S664-G666 PolarHBondContact O-N 3.06Å; S664-G666 VanDerWaalsContact O-N 3.11Å; S664-K671 WeakPolarHBondContact O-CE 3.47Å; S664-K671 PolarHBondContact O-NZ 3.38Å | ||
| 665 | A | 67.9 | Low | 79.2 | Confident | 109 Ų | 109 | 60.4 Ų | 60.4 | 90% | 0.901 | 36% | 0.358 | S | S | * | . | trans | -71.1 | -4.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N663 | N663-A665 PolarHBondContact O-N 2.73Š| ||
| 666 | G | 64.6 | Low | 80.2 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | trans | -63.9 | 154 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S664 S668 | S664-G666 PolarHBondContact O-N 3.06Å; S664-G666 VanDerWaalsContact O-N 3.11Å; G666-S668 VanDerWaalsContact C-N 3.35Å | ||
| 667 | L | 66.1 | Low | 80.9 | Confident | 183 Ų | 183 | 54.8 Ų | 54.8 | 96% | 0.958 | 32% | 0.318 | S | S | * | . | trans | -93.3 | 19.2 | 179.5 | -80 | 152 | 0 | 0 | 0 | 113.1 | ||||
| 668 | S | 70.1 | Confident | 81.3 | Confident | 37 Ų | 37 | 52.9 Ų | 52.9 | 26% | 0.259 | 31% | 0.312 | S | S | . | . | trans | -61 | 140.7 | -177.7 | 175.8 | 0 | 0 | 0 | 0 | 112.8 | D660 G666 R670 | D660-S668 WeakPolarHBondContact OD1-CB 3.37Å; D660-S668 PolarHBondContact OD1-OG 3.48Å; D660-S668 WeakPolarHBondContact OD2-CB 3.21Å; G666-S668 VanDerWaalsContact C-N 3.35Å; S668-R670 PolarHBondContact O-N 2.96Å; S668-R670 PolarHBondContact OG-N 3.23Å | ||
| 669 | P | 77.7 | Confident | 81.5 | Confident | 114 Ų | 114 | 51.4 Ų | 51.4 | 74% | 0.74 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -73.2 | -7.1 | 176 | 30.7 | -35.1 | 0 | 0 | 0 | 113.8 | F675 | P669-F675 VanDerWaalsContact O-CZ 3.32Å; P669-F675 WeakPolarHBondContact O-CZ 3.11Å |
| 670 | R | 82 | Confident | 81.5 | Confident | 75 Ų | 75 | 52.6 Ų | 52.6 | 28% | 0.283 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -115.5 | 59.8 | -174.2 | -65.5 | -179 | 179 | -149.8 | 2 | 111.8 | Y657 V658 I659 D660 S668 F675 | Y657-R670 VanDerWaalsContact CD1-CZ 3.45Å; Y657-R670 VanDerWaalsContact CD1-NH2 3.28Å; V658-R670 WeakPolarHBondContact O-CB 3.47Å; V658-R670 VanDerWaalsContact O-CD 3.29Å; V658-R670 WeakPolarHBondContact O-CD 3.15Å; I659-R670 CarbonylContact C-O 3.51Å; I659-R670 WeakPolarHBondContact CA-O 3.38Å; I659-R670 WeakPolarHBondContact CG2-O 3.4Å; D660-R670 PolarHBondContact N-O 2.76Å; S668-R670 PolarHBondContact O-N 2.96Å; S668-R670 PolarHBondContact OG-N 3.23Å; R670-F675 HydrophobicContact CB-CD1 4.46Å; R670-F675 HydrophobicContact CB-CG 4.35Å; R670-F675 HydrophobicContact CG-CD1 4.4Å |
| 671 | K | 83.6 | Confident | 81.4 | Confident | 70 Ų | 70 | 52.6 Ų | 52.6 | 30% | 0.304 | 31% | 0.311 | S | S | . | . | B | Isolated β-bridge | trans | -99.2 | 125.4 | -172.4 | -162.3 | 170.1 | -168.5 | 166.1 | 0 | 113.3 | D660 S661 L662 S664 F675 | D660-K671 HydrophobicContact CB-CG 4.24Å; S661-K671 WeakPolarHBondContact O-CE 3.46Å; S661-K671 WeakPolarHBondContact O-CG 3.27Å; L662-K671 WeakPolarHBondContact O-CE 3.23Å; S664-K671 WeakPolarHBondContact O-CE 3.47Å; S664-K671 PolarHBondContact O-NZ 3.38Å; K671-F675 WeakPolarHBondContact O-CD2 3.43Å; K671-F675 VanDerWaalsContact O-CE2 3.32Å; K671-F675 WeakPolarHBondContact O-CE2 3.28Å |
| 672 | G | 84.3 | Confident | 81.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 85.4 | -178.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | D660 S674 F675 | D660-G672 PolarHBondContact O-N 3.4Å; G672-S674 PolarHBondContact O-N 2.88Å; G672-S674 VanDerWaalsContact O-N 3.12Å; G672-F675 PolarHBondContact O-N 3.09Å |
| 673 | P | 86.8 | Confident | 81.3 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 28% | 0.279 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -67.3 | -17.4 | -167 | 27.2 | -37.2 | 0 | 0 | 0 | 114.7 | Q627 V630 T631 F675 C676 | Q627-P673 HydrophobicContact CG-CB 4.35Å; V630-P673 HydrophobicContact CG2-CB 4.08Å; T631-P673 HydrophobicContact CG2-CB 3.68Å; T631-P673 HydrophobicContact CG2-CG 3.62Å; P673-F675 PolarHBondContact O-N 3.4Å; P673-C676 WeakPolarHBondContact O-CB 3.42Å; P673-C676 PolarHBondContact O-N 2.73Å; P673-C676 VanDerWaalsContact O-N 3.09Å |
| 674 | S | 86.8 | Confident | 81.5 | Confident | 81 Ų | 81 | 65.1 Ų | 65.1 | 57% | 0.566 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -62.6 | -12.4 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 114.1 | G672 N703 | G672-S674 PolarHBondContact O-N 2.88Å; G672-S674 VanDerWaalsContact O-N 3.12Å; S674-N703 PolarHBondContact O-ND2 3.29Å |
| 675 | F | 89.4 | Confident | 82.1 | Confident | 79 Ų | 79 | 67.5 Ų | 67.5 | 35% | 0.346 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -102.8 | -1.4 | 177.8 | -61.8 | -83.2 | 0 | 0 | 0 | 113.7 | I659 P669 R670 K671 G672 P673 | I659-F675 HydrophobicContact CD1-CB 4.17Å; I659-F675 WeakPolarHBondContact CD1-O 3.4Å; I659-F675 HydrophobicContact CG1-CB 4.29Å; I659-F675 HydrophobicContact CG2-CB 3.91Å; P669-F675 VanDerWaalsContact O-CZ 3.32Å; P669-F675 WeakPolarHBondContact O-CZ 3.11Å; R670-F675 HydrophobicContact CB-CD1 4.46Å; R670-F675 HydrophobicContact CB-CG 4.35Å; R670-F675 HydrophobicContact CG-CD1 4.4Å; K671-F675 WeakPolarHBondContact O-CD2 3.43Å; K671-F675 VanDerWaalsContact O-CE2 3.32Å; K671-F675 WeakPolarHBondContact O-CE2 3.28Å; G672-F675 PolarHBondContact O-N 3.09Å; P673-F675 PolarHBondContact O-N 3.4Å |
| 676 | C | 90.7 | Very high | 83.1 | Confident | 3 Ų | 3 | 64.1 Ų | 64.1 | 2% | 0.02 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -75.9 | 136.3 | -178.4 | -71.8 | 0 | 0 | 0 | 0 | 113.2 | C626 Q627 P673 H678 N703 | C626-C676 HydrophobicContact CB-CB 3.63Å; C626-C676 WeakPolarHBondContact CB-SG 3.46Å; C626-C676 WeakPolarHBondContact SG-CA 3.21Å; C626-C676 WeakPolarHBondContact SG-CB 3.31Å; C626-C676 CovalentContact SG-SG 2.04Å; C626-C676 PolarHBondContact SG-SG 3.24Å; Q627-C676 PolarHBondContact N-SG 3.1Å; P673-C676 WeakPolarHBondContact O-CB 3.42Å; P673-C676 PolarHBondContact O-N 2.73Å; P673-C676 VanDerWaalsContact O-N 3.09Å; C676-H678 PolarHBondContact O-N 3.46Å; C676-H678 PolarHBondContact O-ND1 3.05Å; C676-N703 WeakPolarHBondContact O-CB 3.32Å; C676-N703 PolarHBondContact O-ND2 3.36Å |
| 677 | P | 90.5 | Very high | 84.2 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 8% | 0.078 | 33% | 0.332 | C | S | . | . | trans | -67.2 | 122 | 174.4 | -18.3 | 30.5 | 0 | 0 | 0 | 113 | V702 N703 L763 D764 | P677-V702 WeakPolarHBondContact CA-O 3.27Å; P677-N703 WeakPolarHBondContact CG-O 3.26Å; P677-L763 HydrophobicContact CB-CD2 3.84Å; P677-D764 PolarHBondContact O-N 2.86Å | ||
| 678 | H | 90.9 | Very high | 85.2 | Confident | 34 Ų | 34 | 58.3 Ų | 58.3 | 16% | 0.157 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 165.7 | -173.2 | 67 | -90.7 | 0 | 0 | 0 | 114.5 | C676 V701 V702 D764 T766 | C676-H678 PolarHBondContact O-N 3.46Å; C676-H678 PolarHBondContact O-ND1 3.05Å; H678-V701 WeakPolarHBondContact O-CA 3.36Å; H678-V702 PolarHBondContact N-O 2.97Å; H678-V702 PolarHBondContact O-N 3.08Å; H678-D764 CarbonylContact C-O 3.53Å; H678-D764 WeakPolarHBondContact CA-O 3.42Å; H678-D764 HydrophobicContact CB-CB 3.96Å; H678-D764 WeakPolarHBondContact CB-O 3.5Å; H678-T766 HydrophobicContact CB-CG2 3.81Å; H678-T766 PolarHBondContact CD2-OG1 2.84Å |
| 679 | I | 91.4 | Very high | 86.2 | Confident | 1 Ų | 1 | 56.5 Ų | 56.5 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 147.5 | 173.2 | 61.7 | 163.8 | 0 | 0 | 0 | 112.2 | V699 R700 V701 V755 L763 D764 N765 T766 | I679-V699 HydrophobicContact CG2-CG2 4.35Å; I679-R700 CarbonylContact C-O 3.55Å; I679-R700 WeakPolarHBondContact CA-O 3.31Å; I679-V701 HydrophobicContact CG2-CG1 3.7Å; I679-V755 HydrophobicContact CD1-CG2 4.02Å; I679-V755 HydrophobicContact CG2-CB 4.14Å; I679-V755 HydrophobicContact CG2-CG1 4.47Å; I679-V755 HydrophobicContact CG2-CG2 4.22Å; I679-L763 HydrophobicContact CG2-CB 4.23Å; I679-L763 HydrophobicContact CG2-CD1 3.95Å; I679-D764 PolarHBondContact N-O 3.22Å; I679-N765 HydrophobicContact CD1-CB 3.93Å; I679-N765 HydrophobicContact CG1-CB 3.9Å; I679-T766 PolarHBondContact O-OG1 3.46Å |
| 680 | I | 88.2 | Confident | 86.7 | Confident | 27 Ų | 27 | 52.5 Ų | 52.5 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 156.6 | 175.1 | 59 | 177 | 0 | 0 | 0 | 110.7 | R700 V702 Q767 | I680-R700 HydrophobicContact CD1-CB 4.39Å; I680-R700 HydrophobicContact CD1-CG 4.19Å; I680-R700 HydrophobicContact CG1-CB 3.84Å; I680-R700 HydrophobicContact CG1-CG 4.12Å; I680-R700 PolarHBondContact N-O 3.36Å; I680-R700 PolarHBondContact O-N 3.16Å; I680-V702 HydrophobicContact CD1-CG2 3.66Å; I680-V702 HydrophobicContact CG1-CG2 4.14Å; I680-Q767 HydrophobicContact CB-CG 4.49Å; I680-Q767 HydrophobicContact CG2-CG 4.22Å |
| 681 | A | 83.7 | Confident | 87 | Confident | 15 Ų | 15 | 50.6 Ų | 50.6 | 12% | 0.124 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 149 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | V769 | A681-V769 HydrophobicContact CB-CG2 4Å |
| 682 | R | 82.9 | Confident | 87.1 | Confident | 152 Ų | 152 | 49.1 Ų | 49.1 | 57% | 0.574 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -71.8 | -53.9 | 174 | -174.8 | -173 | 176.5 | -172.8 | -0.7 | 112.2 | ||
| 683 | D | 80.8 | Confident | 86.9 | Confident | 134 Ų | 134 | 53.7 Ų | 53.7 | 72% | 0.717 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -125.7 | -49.2 | -174.7 | -54.9 | -65.1 | 0 | 0 | 0 | 111.9 | ||
| 684 | K | 80.9 | Confident | 86.9 | Confident | 151 Ų | 151 | 55.1 Ų | 55.1 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | trans | -141.4 | 145.9 | 178.5 | -65.2 | -178.1 | -177.4 | 175.7 | 0 | 109.6 | V686 | K684-V686 PolarHBondContact O-N 2.87Š| ||
| 685 | P | 84.7 | Confident | 87 | Confident | 61 Ų | 61 | 56 Ų | 56 | 40% | 0.396 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -68.7 | -17.7 | 176.1 | 28.6 | -35.2 | 0 | 0 | 0 | 112.9 | R770 | P685-R770 PolarHBondContact O-N 3.41Š|
| 686 | V | 88.4 | Confident | 87 | Confident | 38 Ų | 38 | 54.1 Ų | 54.1 | 23% | 0.23 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 120.7 | 177.8 | -175 | 0 | 0 | 0 | 0 | 110.2 | K684 R770 V772 | K684-V686 PolarHBondContact O-N 2.87Å; V686-R770 WeakPolarHBondContact CA-O 3.39Å; V686-R770 HydrophobicContact CG2-CG 4.24Å; V686-V772 HydrophobicContact CG1-CB 4.23Å; V686-V772 HydrophobicContact CG1-CG2 3.6Å |
| 687 | I | 87.8 | Confident | 86.9 | Confident | 28 Ų | 28 | 54.2 Ų | 54.2 | 14% | 0.144 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 119.1 | 177.7 | -59.2 | 174.9 | 0 | 0 | 0 | 108.7 | V689 Y695 V697 R770 V771 V772 | I687-V689 HydrophobicContact CG2-CG2 4.15Å; I687-Y695 HydrophobicContact CG2-CD1 4.14Å; I687-Y695 HydrophobicContact CG2-CE1 3.43Å; I687-Y695 VanDerWaalsContact CG2-CE1 3.43Å; I687-V697 HydrophobicContact CD1-CG1 4.1Å; I687-R770 PolarHBondContact N-O 3.37Å; I687-V771 HydrophobicContact CB-CG2 4.4Å; I687-V771 CarbonylContact O-C 3.57Å; I687-V771 WeakPolarHBondContact O-CA 3.38Å; I687-V772 PolarHBondContact O-N 3.06Å |
| 688 | H | 88.8 | Confident | 86.9 | Confident | 69 Ų | 69 | 54.8 Ų | 54.8 | 32% | 0.319 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 129.9 | 179.1 | -65.9 | -89.7 | 0 | 0 | 0 | 111.5 | V772 Y774 H792 | H688-V772 CarbonylContact C-O 3.55Å; H688-V772 WeakPolarHBondContact CA-O 3.35Å; H688-Y774 HydrophobicContact CB-CD1 4.36Å; H688-Y774 HydrophobicContact CB-CE1 4.1Å; H688-H792 AromaticContact CE1-CD2 3.99Å |
| 689 | V | 89.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.9 | -178.5 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | I687 F693 Y695 F740 V771 V772 I773 Y774 | I687-V689 HydrophobicContact CG2-CG2 4.15Å; V689-F693 HydrophobicContact CG1-CB 4.43Å; V689-Y695 HydrophobicContact CG1-CD2 4.44Å; V689-Y695 HydrophobicContact CG1-CG 4.45Å; V689-Y695 HydrophobicContact CG2-CD1 4.15Å; V689-Y695 HydrophobicContact CG2-CD2 3.97Å; V689-Y695 HydrophobicContact CG2-CE2 4.47Å; V689-Y695 HydrophobicContact CG2-CG 3.8Å; V689-F740 HydrophobicContact CG1-CB 4.1Å; V689-F740 HydrophobicContact CG1-CD2 4.34Å; V689-F740 HydrophobicContact CG1-CG 4.49Å; V689-V771 HydrophobicContact CG2-CG1 3.77Å; V689-V772 PolarHBondContact N-O 3.22Å; V689-I773 CarbonylContact O-C 3.56Å; V689-I773 WeakPolarHBondContact O-CA 3.26Å; V689-Y774 WeakPolarHBondContact O-CD1 3.33Å; V689-Y774 PolarHBondContact O-N 2.84Å |
| 690 | P | 88.4 | Confident | 86.9 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 20% | 0.195 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 138.8 | 172.2 | 23.8 | -29 | 0 | 0 | 0 | 110.5 | G692 F693 Y774 | P690-G692 PolarHBondContact O-N 3.2Å; P690-F693 HydrophobicContact CB-CD2 3.77Å; P690-F693 HydrophobicContact CB-CE2 4.07Å; P690-F693 HydrophobicContact CB-CG 4.44Å; P690-F693 HydrophobicContact CG-CB 4.13Å; P690-F693 HydrophobicContact CG-CD1 4.39Å; P690-F693 HydrophobicContact CG-CD2 3.59Å; P690-F693 HydrophobicContact CG-CE2 4.06Å; P690-F693 HydrophobicContact CG-CG 3.78Å; P690-F693 WeakPolarHBondContact O-CB 3.48Å; P690-F693 PolarHBondContact O-N 2.93Å; P690-Y774 HydrophobicContact CB-CE1 4.28Å; P690-Y774 HydrophobicContact CB-CE2 4.07Å |
| 691 | S | 89.2 | Confident | 87 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 24% | 0.238 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 131 | -177.1 | -173.5 | 0 | 0 | 0 | 0 | 111.7 | Y774 | S691-Y774 WeakPolarHBondContact CB-O 3.11Å; S691-Y774 PolarHBondContact N-O 3.3Å |
| 692 | G | 84.5 | Confident | 87.3 | Confident | 40 Ų | 40 | 59.2 Ų | 59.2 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.3 | 14.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | P690 F740 | P690-G692 PolarHBondContact O-N 3.2Å; G692-F740 PolarHBondContact N-O 2.69Å |
| 693 | F | 82.1 | Confident | 87.6 | Confident | 96 Ų | 96 | 54.8 Ų | 54.8 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 143.5 | 174.3 | -74.2 | -105.8 | 0 | 0 | 0 | 111.7 | V689 P690 F740 I806 | V689-F693 HydrophobicContact CG1-CB 4.43Å; P690-F693 HydrophobicContact CB-CD2 3.77Å; P690-F693 HydrophobicContact CB-CE2 4.07Å; P690-F693 HydrophobicContact CB-CG 4.44Å; P690-F693 HydrophobicContact CG-CB 4.13Å; P690-F693 HydrophobicContact CG-CD1 4.39Å; P690-F693 HydrophobicContact CG-CD2 3.59Å; P690-F693 HydrophobicContact CG-CE2 4.06Å; P690-F693 HydrophobicContact CG-CG 3.78Å; P690-F693 WeakPolarHBondContact O-CB 3.48Å; P690-F693 PolarHBondContact O-N 2.93Å; F693-F740 PolarHBondContact O-N 3.27Å; F693-F740 VanDerWaalsContact O-N 3.16Å; F693-I806 HydrophobicContact CE2-CD1 3.89Å; F693-I806 HydrophobicContact CZ-CD1 3.63Å |
| 694 | A | 86.2 | Confident | 87.9 | Confident | 72 Ų | 72 | 49.8 Ų | 49.8 | 60% | 0.595 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 126.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M738 | A694-M738 CarbonylContact C-O 3.5Å; A694-M738 WeakPolarHBondContact CA-O 3.14Å |
| 695 | Y | 87.7 | Confident | 88.1 | Confident | 99 Ų | 99 | 44 Ų | 44 | 39% | 0.388 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 152.4 | -174.7 | -160.9 | -89.8 | 0 | 0 | 0 | 111.5 | I687 V689 V697 R737 M738 | I687-Y695 HydrophobicContact CG2-CD1 4.14Å; I687-Y695 HydrophobicContact CG2-CE1 3.43Å; I687-Y695 VanDerWaalsContact CG2-CE1 3.43Å; V689-Y695 HydrophobicContact CG1-CD2 4.44Å; V689-Y695 HydrophobicContact CG1-CG 4.45Å; V689-Y695 HydrophobicContact CG2-CD1 4.15Å; V689-Y695 HydrophobicContact CG2-CD2 3.97Å; V689-Y695 HydrophobicContact CG2-CE2 4.47Å; V689-Y695 HydrophobicContact CG2-CG 3.8Å; Y695-V697 HydrophobicContact CD1-CG2 4.39Å; Y695-R737 WeakPolarHBondContact O-CA 3.48Å; Y695-M738 PolarHBondContact N-O 3.39Å; Y695-M738 PolarHBondContact O-N 2.89Å |
| 696 | A | 89.6 | Confident | 88.1 | Confident | 41 Ų | 41 | 47.8 Ų | 47.8 | 34% | 0.339 | 27% | 0.267 | S | S | . | . | trans | -114.2 | 129.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110 | R737 | A696-R737 HydrophobicContact CB-CG 3.77Š| ||
| 697 | V | 89.1 | Confident | 88 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 2% | 0.024 | 27% | 0.268 | C | S | . | . | trans | -98.5 | 139.6 | 179.2 | -180 | 0 | 0 | 0 | 0 | 109.7 | I687 Y695 V699 F715 C735 F740 L753 V771 | I687-V697 HydrophobicContact CD1-CG1 4.1Å; Y695-V697 HydrophobicContact CD1-CG2 4.39Å; V697-V699 HydrophobicContact CG1-CG1 4.5Å; V697-F715 HydrophobicContact CB-CE1 4.3Å; V697-F715 HydrophobicContact CB-CZ 3.75Å; V697-F715 HydrophobicContact CG1-CE1 4.32Å; V697-F715 HydrophobicContact CG1-CZ 4.02Å; V697-F715 HydrophobicContact CG2-CE1 3.9Å; V697-F715 HydrophobicContact CG2-CZ 3.73Å; V697-C735 HydrophobicContact CB-CB 4.42Å; V697-C735 PolarHBondContact O-N 2.84Å; V697-F740 HydrophobicContact CG2-CZ 4.26Å; V697-L753 HydrophobicContact CG1-CD2 4.25Å; V697-V771 HydrophobicContact CG2-CG2 4.03Å | ||
| 698 | T | 90.9 | Very high | 87.9 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 15% | 0.147 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 129.6 | 177.4 | -63.3 | 0 | 0 | 0 | 0 | 108.7 | L732 I733 H734 | T698-L732 HydrophobicContact CG2-CB 4.37Å; T698-L732 HydrophobicContact CG2-CD2 4.27Å; T698-I733 WeakPolarHBondContact CA-O 3.03Å; T698-H734 VanDerWaalsContact CG2-CE1 3.43Å; T698-H734 WeakPolarHBondContact CG2-CE1 3.38Å; T698-H734 VanDerWaalsContact CG2-ND1 3.3Å; T698-H734 WeakPolarHBondContact CG2-ND1 3.47Å; T698-H734 PolarHBondContact OG1-ND1 3.44Å |
| 699 | V | 91.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 163.8 | 176.3 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | I679 V697 L732 I733 L753 V755 V769 | I679-V699 HydrophobicContact CG2-CG2 4.35Å; V697-V699 HydrophobicContact CG1-CG1 4.5Å; V699-L732 CarbonylContact O-C 3.56Å; V699-L732 WeakPolarHBondContact O-CA 3.39Å; V699-I733 HydrophobicContact CG2-CB 4.09Å; V699-I733 PolarHBondContact N-O 2.92Å; V699-I733 PolarHBondContact O-N 2.75Å; V699-L753 HydrophobicContact CG1-CD2 3.53Å; V699-V755 HydrophobicContact CG2-CG2 4.18Å; V699-V769 HydrophobicContact CG1-CG1 3.98Å |
| 700 | R | 91.3 | Very high | 87.6 | Confident | 114 Ų | 114 | 54.7 Ų | 54.7 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 146 | 179.8 | -179.7 | 179.1 | -169.8 | -155.9 | 2.9 | 109.8 | I679 I680 D731 L732 | I679-R700 CarbonylContact C-O 3.55Å; I679-R700 WeakPolarHBondContact CA-O 3.31Å; I680-R700 HydrophobicContact CD1-CB 4.39Å; I680-R700 HydrophobicContact CD1-CG 4.19Å; I680-R700 HydrophobicContact CG1-CB 3.84Å; I680-R700 HydrophobicContact CG1-CG 4.12Å; I680-R700 PolarHBondContact N-O 3.36Å; I680-R700 PolarHBondContact O-N 3.16Å; R700-D731 CarbonylContact C-O 3.54Å; R700-D731 VanDerWaalsContact CA-O 3.25Å; R700-D731 WeakPolarHBondContact CA-O 3.44Å; R700-D731 HydrophobicContact CG-CB 4.41Å; R700-D731 WeakPolarHBondContact CG-O 3.43Å; R700-D731 IonicContact CZ-OD2 3.16Å; R700-D731 IonicContact NE-OD2 3.58Å; R700-D731 PolarHBondContact NE-OD2 2.9Å; R700-D731 IonicContact NH2-OD2 2.73Å; R700-D731 PolarHBondContact NH2-OD2 2.78Å; R700-L732 HydrophobicContact CB-CD2 3.89Å; R700-L732 HydrophobicContact CG-CD2 4.23Å |
| 701 | V | 90.2 | Very high | 87.7 | Confident | 10 Ų | 10 | 54 Ų | 54 | 6% | 0.061 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 149.6 | -179.3 | -77 | 0 | 0 | 0 | 0 | 112.6 | H678 I679 L704 D731 I733 L763 | H678-V701 WeakPolarHBondContact O-CA 3.36Å; I679-V701 HydrophobicContact CG2-CG1 3.7Å; V701-L704 HydrophobicContact CG2-CD2 4.2Å; V701-D731 VanDerWaalsContact CG2-O 3.29Å; V701-D731 WeakPolarHBondContact CG2-O 2.98Å; V701-D731 PolarHBondContact N-O 3.03Å; V701-I733 HydrophobicContact CG1-CD1 3.45Å; V701-I733 VanDerWaalsContact CG1-CD1 3.45Å; V701-I733 HydrophobicContact CG1-CG1 4.07Å; V701-I733 HydrophobicContact CG2-CD1 4.47Å; V701-I733 HydrophobicContact CG2-CG1 4.44Å; V701-L763 HydrophobicContact CG1-CD1 3.63Å |
| 702 | V | 90 | Very high | 87.9 | Confident | 46 Ų | 46 | 53.1 Ų | 53.1 | 28% | 0.279 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 147 | -178.6 | -175.1 | 0 | 0 | 0 | 0 | 109.4 | P677 H678 I680 L704 | P677-V702 WeakPolarHBondContact CA-O 3.27Å; H678-V702 PolarHBondContact N-O 2.97Å; H678-V702 PolarHBondContact O-N 3.08Å; I680-V702 HydrophobicContact CD1-CG2 3.66Å; I680-V702 HydrophobicContact CG1-CG2 4.14Å; V702-L704 PolarHBondContact O-N 3.47Å |
| 703 | N | 88.5 | Confident | 88.2 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 32% | 0.316 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 55.4 | 25.8 | -178.9 | -56.8 | -34.3 | 0 | 0 | 0 | 115.5 | S674 C676 P677 L705 | S674-N703 PolarHBondContact O-ND2 3.29Å; C676-N703 WeakPolarHBondContact O-CB 3.32Å; C676-N703 PolarHBondContact O-ND2 3.36Å; P677-N703 WeakPolarHBondContact CG-O 3.26Å; N703-L705 PolarHBondContact O-N 3.2Å |
| 704 | L | 87 | Confident | 88.7 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.152 | 27% | 0.269 | C | S | . | . | trans | -69.9 | 129.9 | 178.4 | -166.3 | 75.7 | 0 | 0 | 0 | 110.5 | V701 V702 Q708 F711 R728 L763 | V701-L704 HydrophobicContact CG2-CD2 4.2Å; V702-L704 PolarHBondContact O-N 3.47Å; L704-Q708 HydrophobicContact CD1-CB 3.81Å; L704-Q708 HydrophobicContact CD1-CG 4.34Å; L704-Q708 HydrophobicContact CG-CB 4.17Å; L704-F711 HydrophobicContact CD1-CE1 4.18Å; L704-F711 HydrophobicContact CD1-CZ 3.92Å; L704-F711 HydrophobicContact CD2-CE1 4.44Å; L704-F711 HydrophobicContact CD2-CE2 4.32Å; L704-F711 HydrophobicContact CD2-CZ 3.62Å; L704-F711 HydrophobicContact CG-CZ 4.35Å; L704-R728 VanDerWaalsContact CD2-CZ 3.44Å; L704-R728 VanDerWaalsContact CD2-NH1 3.32Å; L704-L763 HydrophobicContact CD1-CD1 4.14Å; L704-L763 HydrophobicContact CD1-CD2 3.93Å | ||
| 705 | L | 86.2 | Confident | 88.9 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 16% | 0.157 | 24% | 0.241 | C | C | . | . | trans | -92.2 | 151 | -178.9 | -61.3 | 167.9 | 0 | 0 | 0 | 111.2 | P640 N703 F707 Q708 | P640-L705 HydrophobicContact CB-CD1 3.41Å; P640-L705 VanDerWaalsContact CB-CD1 3.41Å; P640-L705 HydrophobicContact CG-CD1 4Å; N703-L705 PolarHBondContact O-N 3.2Å; L705-F707 HydrophobicContact CB-CD1 4.02Å; L705-F707 HydrophobicContact CB-CE1 3.56Å; L705-F707 HydrophobicContact CB-CE2 4.46Å; L705-F707 HydrophobicContact CB-CZ 3.81Å; L705-F707 HydrophobicContact CD1-CE1 3.67Å; L705-F707 HydrophobicContact CD1-CZ 3.52Å; L705-F707 HydrophobicContact CG-CE1 4.21Å; L705-F707 HydrophobicContact CG-CZ 4.31Å; L705-F707 PolarHBondContact O-N 2.97Å; L705-Q708 HydrophobicContact CB-CG 4.42Å; L705-Q708 WeakPolarHBondContact O-CB 3.47Å; L705-Q708 PolarHBondContact O-N 3.2Å | ||
| 706 | D | 83.6 | Confident | 89 | Confident | 141 Ų | 141 | 43.7 Ų | 43.7 | 75% | 0.754 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.1 | -169 | -63.7 | -36.2 | 0 | 0 | 0 | 114.7 | Q708 | D706-Q708 VanDerWaalsContact C-N 3.28Å; D706-Q708 PolarHBondContact O-N 3.08Å |
| 707 | F | 85.9 | Confident | 88.8 | Confident | 58 Ų | 58 | 42.8 Ų | 42.8 | 25% | 0.254 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -3.2 | 177.8 | 60.4 | -102.7 | 0 | 0 | 0 | 114.5 | P640 E641 Y657 L705 W757 | P640-F707 HydrophobicContact CB-CZ 4.14Å; E641-F707 HydrophobicContact CB-CE1 4.44Å; E641-F707 HydrophobicContact CB-CZ 4.14Å; Y657-F707 AromaticContact CD2-CE1 3.95Å; Y657-F707 HydrophobicContact CD2-CE1 3.95Å; Y657-F707 HydrophobicContact CE2-CD1 4.47Å; Y657-F707 HydrophobicContact CE2-CE1 4.21Å; L705-F707 HydrophobicContact CB-CD1 4.02Å; L705-F707 HydrophobicContact CB-CE1 3.56Å; L705-F707 HydrophobicContact CB-CE2 4.46Å; L705-F707 HydrophobicContact CB-CZ 3.81Å; L705-F707 HydrophobicContact CD1-CE1 3.67Å; L705-F707 HydrophobicContact CD1-CZ 3.52Å; L705-F707 HydrophobicContact CG-CE1 4.21Å; L705-F707 HydrophobicContact CG-CZ 4.31Å; L705-F707 PolarHBondContact O-N 2.97Å; F707-W757 AromaticContact CD2-CH2 3.8Å; F707-W757 HydrophobicContact CD2-CH2 3.8Å; F707-W757 AromaticContact CD2-CZ3 3.96Å; F707-W757 HydrophobicContact CD2-CZ3 3.96Å; F707-W757 AromaticContact CE2-CH2 3.64Å; F707-W757 HydrophobicContact CE2-CH2 3.64Å; F707-W757 HydrophobicContact CE2-CZ2 4.12Å; F707-W757 HydrophobicContact CE2-CZ3 4.25Å |
| 708 | Q | 87.2 | Confident | 88.2 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | trans | -95 | 98.1 | -176.3 | -57.1 | -177.3 | -91.2 | 0 | 0 | 111.2 | L704 L705 D706 F711 W757 | L704-Q708 HydrophobicContact CD1-CB 3.81Å; L704-Q708 HydrophobicContact CD1-CG 4.34Å; L704-Q708 HydrophobicContact CG-CB 4.17Å; L705-Q708 HydrophobicContact CB-CG 4.42Å; L705-Q708 WeakPolarHBondContact O-CB 3.47Å; L705-Q708 PolarHBondContact O-N 3.2Å; D706-Q708 VanDerWaalsContact C-N 3.28Å; D706-Q708 PolarHBondContact O-N 3.08Å; Q708-F711 HydrophobicContact CB-CZ 4.48Å; Q708-F711 VanDerWaalsContact O-CE2 3.32Å; Q708-F711 WeakPolarHBondContact O-CE2 3.33Å; Q708-F711 VanDerWaalsContact O-CZ 3.31Å; Q708-F711 WeakPolarHBondContact O-CZ 3.04Å; Q708-W757 HydrophobicContact CB-CB 4.08Å; Q708-W757 HydrophobicContact CB-CD2 3.88Å; Q708-W757 HydrophobicContact CB-CE3 3.87Å; Q708-W757 HydrophobicContact CB-CG 4.01Å; Q708-W757 HydrophobicContact CB-CZ3 4.49Å; Q708-W757 HydrophobicContact CG-CD2 3.73Å; Q708-W757 HydrophobicContact CG-CE3 3.84Å; Q708-W757 HydrophobicContact CG-CG 4.18Å; Q708-W757 HydrophobicContact CG-CH2 4.21Å; Q708-W757 HydrophobicContact CG-CZ2 4.13Å; Q708-W757 HydrophobicContact CG-CZ3 4.08Å; Q708-W757 VanDerWaalsContact NE2-CD1 3.25Å; Q708-W757 VanDerWaalsContact NE2-CE2 3.31Å | ||
| 709 | T | 83.3 | Confident | 87.6 | Confident | 110 Ų | 110 | 50.3 Ų | 50.3 | 68% | 0.675 | 29% | 0.286 | S | S | * | . | trans | -129.3 | -8.4 | -159.6 | 51.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 710 | D | 87.3 | Confident | 87.1 | Confident | 107 Ų | 107 | 53.1 Ų | 53.1 | 57% | 0.572 | 31% | 0.306 | S | S | * | . | trans | -119.9 | 88.9 | -174.7 | -172.4 | 25.2 | 0 | 0 | 0 | 113 | W757 | D710-W757 CarbonylContact C-O 3.46Å; D710-W757 PolarHBondContact N-O 3.25Å; D710-W757 CarbonylContact O-C 3.48Å; D710-W757 VanDerWaalsContact O-CA 3.24Å; D710-W757 WeakPolarHBondContact O-CA 3.45Å; D710-W757 VanDerWaalsContact O-O 3.12Å | ||
| 711 | F | 91.4 | Very high | 86.8 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 8% | 0.075 | 32% | 0.315 | C | S | . | . | trans | -91.9 | 134.2 | -167.5 | -66.6 | -77.5 | 0 | 0 | 0 | 115.6 | L704 Q708 A726 R728 I733 V755 T756 W757 L763 | L704-F711 HydrophobicContact CD1-CE1 4.18Å; L704-F711 HydrophobicContact CD1-CZ 3.92Å; L704-F711 HydrophobicContact CD2-CE1 4.44Å; L704-F711 HydrophobicContact CD2-CE2 4.32Å; L704-F711 HydrophobicContact CD2-CZ 3.62Å; L704-F711 HydrophobicContact CG-CZ 4.35Å; Q708-F711 HydrophobicContact CB-CZ 4.48Å; Q708-F711 VanDerWaalsContact O-CE2 3.32Å; Q708-F711 WeakPolarHBondContact O-CE2 3.33Å; Q708-F711 VanDerWaalsContact O-CZ 3.31Å; Q708-F711 WeakPolarHBondContact O-CZ 3.04Å; F711-A726 HydrophobicContact CB-CB 4.11Å; F711-A726 PolarHBondContact O-N 2.85Å; F711-R728 HydrophobicContact CD2-CB 4.03Å; F711-R728 HydrophobicContact CE2-CB 4.27Å; F711-I733 HydrophobicContact CD1-CD1 3.45Å; F711-I733 VanDerWaalsContact CD1-CD1 3.45Å; F711-I733 HydrophobicContact CE1-CD1 3.74Å; F711-I733 HydrophobicContact CG-CD1 3.99Å; F711-I733 HydrophobicContact CZ-CD1 4.5Å; F711-V755 HydrophobicContact CD1-CG1 4.25Å; F711-T756 VanDerWaalsContact CA-O 3.29Å; F711-T756 WeakPolarHBondContact CA-O 3.15Å; F711-W757 HydrophobicContact CD1-CB 4.1Å; F711-W757 HydrophobicContact CE1-CB 3.59Å; F711-W757 HydrophobicContact CZ-CB 4.06Å; F711-L763 HydrophobicContact CE1-CD1 4.18Å | ||
| 712 | A | 92 | Very high | 86.8 | Confident | 14 Ų | 14 | 58.6 Ų | 58.6 | 12% | 0.116 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 148.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K723 V755 T756 | A712-K723 HydrophobicContact CB-CG 4.5Å; A712-V755 WeakPolarHBondContact O-CA 3.28Å; A712-T756 PolarHBondContact N-O 3.44Å; A712-T756 PolarHBondContact O-N 3.13Å |
| 713 | C | 92 | Very high | 86.7 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.007 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 140.4 | 172.5 | -56.5 | 0 | 0 | 0 | 0 | 110 | F715 K723 L724 A726 C735 L753 S754 | C713-F715 HydrophobicContact CB-CE2 3.94Å; C713-K723 WeakPolarHBondContact O-CA 3.49Å; C713-L724 PolarHBondContact N-O 3.3Å; C713-L724 PolarHBondContact O-N 2.91Å; C713-A726 VanDerWaalsContact SG-CB 3.59Å; C713-C735 HydrophobicContact CB-CB 3.75Å; C713-C735 WeakPolarHBondContact CB-SG 3.42Å; C713-C735 WeakPolarHBondContact SG-CB 3.38Å; C713-C735 CovalentContact SG-SG 2.04Å; C713-C735 PolarHBondContact SG-SG 3.44Å; C713-L753 HydrophobicContact CB-CD1 4.07Å; C713-S754 CarbonylContact C-O 3.49Å; C713-S754 WeakPolarHBondContact CA-O 3.12Å |
| 714 | E | 91.5 | Very high | 86.7 | Confident | 60 Ų | 60 | 62 Ų | 62 | 28% | 0.28 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 126.5 | 174.5 | -173.9 | 172.1 | -165.7 | 0 | 0 | 110.4 | R721 H722 L753 S754 | E714-R721 WeakPolarHBondContact OE1-CD 3.37Å; E714-H722 WeakPolarHBondContact CA-O 3.45Å; E714-L753 WeakPolarHBondContact O-CA 3.48Å; E714-S754 PolarHBondContact N-O 3.19Å; E714-S754 PolarHBondContact O-N 3.38Å |
| 715 | F | 91.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 129 | 179.7 | -68.1 | -87.2 | 0 | 0 | 0 | 111.4 | V697 C713 R721 H722 L724 C735 K752 L753 V771 | V697-F715 HydrophobicContact CB-CE1 4.3Å; V697-F715 HydrophobicContact CB-CZ 3.75Å; V697-F715 HydrophobicContact CG1-CE1 4.32Å; V697-F715 HydrophobicContact CG1-CZ 4.02Å; V697-F715 HydrophobicContact CG2-CE1 3.9Å; V697-F715 HydrophobicContact CG2-CZ 3.73Å; C713-F715 HydrophobicContact CB-CE2 3.94Å; F715-R721 CarbonylContact O-C 3.53Å; F715-R721 WeakPolarHBondContact O-CA 3.44Å; F715-H722 HydrophobicContact CB-CB 4.41Å; F715-H722 PolarHBondContact N-O 2.86Å; F715-H722 PolarHBondContact O-N 2.99Å; F715-L724 HydrophobicContact CD2-CD1 3.95Å; F715-L724 HydrophobicContact CE2-CD1 3.86Å; F715-C735 HydrophobicContact CE2-CB 4.25Å; F715-C735 HydrophobicContact CZ-CB 4.45Å; F715-K752 VanDerWaalsContact CA-O 3.3Å; F715-K752 WeakPolarHBondContact CA-O 3.39Å; F715-L753 HydrophobicContact CD1-CD1 4.36Å; F715-L753 HydrophobicContact CE1-CB 4.31Å; F715-L753 HydrophobicContact CE1-CD1 3.81Å; F715-L753 HydrophobicContact CE1-CG 4.49Å; F715-L753 HydrophobicContact CE2-CD1 4.12Å; F715-L753 HydrophobicContact CZ-CD1 3.67Å; F715-V771 HydrophobicContact CE1-CG2 4.22Å |
| 716 | E | 89.5 | Confident | 87.1 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 108.7 | 176 | -170.7 | 170.6 | -108.9 | 0 | 0 | 109.5 | S720 R721 A751 K752 | E716-S720 WeakPolarHBondContact CA-O 3.49Å; E716-R721 HydrophobicContact CG-CG 4.34Å; E716-R721 IonicContact OE1-CZ 2.72Å; E716-R721 VanDerWaalsContact OE1-CZ 3.32Å; E716-R721 IonicContact OE1-NE 3.52Å; E716-R721 PolarHBondContact OE1-NE 3.2Å; E716-R721 IonicContact OE1-NH2 3.64Å; E716-R721 PolarHBondContact OE1-NH2 2.97Å; E716-A751 VanDerWaalsContact O-CA 3.28Å; E716-A751 WeakPolarHBondContact O-CA 3.36Å; E716-K752 HydrophobicContact CB-CB 4.32Å; E716-K752 PolarHBondContact N-O 3.32Å; E716-K752 PolarHBondContact O-N 2.9Å; E716-K752 VanDerWaalsContact O-N 3.1Å; E716-K752 IonicContact OE2-NZ 2.83Å; E716-K752 PolarHBondContact OE2-NZ 2.88Å |
| 717 | I | 86 | Confident | 87.4 | Confident | 22 Ų | 22 | 71.5 Ų | 71.5 | 11% | 0.113 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 101.4 | 179.1 | -53.2 | 174 | 0 | 0 | 0 | 107.8 | S719 S720 M738 F740 A751 | I717-S719 PolarHBondContact O-N 3.2Å; I717-S719 VanDerWaalsContact O-N 3.15Å; I717-S720 PolarHBondContact N-O 3.43Å; I717-S720 PolarHBondContact O-N 3.29Å; I717-M738 HydrophobicContact CD1-CE 3.96Å; I717-F740 HydrophobicContact CD1-CD1 4.47Å; I717-A751 HydrophobicContact CG1-CB 3.73Å |
| 718 | G | 76.6 | Confident | 87.4 | Confident | 65 Ų | 65 | 74.3 Ų | 74.3 | 67% | 0.67 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | -115.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 719 | S | 77.2 | Confident | 87.4 | Confident | 121 Ų | 121 | 79.4 Ų | 79.4 | 85% | 0.846 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.5 | -4.5 | 174.4 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | I717 | I717-S719 PolarHBondContact O-N 3.2Å; I717-S719 VanDerWaalsContact O-N 3.15Å |
| 720 | S | 81.9 | Confident | 87.5 | Confident | 59 Ų | 59 | 76.7 Ų | 76.7 | 41% | 0.413 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 133.6 | -174.4 | -67.7 | 0 | 0 | 0 | 0 | 111.7 | E716 I717 H722 | E716-S720 WeakPolarHBondContact CA-O 3.49Å; I717-S720 PolarHBondContact N-O 3.43Å; I717-S720 PolarHBondContact O-N 3.29Å; S720-H722 WeakPolarHBondContact CB-NE2 3.47Å |
| 721 | R | 84.9 | Confident | 87.5 | Confident | 169 Ų | 169 | 74.5 Ų | 74.5 | 64% | 0.638 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 129 | 176.9 | -68.5 | -175 | 177.7 | 177.7 | -0.2 | 111.4 | E714 F715 E716 | E714-R721 WeakPolarHBondContact OE1-CD 3.37Å; F715-R721 CarbonylContact O-C 3.53Å; F715-R721 WeakPolarHBondContact O-CA 3.44Å; E716-R721 HydrophobicContact CG-CG 4.34Å; E716-R721 IonicContact OE1-CZ 2.72Å; E716-R721 VanDerWaalsContact OE1-CZ 3.32Å; E716-R721 IonicContact OE1-NE 3.52Å; E716-R721 PolarHBondContact OE1-NE 3.2Å; E716-R721 IonicContact OE1-NH2 3.64Å; E716-R721 PolarHBondContact OE1-NH2 2.97Å |
| 722 | H | 88.8 | Confident | 87.5 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 32% | 0.319 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 106.4 | -176.4 | -60 | -90.1 | 0 | 0 | 0 | 109.7 | E714 F715 S720 M738 | E714-H722 WeakPolarHBondContact CA-O 3.45Å; F715-H722 HydrophobicContact CB-CB 4.41Å; F715-H722 PolarHBondContact N-O 2.86Å; F715-H722 PolarHBondContact O-N 2.99Å; S720-H722 WeakPolarHBondContact CB-NE2 3.47Å; H722-M738 HydrophobicContact CB-CE 3.88Å; H722-M738 HydrophobicContact CB-SD 3.96Å; H722-M738 VanDerWaalsContact CG-CE 3.41Å; H722-M738 WeakPolarHBondContact ND1-CE 3.43Å |
| 723 | K | 88.5 | Confident | 87.4 | Confident | 140 Ų | 140 | 74.9 Ų | 74.9 | 61% | 0.609 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 121.1 | 177.2 | -170.5 | 172.3 | -176.2 | 172.3 | 0 | 110.3 | A712 C713 | A712-K723 HydrophobicContact CB-CG 4.5Å; C713-K723 WeakPolarHBondContact O-CA 3.49Å |
| 724 | L | 89.7 | Confident | 87.4 | Confident | 36 Ų | 36 | 77.6 Ų | 77.6 | 19% | 0.188 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 148 | 179.2 | -62.2 | 174.3 | 0 | 0 | 0 | 109.7 | C713 F715 M738 | C713-L724 PolarHBondContact N-O 3.3Å; C713-L724 PolarHBondContact O-N 2.91Å; F715-L724 HydrophobicContact CD2-CD1 3.95Å; F715-L724 HydrophobicContact CE2-CD1 3.86Å; L724-M738 HydrophobicContact CD1-CB 4.03Å; L724-M738 HydrophobicContact CD1-SD 4.3Å |
| 725 | R | 90 | Very high | 87.4 | Confident | 205 Ų | 205 | 75 Ų | 75 | 77% | 0.774 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 149.9 | 169.3 | -69.1 | 179.5 | 174.6 | 176.2 | -2.5 | 108.9 | D736 | R725-D736 PolarHBondContact O-N 3.21Å |
| 726 | A | 90.2 | Very high | 87.4 | Confident | 15 Ų | 15 | 77.9 Ų | 77.9 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F711 C713 I733 H734 | F711-A726 HydrophobicContact CB-CB 4.11Å; F711-A726 PolarHBondContact O-N 2.85Å; C713-A726 VanDerWaalsContact SG-CB 3.59Å; A726-I733 HydrophobicContact CB-CG2 3.63Å; A726-H734 CarbonylContact C-O 3.54Å; A726-H734 VanDerWaalsContact CA-O 3.22Å; A726-H734 WeakPolarHBondContact CA-O 3.39Å |
| 727 | R | 89.7 | Confident | 87.4 | Confident | 180 Ų | 180 | 85.5 Ų | 85.5 | 68% | 0.679 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.3 | 175 | -61.9 | -178.3 | -168.1 | 153.9 | 10 | 109.1 | I733 H734 | R727-I733 WeakPolarHBondContact O-CA 3.02Å; R727-H734 PolarHBondContact N-O 2.85Å; R727-H734 PolarHBondContact O-N 3.42Å |
| 728 | R | 87.2 | Confident | 87.5 | Confident | 117 Ų | 117 | 86 Ų | 86 | 44% | 0.442 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 127.8 | 171.1 | -179.7 | 179.4 | 171 | -168.8 | -2.1 | 109.3 | L704 F711 G730 L732 | L704-R728 VanDerWaalsContact CD2-CZ 3.44Å; L704-R728 VanDerWaalsContact CD2-NH1 3.32Å; F711-R728 HydrophobicContact CD2-CB 4.03Å; F711-R728 HydrophobicContact CE2-CB 4.27Å; R728-G730 PolarHBondContact NE-O 3.31Å; R728-G730 PolarHBondContact NH2-O 3.08Å; R728-L732 CarbonylContact C-O 3.56Å; R728-L732 VanDerWaalsContact CA-O 3.31Å; R728-L732 WeakPolarHBondContact CA-O 3.38Å |
| 729 | D | 86.5 | Confident | 88.1 | Confident | 111 Ų | 111 | 88.3 Ų | 88.3 | 59% | 0.594 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 102.5 | 170.1 | -172.8 | 10.7 | 0 | 0 | 0 | 108.1 | D731 L732 | D729-D731 PolarHBondContact O-N 3.01Å; D729-D731 VanDerWaalsContact O-N 3.08Å; D729-L732 PolarHBondContact N-O 3.41Å; D729-L732 WeakPolarHBondContact O-CB 3.25Å; D729-L732 PolarHBondContact O-N 3.17Å |
| 730 | G | 85.5 | Confident | 88.6 | Confident | 53 Ų | 53 | 82.6 Ų | 82.6 | 55% | 0.546 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -110.1 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | R728 | R728-G730 PolarHBondContact NE-O 3.31Å; R728-G730 PolarHBondContact NH2-O 3.08Å |
| 731 | D | 87.8 | Confident | 88.8 | Confident | 61 Ų | 61 | 82.6 Ų | 82.6 | 33% | 0.326 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 5.5 | 175.2 | 67 | -8.4 | 0 | 0 | 0 | 113.4 | R700 V701 D729 | R700-D731 CarbonylContact C-O 3.54Å; R700-D731 VanDerWaalsContact CA-O 3.25Å; R700-D731 WeakPolarHBondContact CA-O 3.44Å; R700-D731 HydrophobicContact CG-CB 4.41Å; R700-D731 WeakPolarHBondContact CG-O 3.43Å; R700-D731 IonicContact CZ-OD2 3.16Å; R700-D731 IonicContact NE-OD2 3.58Å; R700-D731 PolarHBondContact NE-OD2 2.9Å; R700-D731 IonicContact NH2-OD2 2.73Å; R700-D731 PolarHBondContact NH2-OD2 2.78Å; V701-D731 VanDerWaalsContact CG2-O 3.29Å; V701-D731 WeakPolarHBondContact CG2-O 2.98Å; V701-D731 PolarHBondContact N-O 3.03Å; D729-D731 PolarHBondContact O-N 3.01Å; D729-D731 VanDerWaalsContact O-N 3.08Å |
| 732 | L | 91.1 | Very high | 88.9 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 20% | 0.204 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 144.8 | 175.6 | -61.4 | 176 | 0 | 0 | 0 | 111.6 | T698 V699 R700 R728 D729 | T698-L732 HydrophobicContact CG2-CB 4.37Å; T698-L732 HydrophobicContact CG2-CD2 4.27Å; V699-L732 CarbonylContact O-C 3.56Å; V699-L732 WeakPolarHBondContact O-CA 3.39Å; R700-L732 HydrophobicContact CB-CD2 3.89Å; R700-L732 HydrophobicContact CG-CD2 4.23Å; R728-L732 CarbonylContact C-O 3.56Å; R728-L732 VanDerWaalsContact CA-O 3.31Å; R728-L732 WeakPolarHBondContact CA-O 3.38Å; D729-L732 PolarHBondContact N-O 3.41Å; D729-L732 WeakPolarHBondContact O-CB 3.25Å; D729-L732 PolarHBondContact O-N 3.17Å |
| 733 | I | 90.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 115.7 | 168.8 | -66.6 | -176.5 | 0 | 0 | 0 | 107.8 | T698 V699 V701 F711 A726 R727 V755 | T698-I733 WeakPolarHBondContact CA-O 3.03Å; V699-I733 HydrophobicContact CG2-CB 4.09Å; V699-I733 PolarHBondContact N-O 2.92Å; V699-I733 PolarHBondContact O-N 2.75Å; V701-I733 HydrophobicContact CG1-CD1 3.45Å; V701-I733 VanDerWaalsContact CG1-CD1 3.45Å; V701-I733 HydrophobicContact CG1-CG1 4.07Å; V701-I733 HydrophobicContact CG2-CD1 4.47Å; V701-I733 HydrophobicContact CG2-CG1 4.44Å; F711-I733 HydrophobicContact CD1-CD1 3.45Å; F711-I733 VanDerWaalsContact CD1-CD1 3.45Å; F711-I733 HydrophobicContact CE1-CD1 3.74Å; F711-I733 HydrophobicContact CG-CD1 3.99Å; F711-I733 HydrophobicContact CZ-CD1 4.5Å; A726-I733 HydrophobicContact CB-CG2 3.63Å; R727-I733 WeakPolarHBondContact O-CA 3.02Å; I733-V755 HydrophobicContact CD1-CG1 3.75Å; I733-V755 HydrophobicContact CG2-CG1 4.38Å |
| 734 | H | 91.8 | Very high | 88.1 | Confident | 58 Ų | 58 | 79.4 Ų | 79.4 | 27% | 0.269 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 115 | 178.1 | -61.7 | -72.6 | 0 | 0 | 0 | 110 | T698 A726 R727 | T698-H734 VanDerWaalsContact CG2-CE1 3.43Å; T698-H734 WeakPolarHBondContact CG2-CE1 3.38Å; T698-H734 VanDerWaalsContact CG2-ND1 3.3Å; T698-H734 WeakPolarHBondContact CG2-ND1 3.47Å; T698-H734 PolarHBondContact OG1-ND1 3.44Å; A726-H734 CarbonylContact C-O 3.54Å; A726-H734 VanDerWaalsContact CA-O 3.22Å; A726-H734 WeakPolarHBondContact CA-O 3.39Å; R727-H734 PolarHBondContact N-O 2.85Å; R727-H734 PolarHBondContact O-N 3.42Å |
| 735 | C | 91.7 | Very high | 87.6 | Confident | 6 Ų | 6 | 85.3 Ų | 85.3 | 4% | 0.041 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 145 | 170.3 | -45.5 | 0 | 0 | 0 | 0 | 109.8 | V697 C713 F715 | V697-C735 HydrophobicContact CB-CB 4.42Å; V697-C735 PolarHBondContact O-N 2.84Å; C713-C735 HydrophobicContact CB-CB 3.75Å; C713-C735 WeakPolarHBondContact CB-SG 3.42Å; C713-C735 WeakPolarHBondContact SG-CB 3.38Å; C713-C735 CovalentContact SG-SG 2.04Å; C713-C735 PolarHBondContact SG-SG 3.44Å; F715-C735 HydrophobicContact CE2-CB 4.25Å; F715-C735 HydrophobicContact CZ-CB 4.45Å |
| 736 | D | 90.9 | Very high | 87.4 | Confident | 63 Ų | 63 | 80 Ų | 80 | 34% | 0.337 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -59.2 | 160.4 | 174.2 | -74.9 | -31.8 | 0 | 0 | 0 | 112.7 | R725 | R725-D736 PolarHBondContact O-N 3.21Š|
| 737 | R | 89.1 | Confident | 87.1 | Confident | 206 Ų | 206 | 81.5 Ų | 81.5 | 78% | 0.777 | 40% | 0.395 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 139.9 | -179.3 | -80.8 | 179.3 | -179.5 | -174.1 | 0.4 | 112.3 | Y695 A696 | Y695-R737 WeakPolarHBondContact O-CA 3.48Å; A696-R737 HydrophobicContact CB-CG 3.77Å |
| 738 | M | 88.5 | Confident | 87.1 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 16% | 0.163 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 145.3 | 176.2 | -176.7 | 175 | 176.9 | 0 | 0 | 111.3 | A694 Y695 I717 H722 L724 F740 | A694-M738 CarbonylContact C-O 3.5Å; A694-M738 WeakPolarHBondContact CA-O 3.14Å; Y695-M738 PolarHBondContact N-O 3.39Å; Y695-M738 PolarHBondContact O-N 2.89Å; I717-M738 HydrophobicContact CD1-CE 3.96Å; H722-M738 HydrophobicContact CB-CE 3.88Å; H722-M738 HydrophobicContact CB-SD 3.96Å; H722-M738 VanDerWaalsContact CG-CE 3.41Å; H722-M738 WeakPolarHBondContact ND1-CE 3.43Å; L724-M738 HydrophobicContact CD1-CB 4.03Å; L724-M738 HydrophobicContact CD1-SD 4.3Å; M738-F740 HydrophobicContact CB-CE2 4.25Å; M738-F740 WeakPolarHBondContact O-CD2 3.38Å |
| 739 | E | 89.2 | Confident | 87.2 | Confident | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 124.4 | 169 | -168.2 | -172.8 | 142.2 | 0 | 0 | 110.4 | ||
| 740 | F | 88 | Confident | 87.4 | Confident | 1 Ų | 1 | 70.3 Ų | 70.3 | 0% | 0.004 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 105.7 | 179.7 | -72.9 | -89.8 | 0 | 0 | 0 | 110.2 | V689 G692 F693 V697 I717 M738 V771 I773 | V689-F740 HydrophobicContact CG1-CB 4.1Å; V689-F740 HydrophobicContact CG1-CD2 4.34Å; V689-F740 HydrophobicContact CG1-CG 4.49Å; G692-F740 PolarHBondContact N-O 2.69Å; F693-F740 PolarHBondContact O-N 3.27Å; F693-F740 VanDerWaalsContact O-N 3.16Å; V697-F740 HydrophobicContact CG2-CZ 4.26Å; I717-F740 HydrophobicContact CD1-CD1 4.47Å; M738-F740 HydrophobicContact CB-CE2 4.25Å; M738-F740 WeakPolarHBondContact O-CD2 3.38Å; F740-V771 HydrophobicContact CD1-CG1 3.99Å; F740-V771 HydrophobicContact CE1-CB 4.15Å; F740-V771 HydrophobicContact CE1-CG1 3.82Å; F740-V771 HydrophobicContact CE1-CG2 4.27Å; F740-V771 HydrophobicContact CZ-CG1 4.21Å; F740-V771 HydrophobicContact CZ-CG2 4.36Å; F740-I773 HydrophobicContact CB-CD1 3.95Å; F740-I773 HydrophobicContact CB-CG1 4.07Å; F740-I773 HydrophobicContact CB-CG2 4.14Å; F740-I773 HydrophobicContact CD1-CD1 4.04Å; F740-I773 HydrophobicContact CD1-CG1 4.28Å; F740-I773 WeakPolarHBondContact O-CG2 3.43Å |
| 741 | S | 85.5 | Confident | 87.6 | Confident | 58 Ų | 58 | 67.9 Ų | 67.9 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | trans | -134.3 | 151.4 | 179.6 | 59.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 742 | Y | 87.8 | Confident | 87.6 | Confident | 17 Ų | 17 | 71 Ų | 71 | 7% | 0.067 | 35% | 0.346 | C | S | . | . | trans | -148.5 | 143.5 | 174.8 | 67.8 | -86 | 0 | 0 | 0 | 110.6 | D744 L746 P747 N748 V749 I773 K775 | Y742-D744 HydrophobicContact CD2-CB 4.07Å; Y742-D744 HydrophobicContact CE2-CB 4.47Å; Y742-D744 WeakPolarHBondContact CE2-O 3.45Å; Y742-L746 PolarHBondContact OH-O 2.86Å; Y742-L746 VanDerWaalsContact OH-O 3.07Å; Y742-P747 VanDerWaalsContact OH-C 3.24Å; Y742-P747 PolarHBondContact OH-O 3.1Å; Y742-P747 VanDerWaalsContact OH-O 3.11Å; Y742-N748 WeakPolarHBondContact OH-CA 3.41Å; Y742-N748 PolarHBondContact OH-N 2.7Å; Y742-V749 HydrophobicContact CD1-CB 4.14Å; Y742-V749 HydrophobicContact CD1-CG2 4.23Å; Y742-V749 HydrophobicContact CD2-CB 4.22Å; Y742-V749 HydrophobicContact CD2-CG2 3.41Å; Y742-V749 VanDerWaalsContact CD2-CG2 3.41Å; Y742-V749 HydrophobicContact CE1-CB 4.47Å; Y742-V749 HydrophobicContact CE1-CG2 4.47Å; Y742-V749 HydrophobicContact CE2-CG2 3.72Å; Y742-V749 HydrophobicContact CG-CB 4.01Å; Y742-V749 HydrophobicContact CG-CG2 3.7Å; Y742-I773 HydrophobicContact CD1-CB 3.73Å; Y742-I773 HydrophobicContact CD1-CD1 4.27Å; Y742-I773 HydrophobicContact CD1-CG2 3.68Å; Y742-I773 HydrophobicContact CE1-CB 3.76Å; Y742-I773 HydrophobicContact CE1-CG2 3.72Å; Y742-I773 WeakPolarHBondContact CE1-O 3.43Å; Y742-K775 HydrophobicContact CE2-CD 4.37Å; Y742-K775 PolarHBondContact O-NZ 2.97Å; Y742-K775 VanDerWaalsContact O-NZ 3.09Å; Y742-K775 WeakPolarHBondContact OH-CD 3.34Å | ||
| 743 | F | 82.3 | Confident | 87.6 | Confident | 203 Ų | 203 | 69.7 Ų | 69.7 | 89% | 0.89 | 34% | 0.34 | S | S | * | . | trans | -81.5 | -24.5 | -172.1 | -67.2 | -75.8 | 0 | 0 | 0 | 114 | ||||
| 744 | D | 76.8 | Confident | 87.6 | Confident | 92 Ų | 92 | 71.8 Ų | 71.8 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -61.1 | 151.8 | -173.8 | -56.1 | -47.4 | 0 | 0 | 0 | 114 | Y742 L746 K775 | Y742-D744 HydrophobicContact CD2-CB 4.07Å; Y742-D744 HydrophobicContact CE2-CB 4.47Å; Y742-D744 WeakPolarHBondContact CE2-O 3.45Å; D744-L746 HydrophobicContact CB-CB 4.35Å; D744-L746 HydrophobicContact CB-CD1 4.23Å; D744-L746 HydrophobicContact CB-CG 4.12Å; D744-L746 PolarHBondContact O-N 3.13Å; D744-K775 PolarHBondContact O-NZ 3.08Å |
| 745 | H | 79.9 | Confident | 87.5 | Confident | 159 Ų | 159 | 69.1 Ų | 69.1 | 74% | 0.736 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -77 | 3.8 | 174.1 | -62.2 | -42.8 | 0 | 0 | 0 | 114.1 | ||
| 746 | L | 84.8 | Confident | 87.5 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 49% | 0.492 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -63.3 | 153 | 174.2 | -63.6 | 173.8 | 0 | 0 | 0 | 110.9 | Y742 D744 N748 V749 | Y742-L746 PolarHBondContact OH-O 2.86Å; Y742-L746 VanDerWaalsContact OH-O 3.07Å; D744-L746 HydrophobicContact CB-CB 4.35Å; D744-L746 HydrophobicContact CB-CD1 4.23Å; D744-L746 HydrophobicContact CB-CG 4.12Å; D744-L746 PolarHBondContact O-N 3.13Å; L746-N748 VanDerWaalsContact C-N 3.3Å; L746-V749 HydrophobicContact CD1-CG2 4.39Å |
| 747 | P | 85.3 | Confident | 87.4 | Confident | 47 Ų | 47 | 67.7 Ų | 67.7 | 31% | 0.305 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -70.6 | -24.4 | 174.2 | 28 | -33.9 | 0 | 0 | 0 | 113.1 | Y742 Y774 K775 L779 | Y742-P747 VanDerWaalsContact OH-C 3.24Å; Y742-P747 PolarHBondContact OH-O 3.1Å; Y742-P747 VanDerWaalsContact OH-O 3.11Å; P747-Y774 WeakPolarHBondContact O-CA 2.94Å; P747-K775 PolarHBondContact O-N 3.02Å; P747-L779 HydrophobicContact CB-CD2 3.77Å |
| 748 | N | 88.7 | Confident | 87.2 | Confident | 69 Ų | 69 | 59.8 Ų | 59.8 | 37% | 0.369 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 162.5 | 176.9 | 57.7 | 9.6 | 0 | 0 | 0 | 115.3 | Y742 L746 V772 I773 | Y742-N748 WeakPolarHBondContact OH-CA 3.41Å; Y742-N748 PolarHBondContact OH-N 2.7Å; L746-N748 VanDerWaalsContact C-N 3.3Å; N748-V772 HydrophobicContact CB-CG1 4.23Å; N748-I773 CarbonylContact C-O 3.53Å; N748-I773 WeakPolarHBondContact CA-O 3.41Å; N748-I773 WeakPolarHBondContact CB-O 3.19Å |
| 749 | V | 89.9 | Confident | 86.8 | Confident | 28 Ų | 28 | 63.3 Ų | 63.3 | 17% | 0.17 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 153.6 | 177.5 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | Y742 L746 V772 I773 | Y742-V749 HydrophobicContact CD1-CB 4.14Å; Y742-V749 HydrophobicContact CD1-CG2 4.23Å; Y742-V749 HydrophobicContact CD2-CB 4.22Å; Y742-V749 HydrophobicContact CD2-CG2 3.41Å; Y742-V749 VanDerWaalsContact CD2-CG2 3.41Å; Y742-V749 HydrophobicContact CE1-CB 4.47Å; Y742-V749 HydrophobicContact CE1-CG2 4.47Å; Y742-V749 HydrophobicContact CE2-CG2 3.72Å; Y742-V749 HydrophobicContact CG-CB 4.01Å; Y742-V749 HydrophobicContact CG-CG2 3.7Å; L746-V749 HydrophobicContact CD1-CG2 4.39Å; V749-V772 CarbonylContact O-C 3.54Å; V749-V772 WeakPolarHBondContact O-CA 3.33Å; V749-I773 PolarHBondContact N-O 3.42Å; V749-I773 PolarHBondContact O-N 3.5Å |
| 750 | T | 90.6 | Very high | 86.2 | Confident | 76 Ų | 76 | 61.9 Ų | 61.9 | 47% | 0.466 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 144.8 | -176.5 | -51.1 | 0 | 0 | 0 | 0 | 113.1 | R770 V771 V772 | T750-R770 HydrophobicContact CG2-CB 4.22Å; T750-R770 HydrophobicContact CG2-CG 4.19Å; T750-V771 CarbonylContact C-O 3.52Å; T750-V771 VanDerWaalsContact CA-O 3.29Å; T750-V771 WeakPolarHBondContact CA-O 3.46Å; T750-V772 HydrophobicContact CG2-CG2 4.14Å |
| 751 | A | 89.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 64.5 Ų | 64.5 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 136.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E716 I717 R770 V771 | E716-A751 VanDerWaalsContact O-CA 3.28Å; E716-A751 WeakPolarHBondContact O-CA 3.36Å; I717-A751 HydrophobicContact CG1-CB 3.73Å; A751-R770 WeakPolarHBondContact O-CA 3.13Å; A751-R770 WeakPolarHBondContact O-CB 3.33Å; A751-V771 HydrophobicContact CB-CB 4.44Å; A751-V771 PolarHBondContact N-O 2.92Å; A751-V771 PolarHBondContact O-N 2.83Å; A751-V771 VanDerWaalsContact O-N 3.08Å |
| 752 | K | 88.2 | Confident | 86.2 | Confident | 126 Ų | 126 | 64.2 Ų | 64.2 | 55% | 0.548 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 154.7 | 178.1 | -57.5 | -179.3 | -164 | 148.9 | 0 | 112.2 | F715 E716 | F715-K752 VanDerWaalsContact CA-O 3.3Å; F715-K752 WeakPolarHBondContact CA-O 3.39Å; E716-K752 HydrophobicContact CB-CB 4.32Å; E716-K752 PolarHBondContact N-O 3.32Å; E716-K752 PolarHBondContact O-N 2.9Å; E716-K752 VanDerWaalsContact O-N 3.1Å; E716-K752 IonicContact OE2-NZ 2.83Å; E716-K752 PolarHBondContact OE2-NZ 2.88Å |
| 753 | L | 90.9 | Very high | 86.3 | Confident | 13 Ų | 13 | 63.8 Ų | 63.8 | 7% | 0.068 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 136 | 176.9 | 173.2 | 62.7 | 0 | 0 | 0 | 112.4 | V697 V699 C713 E714 F715 V755 N765 V769 | V697-L753 HydrophobicContact CG1-CD2 4.25Å; V699-L753 HydrophobicContact CG1-CD2 3.53Å; C713-L753 HydrophobicContact CB-CD1 4.07Å; E714-L753 WeakPolarHBondContact O-CA 3.48Å; F715-L753 HydrophobicContact CD1-CD1 4.36Å; F715-L753 HydrophobicContact CE1-CB 4.31Å; F715-L753 HydrophobicContact CE1-CD1 3.81Å; F715-L753 HydrophobicContact CE1-CG 4.49Å; F715-L753 HydrophobicContact CE2-CD1 4.12Å; F715-L753 HydrophobicContact CZ-CD1 3.67Å; L753-V755 HydrophobicContact CD1-CG2 4.29Å; L753-V755 HydrophobicContact CG-CG2 4.43Å; L753-N765 PolarHBondContact O-ND2 2.7Å; L753-V769 WeakPolarHBondContact CB-O 3.38Å; L753-V769 HydrophobicContact CD2-CB 4.46Å; L753-V769 HydrophobicContact CD2-CG1 4.27Å |
| 754 | S | 89.9 | Confident | 86.7 | Confident | 44 Ų | 44 | 55 Ų | 55 | 31% | 0.308 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.2 | 166.4 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | C713 E714 | C713-S754 CarbonylContact C-O 3.49Å; C713-S754 WeakPolarHBondContact CA-O 3.12Å; E714-S754 PolarHBondContact N-O 3.19Å; E714-S754 PolarHBondContact O-N 3.38Å |
| 755 | V | 91.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.006 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 124.2 | 178 | 178.8 | 0 | 0 | 0 | 0 | 109.9 | I679 V699 F711 A712 I733 L753 A762 L763 | I679-V755 HydrophobicContact CD1-CG2 4.02Å; I679-V755 HydrophobicContact CG2-CB 4.14Å; I679-V755 HydrophobicContact CG2-CG1 4.47Å; I679-V755 HydrophobicContact CG2-CG2 4.22Å; V699-V755 HydrophobicContact CG2-CG2 4.18Å; F711-V755 HydrophobicContact CD1-CG1 4.25Å; A712-V755 WeakPolarHBondContact O-CA 3.28Å; I733-V755 HydrophobicContact CD1-CG1 3.75Å; I733-V755 HydrophobicContact CG2-CG1 4.38Å; L753-V755 HydrophobicContact CD1-CG2 4.29Å; L753-V755 HydrophobicContact CG-CG2 4.43Å; V755-A762 WeakPolarHBondContact O-CA 3.41Å; V755-L763 HydrophobicContact CG1-CD1 4.26Å; V755-L763 PolarHBondContact O-N 3.07Å |
| 756 | T | 90.4 | Very high | 87.4 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.135 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 144.4 | -179.4 | 60.9 | 0 | 0 | 0 | 0 | 111.5 | F711 A712 K761 A762 | F711-T756 VanDerWaalsContact CA-O 3.29Å; F711-T756 WeakPolarHBondContact CA-O 3.15Å; A712-T756 PolarHBondContact N-O 3.44Å; A712-T756 PolarHBondContact O-N 3.13Å; T756-K761 CarbonylContact C-O 3.01Å; T756-K761 VanDerWaalsContact CA-O 3.28Å; T756-K761 WeakPolarHBondContact CA-O 3.18Å; T756-K761 WeakPolarHBondContact CB-O 3.4Å; T756-A762 HydrophobicContact CG2-CB 4.37Å |
| 757 | W | 89.4 | Confident | 87.4 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | -7 | 178.6 | 64.7 | -93.8 | 0 | 0 | 0 | 114.7 | F707 Q708 D710 F711 K761 | F707-W757 AromaticContact CD2-CH2 3.8Å; F707-W757 HydrophobicContact CD2-CH2 3.8Å; F707-W757 AromaticContact CD2-CZ3 3.96Å; F707-W757 HydrophobicContact CD2-CZ3 3.96Å; F707-W757 AromaticContact CE2-CH2 3.64Å; F707-W757 HydrophobicContact CE2-CH2 3.64Å; F707-W757 HydrophobicContact CE2-CZ2 4.12Å; F707-W757 HydrophobicContact CE2-CZ3 4.25Å; Q708-W757 HydrophobicContact CB-CB 4.08Å; Q708-W757 HydrophobicContact CB-CD2 3.88Å; Q708-W757 HydrophobicContact CB-CE3 3.87Å; Q708-W757 HydrophobicContact CB-CG 4.01Å; Q708-W757 HydrophobicContact CB-CZ3 4.49Å; Q708-W757 HydrophobicContact CG-CD2 3.73Å; Q708-W757 HydrophobicContact CG-CE3 3.84Å; Q708-W757 HydrophobicContact CG-CG 4.18Å; Q708-W757 HydrophobicContact CG-CH2 4.21Å; Q708-W757 HydrophobicContact CG-CZ2 4.13Å; Q708-W757 HydrophobicContact CG-CZ3 4.08Å; Q708-W757 VanDerWaalsContact NE2-CD1 3.25Å; Q708-W757 VanDerWaalsContact NE2-CE2 3.31Å; D710-W757 CarbonylContact C-O 3.46Å; D710-W757 PolarHBondContact N-O 3.25Å; D710-W757 CarbonylContact O-C 3.48Å; D710-W757 VanDerWaalsContact O-CA 3.24Å; D710-W757 WeakPolarHBondContact O-CA 3.45Å; D710-W757 VanDerWaalsContact O-O 3.12Å; F711-W757 HydrophobicContact CD1-CB 4.1Å; F711-W757 HydrophobicContact CE1-CB 3.59Å; F711-W757 HydrophobicContact CZ-CB 4.06Å; W757-K761 VanDerWaalsContact CD1-O 3.28Å; W757-K761 HydrophobicContact CD2-CB 4.1Å; W757-K761 HydrophobicContact CG-CB 4.45Å; W757-K761 HydrophobicContact CH2-CD 3.43Å; W757-K761 VanDerWaalsContact CH2-CD 3.43Å; W757-K761 HydrophobicContact CZ2-CB 3.94Å; W757-K761 HydrophobicContact CZ2-CD 3.27Å; W757-K761 HydrophobicContact CZ2-CG 4.24Å; W757-K761 HydrophobicContact CZ3-CD 4.08Å; W757-K761 PolarHBondContact N-O 3.2Å |
| 758 | S | 84.7 | Confident | 87.5 | Confident | 39 Ų | 39 | 50 Ų | 50 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 157.7 | 175.6 | -170.5 | 0 | 0 | 0 | 0 | 107.5 | G760 K761 | S758-G760 PolarHBondContact O-N 3.26Å; S758-K761 PolarHBondContact O-N 3.4Å |
| 759 | P | 80.6 | Confident | 87.5 | Confident | 108 Ų | 108 | 46.9 Ų | 46.9 | 70% | 0.701 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.2 | 116.4 | 177.2 | -29.1 | 37 | 0 | 0 | 0 | 112.5 | K761 | P759-K761 VanDerWaalsContact C-N 3.34Å; P759-K761 PolarHBondContact O-N 3.35Å |
| 760 | G | 76.1 | Confident | 87.6 | Confident | 83 Ų | 83 | 50.3 Ų | 50.3 | 86% | 0.856 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | -4.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | S758 | S758-G760 PolarHBondContact O-N 3.26Š|
| 761 | K | 86.1 | Confident | 87.5 | Confident | 56 Ų | 56 | 46.9 Ų | 46.9 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 101.3 | 178.9 | -55.7 | -167.6 | 179.8 | -177.5 | 0 | 111 | E641 T756 W757 S758 P759 | E641-K761 PolarHBondContact O-NZ 3.03Å; T756-K761 CarbonylContact C-O 3.01Å; T756-K761 VanDerWaalsContact CA-O 3.28Å; T756-K761 WeakPolarHBondContact CA-O 3.18Å; T756-K761 WeakPolarHBondContact CB-O 3.4Å; W757-K761 VanDerWaalsContact CD1-O 3.28Å; W757-K761 HydrophobicContact CD2-CB 4.1Å; W757-K761 HydrophobicContact CG-CB 4.45Å; W757-K761 HydrophobicContact CH2-CD 3.43Å; W757-K761 VanDerWaalsContact CH2-CD 3.43Å; W757-K761 HydrophobicContact CZ2-CB 3.94Å; W757-K761 HydrophobicContact CZ2-CD 3.27Å; W757-K761 HydrophobicContact CZ2-CG 4.24Å; W757-K761 HydrophobicContact CZ3-CD 4.08Å; W757-K761 PolarHBondContact N-O 3.2Å; S758-K761 PolarHBondContact O-N 3.4Å; P759-K761 VanDerWaalsContact C-N 3.34Å; P759-K761 PolarHBondContact O-N 3.35Å |
| 762 | A | 87.7 | Confident | 87.6 | Confident | 52 Ų | 52 | 47.4 Ų | 47.4 | 43% | 0.43 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 161.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V755 T756 | V755-A762 WeakPolarHBondContact O-CA 3.41Å; T756-A762 HydrophobicContact CG2-CB 4.37Å |
| 763 | L | 90.5 | Very high | 87.7 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | P | Polyproline II helix | trans | -96.3 | 151.1 | 162.8 | -61.4 | 178.7 | 0 | 0 | 0 | 109.9 | P677 I679 V701 L704 F711 V755 | P677-L763 HydrophobicContact CB-CD2 3.84Å; I679-L763 HydrophobicContact CG2-CB 4.23Å; I679-L763 HydrophobicContact CG2-CD1 3.95Å; V701-L763 HydrophobicContact CG1-CD1 3.63Å; L704-L763 HydrophobicContact CD1-CD1 4.14Å; L704-L763 HydrophobicContact CD1-CD2 3.93Å; F711-L763 HydrophobicContact CE1-CD1 4.18Å; V755-L763 HydrophobicContact CG1-CD1 4.26Å; V755-L763 PolarHBondContact O-N 3.07Å |
| 764 | D | 89.3 | Confident | 87.8 | Confident | 19 Ų | 19 | 41.2 Ų | 41.2 | 10% | 0.102 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 132.5 | -180 | -66.3 | -9.2 | 0 | 0 | 0 | 110.4 | T625 Q627 P677 H678 I679 | T625-D764 VanDerWaalsContact CB-OD1 3.23Å; T625-D764 WeakPolarHBondContact CB-OD1 3.4Å; T625-D764 WeakPolarHBondContact CG2-OD1 3.5Å; Q627-D764 WeakPolarHBondContact CB-OD2 3.34Å; Q627-D764 PolarHBondContact N-OD2 3.31Å; P677-D764 PolarHBondContact O-N 2.86Å; H678-D764 CarbonylContact C-O 3.53Å; H678-D764 WeakPolarHBondContact CA-O 3.42Å; H678-D764 HydrophobicContact CB-CB 3.96Å; H678-D764 WeakPolarHBondContact CB-O 3.5Å; I679-D764 PolarHBondContact N-O 3.22Å |
| 765 | N | 88.8 | Confident | 87.8 | Confident | 53 Ų | 53 | 41.4 Ų | 41.4 | 28% | 0.283 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 85.9 | 178.4 | -175.9 | -4.6 | 0 | 0 | 0 | 110.4 | I679 L753 Q767 D768 V769 | I679-N765 HydrophobicContact CD1-CB 3.93Å; I679-N765 HydrophobicContact CG1-CB 3.9Å; L753-N765 PolarHBondContact O-ND2 2.7Å; N765-Q767 VanDerWaalsContact C-N 3.34Å; N765-Q767 PolarHBondContact O-N 3.1Å; N765-D768 PolarHBondContact OD1-N 3.32Å; N765-V769 PolarHBondContact OD1-N 2.85Å |
| 766 | T | 83.6 | Confident | 87.8 | Confident | 58 Ų | 58 | 42 Ų | 42 | 36% | 0.356 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -12.8 | -168.7 | 58.2 | 0 | 0 | 0 | 0 | 114.6 | H678 I679 | H678-T766 HydrophobicContact CB-CG2 3.81Å; H678-T766 PolarHBondContact CD2-OG1 2.84Å; I679-T766 PolarHBondContact O-OG1 3.46Å |
| 767 | Q | 84.5 | Confident | 87.7 | Confident | 92 Ų | 92 | 46.7 Ų | 46.7 | 43% | 0.43 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | 9.8 | -174.2 | -67.5 | -170.6 | -12.5 | 0 | 0 | 114.8 | I680 N765 V769 | I680-Q767 HydrophobicContact CB-CG 4.49Å; I680-Q767 HydrophobicContact CG2-CG 4.22Å; N765-Q767 VanDerWaalsContact C-N 3.34Å; N765-Q767 PolarHBondContact O-N 3.1Å; Q767-V769 VanDerWaalsContact C-N 3.3Å; Q767-V769 HydrophobicContact CB-CG2 4.12Å; Q767-V769 PolarHBondContact O-N 3.03Å |
| 768 | D | 87.9 | Confident | 87.8 | Confident | 83 Ų | 83 | 52.7 Ų | 52.7 | 44% | 0.444 | 29% | 0.291 | S | S | . | . | trans | 48.1 | 48.8 | -176.7 | -170.9 | 43.4 | 0 | 0 | 0 | 113 | N765 R770 | N765-D768 PolarHBondContact OD1-N 3.32Å; D768-R770 PolarHBondContact O-N 3.15Å; D768-R770 IonicContact OD2-CZ 3.77Å; D768-R770 IonicContact OD2-NE 2.66Å; D768-R770 IonicContact OD2-NH1 2.83Å; D768-R770 PolarHBondContact OD2-NH1 2.74Å | ||
| 769 | V | 88.5 | Confident | 88 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.024 | 29% | 0.289 | C | S | . | . | trans | -64.7 | 123.3 | -176.1 | -171.5 | 0 | 0 | 0 | 0 | 110.4 | A681 V699 L753 N765 Q767 | A681-V769 HydrophobicContact CB-CG2 4Å; V699-V769 HydrophobicContact CG1-CG1 3.98Å; L753-V769 WeakPolarHBondContact CB-O 3.38Å; L753-V769 HydrophobicContact CD2-CB 4.46Å; L753-V769 HydrophobicContact CD2-CG1 4.27Å; N765-V769 PolarHBondContact OD1-N 2.85Å; Q767-V769 VanDerWaalsContact C-N 3.3Å; Q767-V769 HydrophobicContact CB-CG2 4.12Å; Q767-V769 PolarHBondContact O-N 3.03Å | ||
| 770 | R | 90.5 | Very high | 88.2 | Confident | 100 Ų | 100 | 48.4 Ų | 48.4 | 38% | 0.377 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 159.3 | -168.3 | 66.6 | -164.1 | -168 | -164.9 | 3.6 | 114.4 | P685 V686 I687 T750 A751 D768 | P685-R770 PolarHBondContact O-N 3.41Å; V686-R770 WeakPolarHBondContact CA-O 3.39Å; V686-R770 HydrophobicContact CG2-CG 4.24Å; I687-R770 PolarHBondContact N-O 3.37Å; T750-R770 HydrophobicContact CG2-CB 4.22Å; T750-R770 HydrophobicContact CG2-CG 4.19Å; A751-R770 WeakPolarHBondContact O-CA 3.13Å; A751-R770 WeakPolarHBondContact O-CB 3.33Å; D768-R770 PolarHBondContact O-N 3.15Å; D768-R770 IonicContact OD2-CZ 3.77Å; D768-R770 IonicContact OD2-NE 2.66Å; D768-R770 IonicContact OD2-NH1 2.83Å; D768-R770 PolarHBondContact OD2-NH1 2.74Å |
| 771 | V | 90 | Very high | 88.7 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.018 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 138.6 | -177.9 | -172.5 | 0 | 0 | 0 | 0 | 110.5 | I687 V689 V697 F715 F740 T750 A751 | I687-V771 HydrophobicContact CB-CG2 4.4Å; I687-V771 CarbonylContact O-C 3.57Å; I687-V771 WeakPolarHBondContact O-CA 3.38Å; V689-V771 HydrophobicContact CG2-CG1 3.77Å; V697-V771 HydrophobicContact CG2-CG2 4.03Å; F715-V771 HydrophobicContact CE1-CG2 4.22Å; F740-V771 HydrophobicContact CD1-CG1 3.99Å; F740-V771 HydrophobicContact CE1-CB 4.15Å; F740-V771 HydrophobicContact CE1-CG1 3.82Å; F740-V771 HydrophobicContact CE1-CG2 4.27Å; F740-V771 HydrophobicContact CZ-CG1 4.21Å; F740-V771 HydrophobicContact CZ-CG2 4.36Å; T750-V771 CarbonylContact C-O 3.52Å; T750-V771 VanDerWaalsContact CA-O 3.29Å; T750-V771 WeakPolarHBondContact CA-O 3.46Å; A751-V771 HydrophobicContact CB-CB 4.44Å; A751-V771 PolarHBondContact N-O 2.92Å; A751-V771 PolarHBondContact O-N 2.83Å; A751-V771 VanDerWaalsContact O-N 3.08Å |
| 772 | V | 91.4 | Very high | 88.7 | Confident | 13 Ų | 13 | 48.2 Ų | 48.2 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.4 | -179.6 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | V686 I687 H688 V689 N748 V749 T750 | V686-V772 HydrophobicContact CG1-CB 4.23Å; V686-V772 HydrophobicContact CG1-CG2 3.6Å; I687-V772 PolarHBondContact O-N 3.06Å; H688-V772 CarbonylContact C-O 3.55Å; H688-V772 WeakPolarHBondContact CA-O 3.35Å; V689-V772 PolarHBondContact N-O 3.22Å; N748-V772 HydrophobicContact CB-CG1 4.23Å; V749-V772 CarbonylContact O-C 3.54Å; V749-V772 WeakPolarHBondContact O-CA 3.33Å; T750-V772 HydrophobicContact CG2-CG2 4.14Å |
| 773 | I | 90.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 132.3 | -172.1 | -38.7 | 171.4 | 0 | 0 | 0 | 109.6 | V689 F740 Y742 N748 V749 | V689-I773 CarbonylContact O-C 3.56Å; V689-I773 WeakPolarHBondContact O-CA 3.26Å; F740-I773 HydrophobicContact CB-CD1 3.95Å; F740-I773 HydrophobicContact CB-CG1 4.07Å; F740-I773 HydrophobicContact CB-CG2 4.14Å; F740-I773 HydrophobicContact CD1-CD1 4.04Å; F740-I773 HydrophobicContact CD1-CG1 4.28Å; F740-I773 WeakPolarHBondContact O-CG2 3.43Å; Y742-I773 HydrophobicContact CD1-CB 3.73Å; Y742-I773 HydrophobicContact CD1-CD1 4.27Å; Y742-I773 HydrophobicContact CD1-CG2 3.68Å; Y742-I773 HydrophobicContact CE1-CB 3.76Å; Y742-I773 HydrophobicContact CE1-CG2 3.72Å; Y742-I773 WeakPolarHBondContact CE1-O 3.43Å; N748-I773 CarbonylContact C-O 3.53Å; N748-I773 WeakPolarHBondContact CA-O 3.41Å; N748-I773 WeakPolarHBondContact CB-O 3.19Å; V749-I773 PolarHBondContact N-O 3.42Å; V749-I773 PolarHBondContact O-N 3.5Å |
| 774 | Y | 91.9 | Very high | 88.5 | Confident | 9 Ų | 9 | 45.5 Ų | 45.5 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 164.1 | -170.6 | 70.2 | -92.7 | 0 | 0 | 0 | 117.3 | H688 V689 P690 S691 P747 F793 | H688-Y774 HydrophobicContact CB-CD1 4.36Å; H688-Y774 HydrophobicContact CB-CE1 4.1Å; V689-Y774 WeakPolarHBondContact O-CD1 3.33Å; V689-Y774 PolarHBondContact O-N 2.84Å; P690-Y774 HydrophobicContact CB-CE1 4.28Å; P690-Y774 HydrophobicContact CB-CE2 4.07Å; S691-Y774 WeakPolarHBondContact CB-O 3.11Å; S691-Y774 PolarHBondContact N-O 3.3Å; P747-Y774 WeakPolarHBondContact O-CA 2.94Å; Y774-F793 HydrophobicContact CD1-CD1 4.01Å; Y774-F793 HydrophobicContact CD1-CE1 4.44Å; Y774-F793 HydrophobicContact CD2-CB 4.34Å; Y774-F793 AromaticContact CD2-CD1 3.65Å; Y774-F793 HydrophobicContact CD2-CD1 3.65Å; Y774-F793 HydrophobicContact CD2-CE1 4.45Å; Y774-F793 HydrophobicContact CD2-CG 4.43Å; Y774-F793 HydrophobicContact CE1-CD1 4.33Å; Y774-F793 HydrophobicContact CE2-CB 4.03Å; Y774-F793 HydrophobicContact CE2-CD1 4.02Å; Y774-F793 VanDerWaalsContact CE2-O 3.26Å; Y774-F793 WeakPolarHBondContact CE2-O 3.36Å; Y774-F793 AromaticContact CG-CD1 3.65Å; Y774-F793 HydrophobicContact CG-CD1 3.65Å; Y774-F793 HydrophobicContact CG-CE1 4.09Å; Y774-F793 PolarHBondContact OH-O 2.94Å |
| 775 | K | 91 | Very high | 88.4 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | trans | -135.1 | 110.6 | -179.2 | -66.7 | 169.1 | -174.4 | 164.8 | 0 | 113.4 | Y742 D744 P747 E777 R778 | Y742-K775 HydrophobicContact CE2-CD 4.37Å; Y742-K775 PolarHBondContact O-NZ 2.97Å; Y742-K775 VanDerWaalsContact O-NZ 3.09Å; Y742-K775 WeakPolarHBondContact OH-CD 3.34Å; D744-K775 PolarHBondContact O-NZ 3.08Å; P747-K775 PolarHBondContact O-N 3.02Å; K775-E777 PolarHBondContact O-N 2.04Å; K775-R778 PolarHBondContact O-N 2.84Å | ||
| 776 | C | 90.8 | Very high | 88.4 | Confident | 12 Ų | 12 | 45.3 Ų | 45.3 | 8% | 0.081 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -58.8 | -43.1 | -174.3 | -75.2 | 0 | 0 | 0 | 0 | 116.1 | R778 L779 C795 C804 I806 | C776-R778 PolarHBondContact O-N 2.96Å; C776-R778 VanDerWaalsContact O-N 3.12Å; C776-L779 WeakPolarHBondContact O-CB 3.11Å; C776-L779 PolarHBondContact O-N 3.31Å; C776-C795 VanDerWaalsContact CA-SG 3.53Å; C776-C795 HydrophobicContact CB-CB 3.85Å; C776-C795 WeakPolarHBondContact CB-SG 3.4Å; C776-C795 VanDerWaalsContact SG-CA 3.6Å; C776-C795 WeakPolarHBondContact SG-CB 3.42Å; C776-C795 CovalentContact SG-SG 2.04Å; C776-C795 PolarHBondContact SG-SG 2.9Å; C776-C804 CarbonylContact C-O 3.58Å; C776-I806 VanDerWaalsContact SG-CG2 3.53Å |
| 777 | E | 88.7 | Confident | 88.7 | Confident | 122 Ų | 122 | 42.7 Ų | 42.7 | 57% | 0.57 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -62.7 | -19.2 | -176.9 | 60.8 | 177.6 | -144.5 | 0 | 0 | 113.6 | K775 C804 | K775-E777 PolarHBondContact O-N 2.04Å; E777-C804 WeakPolarHBondContact CA-O 3.39Å; E777-C804 PolarHBondContact N-O 3.41Å |
| 778 | R | 90 | Very high | 88.8 | Confident | 144 Ų | 144 | 41.9 Ų | 41.9 | 54% | 0.543 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -95.9 | -5.6 | 175.9 | -59.1 | -51 | -176.9 | 122.1 | -5.3 | 113.2 | K775 C776 | K775-R778 PolarHBondContact O-N 2.84Å; C776-R778 PolarHBondContact O-N 2.96Å; C776-R778 VanDerWaalsContact O-N 3.12Å |
| 779 | L | 88.6 | Confident | 88.8 | Confident | 47 Ų | 47 | 39.1 Ų | 39.1 | 25% | 0.246 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -28.2 | 177.9 | -67.2 | 173.5 | 0 | 0 | 0 | 112.9 | P747 C776 L789 F793 | P747-L779 HydrophobicContact CB-CD2 3.77Å; C776-L779 WeakPolarHBondContact O-CB 3.11Å; C776-L779 PolarHBondContact O-N 3.31Å; L779-L789 HydrophobicContact CB-CD1 3.77Å; L779-L789 HydrophobicContact CB-CD2 3.85Å; L779-F793 HydrophobicContact CD1-CB 4.26Å; L779-F793 HydrophobicContact CD1-CD1 3.98Å; L779-F793 HydrophobicContact CD1-CD2 3.96Å; L779-F793 HydrophobicContact CD1-CE1 4.24Å; L779-F793 HydrophobicContact CD1-CE2 4.22Å; L779-F793 HydrophobicContact CD1-CG 3.83Å; L779-F793 HydrophobicContact CD1-CZ 4.35Å |
| 780 | A | 85.9 | Confident | 88.8 | Confident | 9 Ų | 9 | 41.5 Ų | 41.5 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | trans | -153.6 | 140.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | L785 C786 L789 C804 | A780-L785 HydrophobicContact CB-CB 3.85Å; A780-C786 VanDerWaalsContact CB-CA 3.43Å; A780-C786 HydrophobicContact CB-CB 3.87Å; A780-L789 HydrophobicContact CB-CD1 3.96Å; A780-L789 HydrophobicContact CB-CD2 4.39Å; A780-L789 HydrophobicContact CB-CG 4.2Å; A780-C804 HydrophobicContact CB-CB 4.2Å; A780-C804 WeakPolarHBondContact O-CB 3.04Å | ||
| 781 | S | 86.1 | Confident | 88.4 | Confident | 98 Ų | 98 | 41.9 Ų | 41.9 | 69% | 0.685 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -104.1 | -13 | -172.9 | 58.4 | 0 | 0 | 0 | 0 | 115.9 | ||
| 782 | N | 86.6 | Confident | 88.2 | Confident | 37 Ų | 37 | 46.1 Ų | 46.1 | 20% | 0.198 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -140.9 | 168.7 | 177.6 | 66 | 59.5 | 0 | 0 | 0 | 110.9 | G784 L785 C786 | N782-G784 PolarHBondContact O-N 2.93Å; N782-G784 PolarHBondContact OD1-N 3.24Å; N782-G784 VanDerWaalsContact OD1-N 3.1Å; N782-L785 WeakPolarHBondContact ND2-CD1 3.2Å; N782-L785 PolarHBondContact O-N 2.77Å; N782-L785 PolarHBondContact OD1-N 3.12Å; N782-C786 VanDerWaalsContact O-CB 3.26Å; N782-C786 WeakPolarHBondContact O-CB 3.25Å; N782-C786 PolarHBondContact O-N 3.45Å |
| 783 | C | 88.5 | Confident | 88 | Confident | 4 Ų | 4 | 46.3 Ų | 46.3 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54 | -50.8 | -178.6 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | L785 C786 L787 W797 C824 | C783-L785 PolarHBondContact O-N 2.85Å; C783-C786 PolarHBondContact O-N 2.83Å; C783-C786 VanDerWaalsContact O-N 3.14Å; C783-L787 WeakPolarHBondContact O-CG 3.49Å; C783-L787 PolarHBondContact O-N 2.65Å; C783-W797 VanDerWaalsContact CA-CD2 3.48Å; C783-W797 HydrophobicContact CB-CB 4.43Å; C783-W797 HydrophobicContact CB-CD2 3.8Å; C783-W797 HydrophobicContact CB-CE3 4.47Å; C783-W797 HydrophobicContact CB-CG 3.76Å; C783-W797 HydrophobicContact CB-CZ2 4.47Å; C783-C824 HydrophobicContact CB-CB 3.72Å; C783-C824 WeakPolarHBondContact CB-SG 3.42Å; C783-C824 VanDerWaalsContact SG-CA 3.52Å; C783-C824 WeakPolarHBondContact SG-CB 3.39Å; C783-C824 CovalentContact SG-SG 2.04Å; C783-C824 PolarHBondContact SG-SG 2.83Å |
| 784 | G | 84.8 | Confident | 87.8 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.2 | -49.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N782 C786 D788 C824 S880 | N782-G784 PolarHBondContact O-N 2.93Å; N782-G784 PolarHBondContact OD1-N 3.24Å; N782-G784 VanDerWaalsContact OD1-N 3.1Å; G784-C786 VanDerWaalsContact C-N 3.34Å; G784-C786 PolarHBondContact O-N 2.78Å; G784-D788 PolarHBondContact O-N 2.84Å; G784-C824 PolarHBondContact N-SG 3.38Å; G784-S880 WeakPolarHBondContact CA-OG 3.37Å |
| 785 | L | 87.2 | Confident | 87.7 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 36% | 0.356 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 176.6 | -66.3 | 177.3 | 0 | 0 | 0 | 112.4 | A780 N782 C783 D788 L789 | A780-L785 HydrophobicContact CB-CB 3.85Å; N782-L785 WeakPolarHBondContact ND2-CD1 3.2Å; N782-L785 PolarHBondContact O-N 2.77Å; N782-L785 PolarHBondContact OD1-N 3.12Å; C783-L785 PolarHBondContact O-N 2.85Å; L785-D788 PolarHBondContact O-N 3.18Å; L785-L789 PolarHBondContact O-N 3.4Å |
| 786 | C | 90.1 | Very high | 87.6 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.8 | -40.3 | -178.5 | -177.4 | 0 | 0 | 0 | 0 | 112.3 | A780 N782 C783 G784 D788 L789 G796 W797 C804 | A780-C786 VanDerWaalsContact CB-CA 3.43Å; A780-C786 HydrophobicContact CB-CB 3.87Å; N782-C786 VanDerWaalsContact O-CB 3.26Å; N782-C786 WeakPolarHBondContact O-CB 3.25Å; N782-C786 PolarHBondContact O-N 3.45Å; C783-C786 PolarHBondContact O-N 2.83Å; C783-C786 VanDerWaalsContact O-N 3.14Å; G784-C786 VanDerWaalsContact C-N 3.34Å; G784-C786 PolarHBondContact O-N 2.78Å; C786-D788 VanDerWaalsContact C-N 3.26Å; C786-D788 PolarHBondContact O-N 3.32Å; C786-L789 PolarHBondContact O-N 2.85Å; C786-G796 VanDerWaalsContact SG-CA 3.57Å; C786-G796 PolarHBondContact SG-O 2.95Å; C786-G796 VanDerWaalsContact SG-O 3.37Å; C786-W797 HydrophobicContact CB-CB 4.31Å; C786-W797 HydrophobicContact CB-CE3 3.72Å; C786-W797 HydrophobicContact CB-CZ3 4.47Å; C786-W797 PolarHBondContact SG-N 3.23Å; C786-C804 VanDerWaalsContact CA-SG 3.58Å; C786-C804 HydrophobicContact CB-CB 3.66Å; C786-C804 WeakPolarHBondContact CB-SG 3.47Å; C786-C804 WeakPolarHBondContact SG-CA 3.32Å; C786-C804 WeakPolarHBondContact SG-CB 3.3Å; C786-C804 CovalentContact SG-SG 2.03Å; C786-C804 PolarHBondContact SG-SG 3.33Å |
| 787 | L | 88.4 | Confident | 87.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -73.1 | -19.4 | 176.1 | -60.1 | -169.6 | 0 | 0 | 0 | 112.4 | C783 W797 L818 K820 D822 | C783-L787 WeakPolarHBondContact O-CG 3.49Å; C783-L787 PolarHBondContact O-N 2.65Å; L787-W797 HydrophobicContact CD2-CB 4.09Å; L787-L818 HydrophobicContact CD1-CB 4.14Å; L787-L818 HydrophobicContact CD1-CD1 4.45Å; L787-L818 HydrophobicContact CD2-CB 3.99Å; L787-L818 VanDerWaalsContact CD2-O 3.25Å; L787-L818 WeakPolarHBondContact CD2-O 3.11Å; L787-K820 WeakPolarHBondContact O-CD 3.41Å; L787-K820 WeakPolarHBondContact O-CE 3.15Å; L787-K820 WeakPolarHBondContact O-CG 3.31Å; L787-D822 WeakPolarHBondContact CD1-O 3.45Å |
| 788 | D | 87.4 | Confident | 87.6 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -79.8 | -15.8 | 175.2 | -162.5 | 31.4 | 0 | 0 | 0 | 113.8 | G784 L785 C786 K820 T879 | G784-D788 PolarHBondContact O-N 2.84Å; L785-D788 PolarHBondContact O-N 3.18Å; C786-D788 VanDerWaalsContact C-N 3.26Å; C786-D788 PolarHBondContact O-N 3.32Å; D788-K820 VanDerWaalsContact C-NZ 3.3Å; D788-K820 PolarHBondContact O-NZ 2.93Å; D788-T879 HydrophobicContact CB-CG2 4.37Å |
| 789 | L | 88.5 | Confident | 87.3 | Confident | 25 Ų | 25 | 42.8 Ų | 42.8 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -54.8 | 150.6 | -175.8 | -71 | 178.3 | 0 | 0 | 0 | 114.4 | L779 A780 L785 C786 C795 K820 | L779-L789 HydrophobicContact CB-CD1 3.77Å; L779-L789 HydrophobicContact CB-CD2 3.85Å; A780-L789 HydrophobicContact CB-CD1 3.96Å; A780-L789 HydrophobicContact CB-CD2 4.39Å; A780-L789 HydrophobicContact CB-CG 4.2Å; L785-L789 PolarHBondContact O-N 3.4Å; C786-L789 PolarHBondContact O-N 2.85Å; L789-C795 HydrophobicContact CD1-CB 3.73Å; L789-K820 PolarHBondContact O-NZ 3.43Å |
| 790 | P | 87 | Confident | 86.9 | Confident | 54 Ų | 54 | 44.7 Ų | 44.7 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | trans | -60 | 141 | 175.1 | -26.1 | 35.4 | 0 | 0 | 0 | 113.2 | H792 F793 | P790-H792 WeakPolarHBondContact CB-CE1 3.15Å; P790-H792 PolarHBondContact O-N 3.14Å; P790-H792 VanDerWaalsContact O-N 3.13Å; P790-F793 HydrophobicContact CB-CD2 4.03Å; P790-F793 HydrophobicContact CB-CE2 4.15Å; P790-F793 HydrophobicContact CG-CD2 4.21Å; P790-F793 HydrophobicContact CG-CE2 4.02Å; P790-F793 PolarHBondContact O-N 2.77Å | ||
| 791 | P | 83.4 | Confident | 86.7 | Confident | 108 Ų | 108 | 49.8 Ų | 49.8 | 70% | 0.701 | 27% | 0.267 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.5 | -172.1 | 26 | -35.1 | 0 | 0 | 0 | 114.4 | F793 E794 | P791-F793 PolarHBondContact O-N 3.31Å; P791-E794 PolarHBondContact O-N 3.29Å |
| 792 | H | 84.6 | Confident | 86.7 | Confident | 92 Ų | 92 | 52.5 Ų | 52.5 | 43% | 0.426 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -73.1 | -5.3 | -179.4 | 58.4 | -107.1 | 0 | 0 | 0 | 114.6 | H688 P790 | H688-H792 AromaticContact CE1-CD2 3.99Å; P790-H792 WeakPolarHBondContact CB-CE1 3.15Å; P790-H792 PolarHBondContact O-N 3.14Å; P790-H792 VanDerWaalsContact O-N 3.13Å |
| 793 | F | 87.3 | Confident | 86.8 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -97 | -9.4 | 171.9 | -62 | -63.2 | 0 | 0 | 0 | 113.8 | Y774 L779 P790 P791 C795 | Y774-F793 HydrophobicContact CD1-CD1 4.01Å; Y774-F793 HydrophobicContact CD1-CE1 4.44Å; Y774-F793 HydrophobicContact CD2-CB 4.34Å; Y774-F793 AromaticContact CD2-CD1 3.65Å; Y774-F793 HydrophobicContact CD2-CD1 3.65Å; Y774-F793 HydrophobicContact CD2-CE1 4.45Å; Y774-F793 HydrophobicContact CD2-CG 4.43Å; Y774-F793 HydrophobicContact CE1-CD1 4.33Å; Y774-F793 HydrophobicContact CE2-CB 4.03Å; Y774-F793 HydrophobicContact CE2-CD1 4.02Å; Y774-F793 VanDerWaalsContact CE2-O 3.26Å; Y774-F793 WeakPolarHBondContact CE2-O 3.36Å; Y774-F793 AromaticContact CG-CD1 3.65Å; Y774-F793 HydrophobicContact CG-CD1 3.65Å; Y774-F793 HydrophobicContact CG-CE1 4.09Å; Y774-F793 PolarHBondContact OH-O 2.94Å; L779-F793 HydrophobicContact CD1-CB 4.26Å; L779-F793 HydrophobicContact CD1-CD1 3.98Å; L779-F793 HydrophobicContact CD1-CD2 3.96Å; L779-F793 HydrophobicContact CD1-CE1 4.24Å; L779-F793 HydrophobicContact CD1-CE2 4.22Å; L779-F793 HydrophobicContact CD1-CG 3.83Å; L779-F793 HydrophobicContact CD1-CZ 4.35Å; P790-F793 HydrophobicContact CB-CD2 4.03Å; P790-F793 HydrophobicContact CB-CE2 4.15Å; P790-F793 HydrophobicContact CG-CD2 4.21Å; P790-F793 HydrophobicContact CG-CE2 4.02Å; P790-F793 PolarHBondContact O-N 2.77Å; P791-F793 PolarHBondContact O-N 3.31Å; F793-C795 PolarHBondContact O-N 3.23Å; F793-C795 PolarHBondContact O-SG 3.25Å; F793-C795 VanDerWaalsContact O-SG 3.36Å |
| 794 | E | 86.5 | Confident | 86.9 | Confident | 142 Ų | 142 | 52.5 Ų | 52.5 | 66% | 0.664 | 27% | 0.271 | S | S | * | . | trans | 53.4 | 18.5 | 179.4 | -55 | -172.4 | 173 | 0 | 0 | 115.9 | P791 | P791-E794 PolarHBondContact O-N 3.29Š| ||
| 795 | C | 90.2 | Very high | 87.1 | Confident | 19 Ų | 19 | 53.7 Ų | 53.7 | 13% | 0.128 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 153.3 | 177.5 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | C776 L789 F793 | C776-C795 VanDerWaalsContact CA-SG 3.53Å; C776-C795 HydrophobicContact CB-CB 3.85Å; C776-C795 WeakPolarHBondContact CB-SG 3.4Å; C776-C795 VanDerWaalsContact SG-CA 3.6Å; C776-C795 WeakPolarHBondContact SG-CB 3.42Å; C776-C795 CovalentContact SG-SG 2.04Å; C776-C795 PolarHBondContact SG-SG 2.9Å; L789-C795 HydrophobicContact CD1-CB 3.73Å; F793-C795 PolarHBondContact O-N 3.23Å; F793-C795 PolarHBondContact O-SG 3.25Å; F793-C795 VanDerWaalsContact O-SG 3.36Å |
| 796 | G | 88.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.2 | 170 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | C786 T805 W817 | C786-G796 VanDerWaalsContact SG-CA 3.57Å; C786-G796 PolarHBondContact SG-O 2.95Å; C786-G796 VanDerWaalsContact SG-O 3.37Å; G796-T805 PolarHBondContact N-O 2.94Å; G796-T805 PolarHBondContact O-N 3.38Å; G796-W817 PolarHBondContact O-NE1 2.66Å |
| 797 | W | 90.2 | Very high | 86.9 | Confident | 27 Ų | 27 | 54.3 Ų | 54.3 | 10% | 0.102 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.6 | -166.4 | -173.5 | -101.2 | 0 | 0 | 0 | 112.5 | C783 C786 L787 Q802 C804 W817 L818 | C783-W797 VanDerWaalsContact CA-CD2 3.48Å; C783-W797 HydrophobicContact CB-CB 4.43Å; C783-W797 HydrophobicContact CB-CD2 3.8Å; C783-W797 HydrophobicContact CB-CE3 4.47Å; C783-W797 HydrophobicContact CB-CG 3.76Å; C783-W797 HydrophobicContact CB-CZ2 4.47Å; C786-W797 HydrophobicContact CB-CB 4.31Å; C786-W797 HydrophobicContact CB-CE3 3.72Å; C786-W797 HydrophobicContact CB-CZ3 4.47Å; C786-W797 PolarHBondContact SG-N 3.23Å; L787-W797 HydrophobicContact CD2-CB 4.09Å; W797-Q802 WeakPolarHBondContact CH2-O 3.43Å; W797-Q802 HydrophobicContact CZ2-CB 4.26Å; W797-Q802 WeakPolarHBondContact CZ2-O 3.44Å; W797-C804 HydrophobicContact CE3-CB 4.28Å; W797-C804 HydrophobicContact CZ3-CB 4.47Å; W797-W817 WeakPolarHBondContact O-CA 3.26Å; W797-L818 HydrophobicContact CB-CB 4.24Å; W797-L818 PolarHBondContact N-O 3.22Å; W797-L818 PolarHBondContact O-N 2.95Å |
| 798 | C | 89.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 99.5 | -175.5 | -170 | 0 | 0 | 0 | 0 | 109.4 | N800 K801 Q802 S803 T805 C810 | C798-N800 VanDerWaalsContact C-N 3.3Å; C798-N800 PolarHBondContact O-N 3.08Å; C798-N800 PolarHBondContact SG-OD1 3.38Å; C798-K801 HydrophobicContact CB-CB 4.24Å; C798-K801 PolarHBondContact O-N 3.46Å; C798-K801 VanDerWaalsContact O-N 3.13Å; C798-Q802 PolarHBondContact O-N 3.26Å; C798-S803 WeakPolarHBondContact CB-O 3.44Å; C798-S803 PolarHBondContact N-O 2.94Å; C798-T805 HydrophobicContact CB-CG2 3.62Å; C798-C810 VanDerWaalsContact CA-SG 3.59Å; C798-C810 HydrophobicContact CB-CB 3.99Å; C798-C810 WeakPolarHBondContact CB-SG 3.49Å; C798-C810 VanDerWaalsContact SG-CA 3.52Å; C798-C810 WeakPolarHBondContact SG-CB 3.38Å; C798-C810 CovalentContact SG-SG 2.04Å; C798-C810 PolarHBondContact SG-SG 2.99Å |
| 799 | M | 83.5 | Confident | 86.2 | Confident | 72 Ų | 72 | 56.3 Ų | 56.3 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -38.9 | -169.4 | -72.8 | -75.2 | -133.3 | 0 | 0 | 114.3 | R816 L818 P825 | M799-R816 WeakPolarHBondContact CB-O 3.27Å; M799-R816 WeakPolarHBondContact CG-O 3.31Å; M799-L818 HydrophobicContact CE-CD1 3.78Å; M799-L818 HydrophobicContact CE-CD2 4.05Å; M799-L818 HydrophobicContact CE-CG 4.12Å; M799-L818 HydrophobicContact CG-CD1 4.48Å; M799-L818 HydrophobicContact CG-CG 4.23Å; M799-L818 HydrophobicContact SD-CD1 3.95Å; M799-L818 HydrophobicContact SD-CG 4.33Å; M799-P825 HydrophobicContact CE-CG 3.88Å |
| 800 | N | 80.7 | Confident | 85.8 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 47% | 0.465 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -41.4 | 177.2 | 54.3 | -21.8 | 0 | 0 | 0 | 113 | C798 Q802 | C798-N800 VanDerWaalsContact C-N 3.3Å; C798-N800 PolarHBondContact O-N 3.08Å; C798-N800 PolarHBondContact SG-OD1 3.38Å; N800-Q802 VanDerWaalsContact C-N 3.32Å |
| 801 | K | 82.5 | Confident | 84.8 | Confident | 115 Ų | 115 | 62.5 Ų | 62.5 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -9.4 | 177.5 | -69.6 | -172.5 | 173.5 | 179.1 | 0 | 113.5 | C798 S803 A809 | C798-K801 HydrophobicContact CB-CB 4.24Å; C798-K801 PolarHBondContact O-N 3.46Å; C798-K801 VanDerWaalsContact O-N 3.13Å; K801-S803 WeakPolarHBondContact O-CB 3.38Å; K801-S803 PolarHBondContact O-N 3.45Å; K801-A809 PolarHBondContact NZ-O 3.19Å |
| 802 | Q | 85 | Confident | 83.7 | Confident | 155 Ų | 155 | 65.1 Ų | 65.1 | 72% | 0.724 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.4 | 42.5 | -170.3 | -60.1 | -171.4 | -8.8 | 0 | 0 | 112.2 | W797 C798 N800 | W797-Q802 WeakPolarHBondContact CH2-O 3.43Å; W797-Q802 HydrophobicContact CZ2-CB 4.26Å; W797-Q802 WeakPolarHBondContact CZ2-O 3.44Å; C798-Q802 PolarHBondContact O-N 3.26Å; N800-Q802 VanDerWaalsContact C-N 3.32Å |
| 803 | S | 88.9 | Confident | 82.3 | Confident | 41 Ų | 41 | 67.4 Ų | 67.4 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 156.5 | -170.3 | -178 | 0 | 0 | 0 | 0 | 112.3 | C798 K801 | C798-S803 WeakPolarHBondContact CB-O 3.44Å; C798-S803 PolarHBondContact N-O 2.94Å; K801-S803 WeakPolarHBondContact O-CB 3.38Å; K801-S803 PolarHBondContact O-N 3.45Å |
| 804 | C | 90.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 118 | 178.8 | -162.3 | 0 | 0 | 0 | 0 | 111.1 | C776 E777 A780 C786 W797 | C776-C804 CarbonylContact C-O 3.58Å; E777-C804 WeakPolarHBondContact CA-O 3.39Å; E777-C804 PolarHBondContact N-O 3.41Å; A780-C804 HydrophobicContact CB-CB 4.2Å; A780-C804 WeakPolarHBondContact O-CB 3.04Å; C786-C804 VanDerWaalsContact CA-SG 3.58Å; C786-C804 HydrophobicContact CB-CB 3.66Å; C786-C804 WeakPolarHBondContact CB-SG 3.47Å; C786-C804 WeakPolarHBondContact SG-CA 3.32Å; C786-C804 WeakPolarHBondContact SG-CB 3.3Å; C786-C804 CovalentContact SG-SG 2.03Å; C786-C804 PolarHBondContact SG-SG 3.33Å; W797-C804 HydrophobicContact CE3-CB 4.28Å; W797-C804 HydrophobicContact CZ3-CB 4.47Å |
| 805 | T | 89.8 | Confident | 79.3 | Confident | 25 Ų | 25 | 72.7 Ų | 72.7 | 15% | 0.153 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 160.4 | -173.9 | -167.9 | 0 | 0 | 0 | 0 | 112.2 | G796 C798 A809 C810 W817 | G796-T805 PolarHBondContact N-O 2.94Å; G796-T805 PolarHBondContact O-N 3.38Å; C798-T805 HydrophobicContact CB-CG2 3.62Å; T805-A809 WeakPolarHBondContact OG1-CB 3.35Å; T805-C810 HydrophobicContact CG2-CB 4.06Å; T805-W817 PolarHBondContact O-NE1 3.47Å |
| 806 | I | 88 | Confident | 78.6 | Confident | 21 Ų | 21 | 80.9 Ų | 80.9 | 11% | 0.108 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 149.1 | 170.8 | 58.9 | 179.3 | 0 | 0 | 0 | 110.6 | F693 C776 S808 A809 | F693-I806 HydrophobicContact CE2-CD1 3.89Å; F693-I806 HydrophobicContact CZ-CD1 3.63Å; C776-I806 VanDerWaalsContact SG-CG2 3.53Å; I806-S808 VanDerWaalsContact C-N 3.29Å; I806-S808 VanDerWaalsContact CD1-OG 3.32Å; I806-S808 WeakPolarHBondContact CD1-OG 3.23Å; I806-S808 WeakPolarHBondContact CG1-OG 2.87Å; I806-S808 PolarHBondContact O-N 3.13Å; I806-A809 HydrophobicContact CG1-CB 3.91Å; I806-A809 PolarHBondContact O-N 3.28Å |
| 807 | N | 84 | Confident | 78.4 | Confident | 61 Ų | 61 | 82.7 Ų | 82.7 | 33% | 0.326 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -52.9 | -43 | -176.1 | -175.3 | -16 | 0 | 0 | 0 | 113 | A809 C810 W817 | N807-A809 VanDerWaalsContact C-N 3.25Å; N807-A809 PolarHBondContact O-N 2.91Å; N807-C810 PolarHBondContact O-N 3.05Å; N807-C810 VanDerWaalsContact O-N 3.08Å; N807-W817 HydrophobicContact CB-CD2 4.29Å; N807-W817 HydrophobicContact CB-CH2 4.38Å; N807-W817 HydrophobicContact CB-CZ2 4.02Å |
| 808 | S | 81.3 | Confident | 78.3 | Confident | 79 Ų | 79 | 81.7 Ų | 81.7 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -58.8 | -32.6 | 178.9 | 50.7 | 0 | 0 | 0 | 0 | 113.7 | I806 | I806-S808 VanDerWaalsContact C-N 3.29Å; I806-S808 VanDerWaalsContact CD1-OG 3.32Å; I806-S808 WeakPolarHBondContact CD1-OG 3.23Å; I806-S808 WeakPolarHBondContact CG1-OG 2.87Å; I806-S808 PolarHBondContact O-N 3.13Å |
| 809 | A | 80.4 | Confident | 78 | Confident | 41 Ų | 41 | 86.7 Ų | 86.7 | 34% | 0.339 | 43% | 0.433 | S | S | . | . | G | 310 helix | trans | -87.8 | 0.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | K801 T805 I806 N807 | K801-A809 PolarHBondContact NZ-O 3.19Å; T805-A809 WeakPolarHBondContact OG1-CB 3.35Å; I806-A809 HydrophobicContact CG1-CB 3.91Å; I806-A809 PolarHBondContact O-N 3.28Å; N807-A809 VanDerWaalsContact C-N 3.25Å; N807-A809 PolarHBondContact O-N 2.91Å |
| 810 | C | 80.4 | Confident | 77.7 | Confident | 9 Ų | 9 | 87.4 Ų | 87.4 | 6% | 0.061 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -17.9 | 175.8 | -166.6 | 0 | 0 | 0 | 0 | 113.8 | C798 T805 N807 E812 W817 | C798-C810 VanDerWaalsContact CA-SG 3.59Å; C798-C810 HydrophobicContact CB-CB 3.99Å; C798-C810 WeakPolarHBondContact CB-SG 3.49Å; C798-C810 VanDerWaalsContact SG-CA 3.52Å; C798-C810 WeakPolarHBondContact SG-CB 3.38Å; C798-C810 CovalentContact SG-SG 2.04Å; C798-C810 PolarHBondContact SG-SG 2.99Å; T805-C810 HydrophobicContact CG2-CB 4.06Å; N807-C810 PolarHBondContact O-N 3.05Å; N807-C810 VanDerWaalsContact O-N 3.08Å; C810-E812 PolarHBondContact O-N 2.96Å; C810-E812 VanDerWaalsContact O-N 3.12Å; C810-W817 HydrophobicContact CB-CG 4.4Å |
| 811 | R | 65.9 | Low | 77.7 | Confident | 199 Ų | 199 | 92.4 Ų | 92.4 | 75% | 0.751 | 45% | 0.452 | S | S | * | . | trans | -77.1 | 93.2 | -172.6 | -74.6 | -177.7 | 171.2 | -166 | -5.6 | 113.7 | ||||
| 812 | E | 59.1 | Low | 77.8 | Confident | 164 Ų | 164 | 89.4 Ų | 89.4 | 77% | 0.766 | 44% | 0.442 | S | S | * | . | S | Bend | trans | -129.5 | -22.8 | 159.8 | -84.7 | -172 | 156.1 | 0 | 0 | 115.2 | C810 | C810-E812 PolarHBondContact O-N 2.96Å; C810-E812 VanDerWaalsContact O-N 3.12Å |
| 813 | N | 56.4 | Low | 77.7 | Confident | 139 Ų | 139 | 83.4 Ų | 83.4 | 74% | 0.743 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -156.5 | 159.1 | 169 | -93.8 | -54.8 | 0 | 0 | 0 | 111.3 | F815 | N813-F815 VanDerWaalsContact C-N 3.3Å; N813-F815 PolarHBondContact O-N 2.95Å |
| 814 | A | 53.8 | Low | 77.7 | Confident | 101 Ų | 101 | 81.7 Ų | 81.7 | 84% | 0.835 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -74.9 | 53.4 | -158.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 815 | F | 57.2 | Low | 77.4 | Confident | 171 Ų | 171 | 82.9 Ų | 82.9 | 75% | 0.75 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -121.8 | 149 | 174.7 | -64.9 | -82.3 | 0 | 0 | 0 | 111.9 | N813 W817 | N813-F815 VanDerWaalsContact C-N 3.3Å; N813-F815 PolarHBondContact O-N 2.95Å; F815-W817 PolarHBondContact O-N 3.01Å |
| 816 | R | 74.3 | Confident | 77.3 | Confident | 190 Ų | 190 | 87 Ų | 87 | 72% | 0.717 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -58.9 | 122.3 | -160.1 | -79.2 | 176.6 | 163.8 | 156.3 | -6.6 | 114.9 | M799 L818 | M799-R816 WeakPolarHBondContact CB-O 3.27Å; M799-R816 WeakPolarHBondContact CG-O 3.31Å; R816-L818 HydrophobicContact CB-CD2 4.28Å |
| 817 | W | 85.7 | Confident | 77.4 | Confident | 39 Ų | 39 | 86.4 Ų | 86.4 | 15% | 0.148 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 122.9 | 147.8 | -174.1 | 87.6 | 0 | 0 | 0 | 107.4 | G796 W797 T805 N807 C810 F815 H819 | G796-W817 PolarHBondContact O-NE1 2.66Å; W797-W817 WeakPolarHBondContact O-CA 3.26Å; T805-W817 PolarHBondContact O-NE1 3.47Å; N807-W817 HydrophobicContact CB-CD2 4.29Å; N807-W817 HydrophobicContact CB-CH2 4.38Å; N807-W817 HydrophobicContact CB-CZ2 4.02Å; C810-W817 HydrophobicContact CB-CG 4.4Å; F815-W817 PolarHBondContact O-N 3.01Å; W817-H819 AromaticContact CE3-CD2 3.66Å; W817-H819 AromaticContact CE3-CE1 3.92Å; W817-H819 AromaticContact CE3-CG 3.99Å; W817-H819 AromaticContact CE3-NE2 3.63Å; W817-H819 HydrophobicContact CZ3-CB 4.47Å; W817-H819 AromaticContact CZ3-CD2 3.86Å; W817-H819 AromaticContact CZ3-CE1 3.56Å; W817-H819 AromaticContact CZ3-CG 3.73Å; W817-H819 AromaticContact CZ3-ND1 3.55Å; W817-H819 AromaticContact CZ3-NE2 3.77Å |
| 818 | L | 87 | Confident | 77.7 | Confident | 6 Ų | 6 | 89.5 Ų | 89.5 | 3% | 0.031 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 130 | -178.6 | -63.1 | -178.7 | 0 | 0 | 0 | 110.4 | L787 W797 M799 R816 D822 | L787-L818 HydrophobicContact CD1-CB 4.14Å; L787-L818 HydrophobicContact CD1-CD1 4.45Å; L787-L818 HydrophobicContact CD2-CB 3.99Å; L787-L818 VanDerWaalsContact CD2-O 3.25Å; L787-L818 WeakPolarHBondContact CD2-O 3.11Å; W797-L818 HydrophobicContact CB-CB 4.24Å; W797-L818 PolarHBondContact N-O 3.22Å; W797-L818 PolarHBondContact O-N 2.95Å; M799-L818 HydrophobicContact CE-CD1 3.78Å; M799-L818 HydrophobicContact CE-CD2 4.05Å; M799-L818 HydrophobicContact CE-CG 4.12Å; M799-L818 HydrophobicContact CG-CD1 4.48Å; M799-L818 HydrophobicContact CG-CG 4.23Å; M799-L818 HydrophobicContact SD-CD1 3.95Å; M799-L818 HydrophobicContact SD-CG 4.33Å; R816-L818 HydrophobicContact CB-CD2 4.28Å; L818-D822 HydrophobicContact CB-CB 4.15Å; L818-D822 HydrophobicContact CD2-CB 3.84Å; L818-D822 HydrophobicContact CG-CB 4.45Å |
| 819 | H | 83 | Confident | 78.3 | Confident | 105 Ų | 105 | 86 Ų | 86 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -85.8 | 162.4 | 172.3 | -72.2 | -105.9 | 0 | 0 | 0 | 110.3 | W817 K821 D822 | W817-H819 AromaticContact CE3-CD2 3.66Å; W817-H819 AromaticContact CE3-CE1 3.92Å; W817-H819 AromaticContact CE3-CG 3.99Å; W817-H819 AromaticContact CE3-NE2 3.63Å; W817-H819 HydrophobicContact CZ3-CB 4.47Å; W817-H819 AromaticContact CZ3-CD2 3.86Å; W817-H819 AromaticContact CZ3-CE1 3.56Å; W817-H819 AromaticContact CZ3-CG 3.73Å; W817-H819 AromaticContact CZ3-ND1 3.55Å; W817-H819 AromaticContact CZ3-NE2 3.77Å; H819-K821 PolarHBondContact O-N 3.04Å; H819-D822 PolarHBondContact N-OD2 3.46Å; H819-D822 PolarHBondContact O-N 3.25Å |
| 820 | K | 78.4 | Confident | 78.8 | Confident | 88 Ų | 88 | 88 Ų | 88 | 38% | 0.383 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.9 | -16.1 | 177.3 | -178.7 | 148 | -159.4 | 162.5 | 0 | 116.1 | L787 D788 L789 R854 | L787-K820 WeakPolarHBondContact O-CD 3.41Å; L787-K820 WeakPolarHBondContact O-CE 3.15Å; L787-K820 WeakPolarHBondContact O-CG 3.31Å; D788-K820 VanDerWaalsContact C-NZ 3.3Å; D788-K820 PolarHBondContact O-NZ 2.93Å; L789-K820 PolarHBondContact O-NZ 3.43Å; K820-R854 PolarHBondContact O-NH1 2.88Å |
| 821 | K | 80.6 | Confident | 79.4 | Confident | 191 Ų | 191 | 93.4 Ų | 93.4 | 83% | 0.83 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -9.4 | 178.5 | -65.1 | -173.2 | 178.1 | -176.7 | 0 | 114.5 | H819 | H819-K821 PolarHBondContact O-N 3.04Š|
| 822 | D | 84.1 | Confident | 80.8 | Confident | 53 Ų | 53 | 84.5 Ų | 84.5 | 28% | 0.283 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -83.7 | 156.2 | -179.8 | -63.9 | -53 | 0 | 0 | 0 | 111.6 | L787 L818 H819 | L787-D822 WeakPolarHBondContact CD1-O 3.45Å; L818-D822 HydrophobicContact CB-CB 4.15Å; L818-D822 HydrophobicContact CD2-CB 3.84Å; L818-D822 HydrophobicContact CG-CB 4.45Å; H819-D822 PolarHBondContact N-OD2 3.46Å; H819-D822 PolarHBondContact O-N 3.25Å |
| 823 | I | 82.9 | Confident | 82.4 | Confident | 29 Ų | 29 | 83.2 Ų | 83.2 | 15% | 0.149 | 41% | 0.406 | C | S | . | . | P | Polyproline II helix | trans | -99.4 | 130.8 | 176.1 | -52.1 | -172.1 | 0 | 0 | 0 | 109.4 | I904 K905 Y910 | I823-I904 HydrophobicContact CG2-CG2 4.07Å; I823-K905 HydrophobicContact CD1-CD 4.08Å; I823-K905 VanDerWaalsContact CD1-CE 3.45Å; I823-K905 HydrophobicContact CD1-CG 4.48Å; I823-Y910 HydrophobicContact CB-CD1 4.43Å; I823-Y910 HydrophobicContact CB-CE1 3.86Å; I823-Y910 HydrophobicContact CG2-CD1 3.77Å; I823-Y910 HydrophobicContact CG2-CE1 3.66Å |
| 824 | C | 87.8 | Confident | 84.1 | Confident | 5 Ų | 5 | 76.9 Ų | 76.9 | 3% | 0.034 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -66.3 | 126.1 | 175.6 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | C783 G784 N851 | C783-C824 HydrophobicContact CB-CB 3.72Å; C783-C824 WeakPolarHBondContact CB-SG 3.42Å; C783-C824 VanDerWaalsContact SG-CA 3.52Å; C783-C824 WeakPolarHBondContact SG-CB 3.39Å; C783-C824 CovalentContact SG-SG 2.04Å; C783-C824 PolarHBondContact SG-SG 2.83Å; G784-C824 PolarHBondContact N-SG 3.38Å; C824-N851 HydrophobicContact CB-CB 4.02Å |
| 825 | P | 86.3 | Confident | 85.9 | Confident | 24 Ų | 24 | 74.6 Ų | 74.6 | 16% | 0.156 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -77.2 | 172.3 | 175.4 | 34.8 | -37.6 | 0 | 0 | 0 | 111.7 | M799 N851 Y910 | M799-P825 HydrophobicContact CE-CG 3.88Å; P825-N851 PolarHBondContact O-ND2 3.22Å; P825-Y910 HydrophobicContact CB-CE1 4.35Å |
| 826 | N | 86.5 | Confident | 87.5 | Confident | 111 Ų | 111 | 66.9 Ų | 66.9 | 59% | 0.594 | 32% | 0.316 | S | S | * | . | trans | 57 | 58.2 | 176.7 | -53.4 | -38.5 | 0 | 0 | 0 | 113.3 | D909 | N826-D909 PolarHBondContact N-O 3.12Š| ||
| 827 | P | 90.5 | Very high | 88.3 | Confident | 9 Ų | 9 | 57.9 Ų | 57.9 | 6% | 0.058 | 28% | 0.282 | C | S | . | . | trans | -62.7 | 139.3 | 167.5 | 31.3 | -34.9 | 0 | 0 | 0 | 109.5 | I850 L852 I904 D909 Y910 A912 | P827-I850 WeakPolarHBondContact CA-O 3.14Å; P827-L852 HydrophobicContact CB-CD2 4.41Å; P827-I904 HydrophobicContact CB-CD1 3.87Å; P827-I904 HydrophobicContact CG-CD1 4.12Å; P827-D909 VanDerWaalsContact CD-O 3.27Å; P827-D909 WeakPolarHBondContact CD-O 3.4Å; P827-Y910 VanDerWaalsContact CG-C 3.47Å; P827-A912 HydrophobicContact CB-CB 4.05Å; P827-A912 HydrophobicContact CG-CB 4.2Å; P827-A912 WeakPolarHBondContact O-CB 3.23Å | ||
| 828 | K | 90.5 | Very high | 88.6 | Confident | 126 Ų | 126 | 56 Ų | 56 | 55% | 0.548 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 127.5 | 179.7 | -178.9 | 177.1 | -179.1 | 178 | 0 | 110.7 | G849 I850 | K828-G849 CarbonylContact O-C 3.57Å; K828-G849 WeakPolarHBondContact O-CA 3.36Å; K828-I850 HydrophobicContact CB-CD1 4.44Å; K828-I850 HydrophobicContact CB-CG1 3.91Å; K828-I850 PolarHBondContact N-O 3.06Å; K828-I850 PolarHBondContact O-N 3.03Å |
| 829 | I | 93.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.036 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.1 | 168.4 | -61.6 | 165.5 | 0 | 0 | 0 | 107.6 | I847 V900 V902 A912 | I829-I847 HydrophobicContact CB-CG2 4.39Å; I829-I847 HydrophobicContact CD1-CG2 4.17Å; I829-I847 HydrophobicContact CG1-CG2 3.78Å; I829-I847 HydrophobicContact CG2-CG2 3.85Å; I829-V900 HydrophobicContact CD1-CG1 4.45Å; I829-V902 HydrophobicContact CD1-CG2 3.98Å; I829-V902 HydrophobicContact CG1-CG2 4.36Å; I829-A912 HydrophobicContact CD1-CB 4.14Å; I829-A912 HydrophobicContact CG1-CB 3.85Å |
| 830 | S | 91.2 | Very high | 89.1 | Confident | 81 Ų | 81 | 54.3 Ų | 54.3 | 57% | 0.566 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -36.3 | 176.5 | 63.6 | 0 | 0 | 0 | 0 | 112.4 | E848 | S830-E848 PolarHBondContact N-O 3.11Å; S830-E848 VanDerWaalsContact OG-C 3.27Å; S830-E848 PolarHBondContact OG-O 3.38Å |
| 831 | K | 93.9 | Very high | 89.6 | Confident | 123 Ų | 123 | 50.1 Ų | 50.1 | 54% | 0.535 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -166.6 | 165.1 | 174.7 | 61.3 | -177.1 | -179 | -177.6 | 0 | 109.8 | E848 | K831-E848 VanDerWaalsContact CE-CD 3.45Å; K831-E848 WeakPolarHBondContact CE-OE2 3.43Å; K831-E848 HydrophobicContact CG-CB 4.29Å; K831-E848 IonicContact NZ-OE2 3.91Å; K831-E848 PolarHBondContact NZ-OE2 3.26Å; K831-E848 PolarHBondContact O-N 3.4Å |
| 832 | F | 94.4 | Very high | 90.1 | Very high | 13 Ų | 13 | 41.3 Ų | 41.3 | 6% | 0.057 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 157.9 | 165.8 | 66.2 | -84.9 | 0 | 0 | 0 | 111.6 | T835 V845 T846 I847 V900 Q916 F918 | F832-T835 HydrophobicContact CE2-CG2 4.32Å; F832-V845 HydrophobicContact CB-CG1 4.19Å; F832-V845 HydrophobicContact CD2-CG1 4.07Å; F832-T846 CarbonylContact C-O 3.49Å; F832-T846 WeakPolarHBondContact CA-O 3.49Å; F832-T846 WeakPolarHBondContact CB-O 3.5Å; F832-I847 HydrophobicContact CB-CG1 4.33Å; F832-V900 HydrophobicContact CD1-CG2 4.1Å; F832-V900 HydrophobicContact CD2-CG2 4.04Å; F832-V900 HydrophobicContact CE1-CG2 4.05Å; F832-V900 HydrophobicContact CE2-CG2 3.97Å; F832-V900 HydrophobicContact CG-CG2 4.1Å; F832-V900 HydrophobicContact CZ-CG2 4Å; F832-Q916 HydrophobicContact CE1-CB 3.88Å; F832-Q916 WeakPolarHBondContact CE1-O 3.45Å; F832-Q916 HydrophobicContact CZ-CB 4.1Å; F832-F918 HydrophobicContact CE2-CB 3.96Å; F832-F918 HydrophobicContact CE2-CD2 4.06Å; F832-F918 HydrophobicContact CZ-CB 4.33Å |
| 833 | F | 93.1 | Very high | 90.5 | Very high | 136 Ų | 136 | 38.8 Ų | 38.8 | 60% | 0.596 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 141 | 177.6 | 179.7 | -92.8 | 0 | 0 | 0 | 110.6 | T846 | F833-T846 PolarHBondContact N-O 3.18Å; F833-T846 PolarHBondContact O-N 3.25Å |
| 834 | P | 92.1 | Very high | 91 | Very high | 6 Ų | 6 | 42.6 Ų | 42.6 | 4% | 0.039 | 21% | 0.213 | C | C | . | . | cis | -73.5 | 163.2 | -5 | 33.3 | -37.1 | 0 | 0 | 0 | 112.7 | T843 Y844 F918 | P834-T843 HydrophobicContact CG-CG2 3.45Å; P834-T843 VanDerWaalsContact CG-CG2 3.45Å; P834-Y844 WeakPolarHBondContact CD-O 3.36Å; P834-F918 WeakPolarHBondContact O-CD2 3.39Å | ||
| 835 | T | 90.9 | Very high | 91.3 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 33% | 0.325 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -85.8 | -10.3 | 180 | 48.9 | 0 | 0 | 0 | 0 | 114.2 | F832 F918 H919 | F832-T835 HydrophobicContact CE2-CG2 4.32Å; T835-F918 WeakPolarHBondContact O-CA 3.47Å; T835-H919 PolarHBondContact O-N 2.92Å |
| 836 | S | 91.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 150.6 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 111.6 | H919 G951 | S836-H919 CarbonylContact C-O 3.5Å; S836-H919 WeakPolarHBondContact CA-O 3.36Å; S836-H919 WeakPolarHBondContact CB-O 3.31Å; S836-G951 PolarHBondContact O-N 2.93Å |
| 837 | G | 90.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.6 | 164.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | H919 Y920 V921 | G837-H919 PolarHBondContact N-O 3.18Å; G837-Y920 CarbonylContact O-C 3.51Å; G837-Y920 WeakPolarHBondContact O-CA 3.39Å; G837-V921 WeakPolarHBondContact O-CG2 3.46Å; G837-V921 PolarHBondContact O-N 2.76Å |
| 838 | P | 91.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 150.9 | 178.8 | 27.6 | -36.5 | 0 | 0 | 0 | 113 | E840 G841 Y920 V921 F993 D994 A996 | P838-E840 WeakPolarHBondContact CB-OE2 3.31Å; P838-E840 PolarHBondContact O-N 2.94Å; P838-G841 PolarHBondContact O-N 3.2Å; P838-Y920 WeakPolarHBondContact O-CD1 3.46Å; P838-V921 WeakPolarHBondContact CA-O 3.46Å; P838-F993 HydrophobicContact CG-CB 4.49Å; P838-F993 WeakPolarHBondContact CG-O 3.43Å; P838-D994 HydrophobicContact CG-CB 4.22Å; P838-A996 HydrophobicContact CB-CB 3.45Å; P838-A996 VanDerWaalsContact CB-CB 3.45Å; P838-A996 HydrophobicContact CG-CB 4.03Å |
| 839 | V | 90.5 | Very high | 92.3 | Very high | 12 Ų | 12 | 35.1 Ų | 35.1 | 7% | 0.073 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -24.9 | 173.6 | -65.4 | 0 | 0 | 0 | 0 | 113.2 | G841 A890 V921 I922 | V839-G841 VanDerWaalsContact C-N 3.25Å; V839-G841 PolarHBondContact O-N 3.01Å; V839-A890 HydrophobicContact CB-CB 4.34Å; V839-A890 PolarHBondContact O-N 3.44Å; V839-V921 PolarHBondContact N-O 2.97Å; V839-V921 VanDerWaalsContact N-O 3.16Å; V839-I922 HydrophobicContact CG1-CG1 4Å; V839-I922 HydrophobicContact CG2-CG1 3.98Å |
| 840 | E | 89.6 | Confident | 92.1 | Very high | 64 Ų | 64 | 39 Ų | 39 | 30% | 0.299 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -12.6 | 175.7 | -60.1 | 87.5 | 156.9 | 0 | 0 | 113.5 | P838 N995 A996 K998 | P838-E840 WeakPolarHBondContact CB-OE2 3.31Å; P838-E840 PolarHBondContact O-N 2.94Å; E840-N995 HydrophobicContact CB-CB 4.43Å; E840-A996 HydrophobicContact CB-CB 4.06Å; E840-A996 VanDerWaalsContact CD-CB 3.44Å; E840-A996 HydrophobicContact CG-CB 4.04Å; E840-A996 WeakPolarHBondContact OE2-CB 3.06Å; E840-K998 IonicContact OE1-NZ 2.63Å; E840-K998 PolarHBondContact OE1-NZ 3.14Å |
| 841 | G | 89.5 | Confident | 92 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | 78.5 | -158.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P838 V839 D994 N995 | P838-G841 PolarHBondContact O-N 3.2Å; V839-G841 VanDerWaalsContact C-N 3.25Å; V839-G841 PolarHBondContact O-N 3.01Å; G841-D994 WeakPolarHBondContact O-CB 3.43Å; G841-N995 WeakPolarHBondContact O-CB 3.25Å; G841-N995 PolarHBondContact O-N 3.44Å | ||
| 842 | G | 90.6 | Very high | 91.8 | Very high | 5 Ų | 5 | 30.2 Ų | 30.2 | 5% | 0.052 | 15% | 0.151 | C | C | . | . | trans | 87.3 | 0.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115 | Y844 T887 N995 | G842-Y844 PolarHBondContact O-N 3.02Å; G842-T887 PolarHBondContact N-O 2.93Å; G842-T887 PolarHBondContact N-OG1 3.29Å; G842-N995 WeakPolarHBondContact CA-ND2 3.39Å; G842-N995 PolarHBondContact N-ND2 3.29Å | ||
| 843 | T | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -73.4 | 123.3 | -177.2 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | P834 V845 V886 T887 F918 D994 | P834-T843 HydrophobicContact CG-CG2 3.45Å; P834-T843 VanDerWaalsContact CG-CG2 3.45Å; T843-V845 HydrophobicContact CG2-CG2 3.97Å; T843-V845 PolarHBondContact O-N 2.72Å; T843-V845 VanDerWaalsContact O-N 3.14Å; T843-V886 WeakPolarHBondContact O-CA 3.18Å; T843-T887 WeakPolarHBondContact CB-OG1 3.4Å; T843-T887 PolarHBondContact N-OG1 3.02Å; T843-T887 PolarHBondContact O-N 2.82Å; T843-F918 HydrophobicContact CG2-CE2 4.16Å; T843-F918 HydrophobicContact CG2-CZ 4.1Å; T843-D994 WeakPolarHBondContact CA-OD2 3.4Å; T843-D994 VanDerWaalsContact CB-OD2 3.22Å; T843-D994 WeakPolarHBondContact CB-OD2 3.44Å; T843-D994 PolarHBondContact OG1-OD2 3.12Å | ||
| 844 | Y | 94.2 | Very high | 90.7 | Very high | 109 Ų | 109 | 26 Ų | 26 | 43% | 0.427 | 13% | 0.131 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 93.3 | 169.3 | -73.1 | -108 | 0 | 0 | 0 | 109.8 | P834 G842 V873 V884 C885 V886 S952 | P834-Y844 WeakPolarHBondContact CD-O 3.36Å; G842-Y844 PolarHBondContact O-N 3.02Å; Y844-V873 HydrophobicContact CD1-CG2 4.45Å; Y844-V873 HydrophobicContact CE1-CG2 4.09Å; Y844-V884 HydrophobicContact CD1-CG1 3.99Å; Y844-C885 CarbonylContact C-O 3.57Å; Y844-C885 WeakPolarHBondContact CA-O 3.47Å; Y844-V886 HydrophobicContact CD1-CG2 3.92Å; Y844-V886 HydrophobicContact CD2-CG2 4.2Å; Y844-V886 HydrophobicContact CE1-CG2 3.67Å; Y844-V886 HydrophobicContact CE2-CG2 3.96Å; Y844-V886 HydrophobicContact CG-CG2 4.17Å; Y844-S952 PolarHBondContact N-OG 2.8Å |
| 845 | V | 93.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 115.1 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 108.7 | F832 T843 I847 I865 V884 C885 T887 F918 | F832-V845 HydrophobicContact CB-CG1 4.19Å; F832-V845 HydrophobicContact CD2-CG1 4.07Å; T843-V845 HydrophobicContact CG2-CG2 3.97Å; T843-V845 PolarHBondContact O-N 2.72Å; T843-V845 VanDerWaalsContact O-N 3.14Å; V845-I847 HydrophobicContact CG1-CG1 4.01Å; V845-I865 HydrophobicContact CG2-CD1 4.23Å; V845-V884 WeakPolarHBondContact O-CA 2.87Å; V845-C885 PolarHBondContact N-O 2.89Å; V845-C885 PolarHBondContact O-N 2.88Å; V845-T887 HydrophobicContact CG2-CG2 3.76Å; V845-F918 HydrophobicContact CG2-CD2 4.05Å; V845-F918 HydrophobicContact CG2-CE2 3.56Å; V845-F918 HydrophobicContact CG2-CZ 4.18Å |
| 846 | T | 95.4 | Very high | 90.1 | Very high | 38 Ų | 38 | 28.9 Ų | 28.9 | 23% | 0.233 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 120.4 | 171.7 | -60.5 | 0 | 0 | 0 | 0 | 108.9 | F832 F833 E848 R882 V884 | F832-T846 CarbonylContact C-O 3.49Å; F832-T846 WeakPolarHBondContact CA-O 3.49Å; F832-T846 WeakPolarHBondContact CB-O 3.5Å; F833-T846 PolarHBondContact N-O 3.18Å; F833-T846 PolarHBondContact O-N 3.25Å; T846-E848 HydrophobicContact CG2-CG 4.39Å; T846-R882 HydrophobicContact CG2-CG 4.01Å; T846-V884 HydrophobicContact CG2-CG2 4.15Å |
| 847 | I | 94.5 | Very high | 89.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 118.1 | -179.8 | -52.9 | 169.4 | 0 | 0 | 0 | 107.2 | I829 F832 V845 L852 V863 R882 I883 V900 V902 | I829-I847 HydrophobicContact CB-CG2 4.39Å; I829-I847 HydrophobicContact CD1-CG2 4.17Å; I829-I847 HydrophobicContact CG1-CG2 3.78Å; I829-I847 HydrophobicContact CG2-CG2 3.85Å; F832-I847 HydrophobicContact CB-CG1 4.33Å; V845-I847 HydrophobicContact CG1-CG1 4.01Å; I847-L852 HydrophobicContact CG2-CD1 4.36Å; I847-V863 HydrophobicContact CD1-CG1 3.58Å; I847-R882 CarbonylContact O-C 3.53Å; I847-R882 WeakPolarHBondContact O-CA 3.36Å; I847-I883 HydrophobicContact CB-CB 4.41Å; I847-I883 PolarHBondContact N-O 3.21Å; I847-I883 PolarHBondContact O-N 3.05Å; I847-V900 HydrophobicContact CD1-CG1 3.54Å; I847-V900 HydrophobicContact CG1-CG1 4.15Å; I847-V902 HydrophobicContact CD1-CG2 4.18Å; I847-V902 HydrophobicContact CG2-CG2 4.43Å |
| 848 | E | 93.9 | Very high | 89.5 | Confident | 69 Ų | 69 | 33.8 Ų | 33.8 | 32% | 0.322 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 149.8 | 175.7 | -73 | 179.3 | -163.3 | 0 | 0 | 110.2 | S830 K831 T846 S881 R882 | S830-E848 PolarHBondContact N-O 3.11Å; S830-E848 VanDerWaalsContact OG-C 3.27Å; S830-E848 PolarHBondContact OG-O 3.38Å; K831-E848 VanDerWaalsContact CE-CD 3.45Å; K831-E848 WeakPolarHBondContact CE-OE2 3.43Å; K831-E848 HydrophobicContact CG-CB 4.29Å; K831-E848 IonicContact NZ-OE2 3.91Å; K831-E848 PolarHBondContact NZ-OE2 3.26Å; K831-E848 PolarHBondContact O-N 3.4Å; T846-E848 HydrophobicContact CG2-CG 4.39Å; E848-S881 WeakPolarHBondContact CA-O 3.3Å; E848-R882 HydrophobicContact CG-CB 4.44Å; E848-R882 HydrophobicContact CG-CG 4Å |
| 849 | G | 90.5 | Very high | 89.4 | Confident | 12 Ų | 12 | 33.8 Ų | 33.8 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 175.7 | -159.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K828 S881 | K828-G849 CarbonylContact O-C 3.57Å; K828-G849 WeakPolarHBondContact O-CA 3.36Å; G849-S881 PolarHBondContact N-O 2.04Å; G849-S881 WeakPolarHBondContact O-CA 3.41Å |
| 850 | I | 90.4 | Very high | 89.3 | Confident | 88 Ų | 88 | 38.9 Ų | 38.9 | 45% | 0.451 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 150.9 | 175.5 | 57.3 | 170.3 | 0 | 0 | 0 | 110.9 | P827 K828 L852 S880 | P827-I850 WeakPolarHBondContact CA-O 3.14Å; K828-I850 HydrophobicContact CB-CD1 4.44Å; K828-I850 HydrophobicContact CB-CG1 3.91Å; K828-I850 PolarHBondContact N-O 3.06Å; K828-I850 PolarHBondContact O-N 3.03Å; I850-L852 PolarHBondContact O-N 2.74Å; I850-L852 VanDerWaalsContact O-N 3.16Å; I850-S880 CarbonylContact C-O 3.51Å; I850-S880 WeakPolarHBondContact CA-O 3.05Å |
| 851 | N | 88.8 | Confident | 89.2 | Confident | 20 Ų | 20 | 41.1 Ų | 41.1 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | S | Bend | trans | 52.9 | 28.3 | -176.6 | -62.3 | -18 | 0 | 0 | 0 | 113.7 | C824 P825 G853 S880 I904 | C824-N851 HydrophobicContact CB-CB 4.02Å; P825-N851 PolarHBondContact O-ND2 3.22Å; N851-G853 PolarHBondContact O-N 2.89Å; N851-S880 WeakPolarHBondContact CA-OG 3.38Å; N851-S880 PolarHBondContact N-O 3.49Å; N851-I904 WeakPolarHBondContact O-CD1 3.43Å |
| 852 | L | 89.3 | Confident | 89.2 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -74.7 | 44.7 | -176.5 | -62.3 | -172.7 | 0 | 0 | 0 | 114 | P827 I847 I850 I859 S880 I883 | P827-L852 HydrophobicContact CB-CD2 4.41Å; I847-L852 HydrophobicContact CG2-CD1 4.36Å; I850-L852 PolarHBondContact O-N 2.74Å; I850-L852 VanDerWaalsContact O-N 3.16Å; L852-I859 WeakPolarHBondContact O-CG2 3.41Å; L852-S880 PolarHBondContact N-O 2.69Å; L852-S880 VanDerWaalsContact N-O 3.16Å; L852-I883 HydrophobicContact CB-CD1 4.08Å; L852-I883 HydrophobicContact CB-CG1 4.23Å; L852-I883 HydrophobicContact CD1-CG1 4.39Å | ||
| 853 | G | 84.8 | Confident | 89.3 | Confident | 2 Ų | 2 | 41.1 Ų | 41.1 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | trans | 93.3 | 157.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N851 Y877 S880 | N851-G853 PolarHBondContact O-N 2.89Å; G853-Y877 PolarHBondContact O-OH 2.79Å; G853-Y877 VanDerWaalsContact O-OH 3.08Å; G853-S880 WeakPolarHBondContact O-CA 2.91Å; G853-S880 VanDerWaalsContact O-CB 3.31Å; G853-S880 WeakPolarHBondContact O-CB 3.37Å; G853-S880 PolarHBondContact O-N 2.86Å; G853-S880 PolarHBondContact O-OG 2.92Å | ||
| 854 | R | 81.1 | Confident | 89.3 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -106.8 | -29.5 | 176.2 | 177.6 | -168.7 | 61.4 | 93.8 | 27.3 | 111.4 | K820 E858 T879 | K820-R854 PolarHBondContact O-NH1 2.88Å; R854-E858 WeakPolarHBondContact CB-OE2 3.4Å; R854-E858 IonicContact CZ-OE1 2.92Å; R854-E858 PolarHBondContact N-OE2 3.33Å; R854-E858 IonicContact NE-OE1 3.61Å; R854-E858 PolarHBondContact NE-OE1 3.38Å; R854-E858 VanDerWaalsContact NE-OE1 3.09Å; R854-E858 IonicContact NH2-OE1 3.32Å; R854-E858 PolarHBondContact NH2-OE1 3.04Å; R854-T879 WeakPolarHBondContact O-CG2 3.45Å |
| 855 | D | 81.5 | Confident | 89.2 | Confident | 71 Ų | 71 | 41.5 Ų | 41.5 | 38% | 0.38 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -131.3 | 152.3 | -177.7 | -166.7 | -61.2 | 0 | 0 | 0 | 109.5 | S857 E858 | D855-S857 PolarHBondContact O-N 2.95Å; D855-S857 WeakPolarHBondContact OD1-CB 3.19Å; D855-S857 PolarHBondContact OD1-N 3.41Å; D855-S857 PolarHBondContact OD1-OG 2.86Å; D855-E858 HydrophobicContact CB-CG 4.2Å; D855-E858 WeakPolarHBondContact O-CB 3.19Å; D855-E858 PolarHBondContact O-N 2.83Å; D855-E858 VanDerWaalsContact O-N 3.12Å |
| 856 | F | 87.4 | Confident | 88.7 | Confident | 50 Ų | 50 | 45.5 Ų | 45.5 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -61.9 | -33.2 | 176.8 | -175.8 | -98.2 | 0 | 0 | 0 | 111.8 | E858 I859 E860 P872 A874 Y877 | F856-E858 PolarHBondContact O-N 3.05Å; F856-I859 HydrophobicContact CD2-CD1 3.81Å; F856-I859 HydrophobicContact CD2-CG1 3.98Å; F856-I859 HydrophobicContact CE2-CD1 4.03Å; F856-I859 HydrophobicContact CE2-CG1 4.34Å; F856-I859 HydrophobicContact CG-CG1 4.48Å; F856-I859 WeakPolarHBondContact O-CG1 3.48Å; F856-I859 PolarHBondContact O-N 2.91Å; F856-E860 HydrophobicContact CE1-CB 4.27Å; F856-E860 HydrophobicContact CE1-CG 4.25Å; F856-E860 PolarHBondContact O-N 3Å; F856-E860 VanDerWaalsContact O-N 3.11Å; F856-P872 HydrophobicContact CE2-CB 3.82Å; F856-P872 HydrophobicContact CZ-CB 4.13Å; F856-A874 HydrophobicContact CD1-CB 4.2Å; F856-A874 HydrophobicContact CD2-CB 4.07Å; F856-A874 HydrophobicContact CE1-CB 3.99Å; F856-A874 HydrophobicContact CE2-CB 3.85Å; F856-A874 HydrophobicContact CG-CB 4.25Å; F856-A874 HydrophobicContact CZ-CB 3.8Å; F856-Y877 HydrophobicContact CB-CD1 4.13Å; F856-Y877 HydrophobicContact CB-CE1 4.38Å; F856-Y877 HydrophobicContact CD2-CD1 4.09Å; F856-Y877 HydrophobicContact CD2-CG 4.14Å |
| 857 | S | 86.8 | Confident | 88.1 | Confident | 77 Ų | 77 | 50.3 Ų | 50.3 | 54% | 0.538 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -61.3 | -23.7 | 175.3 | 55 | 0 | 0 | 0 | 0 | 114 | D855 | D855-S857 PolarHBondContact O-N 2.95Å; D855-S857 WeakPolarHBondContact OD1-CB 3.19Å; D855-S857 PolarHBondContact OD1-N 3.41Å; D855-S857 PolarHBondContact OD1-OG 2.86Å |
| 858 | E | 84.1 | Confident | 87.8 | Confident | 35 Ų | 35 | 50.9 Ų | 50.9 | 16% | 0.164 | 26% | 0.263 | C | S | . | . | G | 310 helix | trans | -80.3 | -16.8 | 176.3 | -64.7 | 170.2 | -168.8 | 0 | 0 | 112.6 | R854 D855 F856 I904 | R854-E858 WeakPolarHBondContact CB-OE2 3.4Å; R854-E858 IonicContact CZ-OE1 2.92Å; R854-E858 PolarHBondContact N-OE2 3.33Å; R854-E858 IonicContact NE-OE1 3.61Å; R854-E858 PolarHBondContact NE-OE1 3.38Å; R854-E858 VanDerWaalsContact NE-OE1 3.09Å; R854-E858 IonicContact NH2-OE1 3.32Å; R854-E858 PolarHBondContact NH2-OE1 3.04Å; D855-E858 HydrophobicContact CB-CG 4.2Å; D855-E858 WeakPolarHBondContact O-CB 3.19Å; D855-E858 PolarHBondContact O-N 2.83Å; D855-E858 VanDerWaalsContact O-N 3.12Å; F856-E858 PolarHBondContact O-N 3.05Å; E858-I904 HydrophobicContact CB-CG2 4.37Å |
| 859 | I | 89.1 | Confident | 87.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -17 | -175.6 | 63.6 | 154.7 | 0 | 0 | 0 | 114.8 | L852 F856 T861 A862 P872 Y877 I883 | L852-I859 WeakPolarHBondContact O-CG2 3.41Å; F856-I859 HydrophobicContact CD2-CD1 3.81Å; F856-I859 HydrophobicContact CD2-CG1 3.98Å; F856-I859 HydrophobicContact CE2-CD1 4.03Å; F856-I859 HydrophobicContact CE2-CG1 4.34Å; F856-I859 HydrophobicContact CG-CG1 4.48Å; F856-I859 WeakPolarHBondContact O-CG1 3.48Å; F856-I859 PolarHBondContact O-N 2.91Å; I859-T861 PolarHBondContact O-N 3.47Å; I859-A862 HydrophobicContact CB-CB 4.45Å; I859-A862 WeakPolarHBondContact O-CB 3.47Å; I859-A862 PolarHBondContact O-N 2.84Å; I859-P872 HydrophobicContact CD1-CB 3.99Å; I859-P872 HydrophobicContact CD1-CG 4.43Å; I859-P872 WeakPolarHBondContact O-CG 3.36Å; I859-Y877 HydrophobicContact CD1-CD1 4.34Å; I859-Y877 HydrophobicContact CD1-CD2 3.31Å; I859-Y877 HydrophobicContact CD1-CE2 3.56Å; I859-Y877 HydrophobicContact CD1-CG 3.74Å; I859-Y877 HydrophobicContact CG1-CD2 4.45Å; I859-Y877 HydrophobicContact CG1-CE2 4.34Å; I859-Y877 HydrophobicContact CG2-CE2 4.46Å; I859-I883 HydrophobicContact CB-CD1 4.37Å; I859-I883 HydrophobicContact CD1-CD1 4.34Å; I859-I883 HydrophobicContact CD1-CG1 4.07Å; I859-I883 HydrophobicContact CD1-CG2 3.97Å; I859-I883 HydrophobicContact CG2-CD1 4.02Å |
| 860 | E | 87.7 | Confident | 87.8 | Confident | 120 Ų | 120 | 50.2 Ų | 50.2 | 56% | 0.561 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.1 | -34.1 | -170.8 | -174.7 | 173.3 | -150.9 | 0 | 0 | 114.6 | F856 P872 | F856-E860 HydrophobicContact CE1-CB 4.27Å; F856-E860 HydrophobicContact CE1-CG 4.25Å; F856-E860 PolarHBondContact O-N 3Å; F856-E860 VanDerWaalsContact O-N 3.11Å; E860-P872 VanDerWaalsContact O-CD 3.3Å; E860-P872 WeakPolarHBondContact O-CD 3.47Å |
| 861 | T | 88.6 | Confident | 88 | Confident | 111 Ų | 111 | 49.2 Ų | 49.2 | 68% | 0.681 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.7 | 8 | 177.5 | 57.5 | 0 | 0 | 0 | 0 | 114.2 | I859 R864 | I859-T861 PolarHBondContact O-N 3.47Å; T861-R864 PolarHBondContact O-NH1 3.25Å |
| 862 | A | 89.3 | Confident | 88.2 | Confident | 5 Ų | 5 | 49.1 Ų | 49.1 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -25.2 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | I859 K903 | I859-A862 HydrophobicContact CB-CB 4.45Å; I859-A862 WeakPolarHBondContact O-CB 3.47Å; I859-A862 PolarHBondContact O-N 2.84Å; A862-K903 WeakPolarHBondContact CA-O 3.49Å; A862-K903 VanDerWaalsContact CB-O 3.22Å; A862-K903 WeakPolarHBondContact CB-O 3.49Å; A862-K903 PolarHBondContact O-N 2.98Å |
| 863 | V | 93.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 124.2 | -169.9 | -164.3 | 0 | 0 | 0 | 0 | 112.2 | I847 C870 P872 I883 V900 V901 V902 | I847-V863 HydrophobicContact CD1-CG1 3.58Å; V863-C870 HydrophobicContact CB-CB 4.33Å; V863-C870 HydrophobicContact CG1-CB 4.01Å; V863-C870 PolarHBondContact O-N 3.11Å; V863-C870 VanDerWaalsContact O-N 3.09Å; V863-P872 HydrophobicContact CG2-CG 3.95Å; V863-I883 HydrophobicContact CG2-CD1 4.3Å; V863-I883 HydrophobicContact CG2-CG2 4.08Å; V863-V900 HydrophobicContact CG1-CG1 4.27Å; V863-V901 WeakPolarHBondContact CA-O 3.11Å; V863-V902 HydrophobicContact CG1-CG2 4.32Å; V863-V902 HydrophobicContact CG2-CG2 4.21Å |
| 864 | R | 92.1 | Very high | 88.6 | Confident | 116 Ų | 116 | 53.7 Ų | 53.7 | 44% | 0.438 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 149.3 | 174.6 | -74.8 | -178.3 | 164.9 | 78 | -1 | 111 | T861 V868 V901 | T861-R864 PolarHBondContact O-NH1 3.25Å; R864-V868 WeakPolarHBondContact CA-O 3.21Å; R864-V901 PolarHBondContact N-O 3.43Å; R864-V901 PolarHBondContact O-N 2.9Å |
| 865 | I | 90.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 101.5 | 169.4 | -53.7 | -173.9 | 0 | 0 | 0 | 106.7 | V845 N867 V868 C870 T887 V900 F918 Y920 | V845-I865 HydrophobicContact CG2-CD1 4.23Å; I865-N867 PolarHBondContact O-N 2.89Å; I865-V868 PolarHBondContact N-O 3.29Å; I865-V868 PolarHBondContact O-N 3.34Å; I865-C870 HydrophobicContact CG1-CB 4.41Å; I865-T887 HydrophobicContact CD1-CG2 3.69Å; I865-V900 HydrophobicContact CD1-CG2 4.3Å; I865-V900 HydrophobicContact CG1-CG2 4.26Å; I865-F918 HydrophobicContact CD1-CB 4.17Å; I865-F918 HydrophobicContact CD1-CD1 3.94Å; I865-F918 HydrophobicContact CD1-CD2 4.22Å; I865-F918 HydrophobicContact CD1-CE1 4.35Å; I865-F918 HydrophobicContact CD1-CG 3.86Å; I865-F918 HydrophobicContact CG2-CB 3.75Å; I865-F918 HydrophobicContact CG2-CD1 3.96Å; I865-F918 HydrophobicContact CG2-CG 4.16Å; I865-Y920 HydrophobicContact CB-CE2 4.19Å; I865-Y920 HydrophobicContact CG2-CE2 3.77Å |
| 866 | N | 83.2 | Confident | 89.6 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 45% | 0.449 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.1 | -118.1 | -165.2 | -166.3 | 0.6 | 0 | 0 | 0 | 110.7 | P899 | N866-P899 PolarHBondContact N-O 3.32Š|
| 867 | N | 83.8 | Confident | 89.7 | Confident | 139 Ų | 139 | 59.4 Ų | 59.4 | 74% | 0.743 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.3 | -0.5 | 177.2 | -75.7 | -21.9 | 0 | 0 | 0 | 114.7 | I865 | I865-N867 PolarHBondContact O-N 2.89Š|
| 868 | V | 88.1 | Confident | 89.9 | Confident | 13 Ų | 13 | 58.7 Ų | 58.7 | 8% | 0.079 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.9 | -178.5 | -170.8 | 0 | 0 | 0 | 0 | 110.3 | R864 I865 G888 A890 Y920 | R864-V868 WeakPolarHBondContact CA-O 3.21Å; I865-V868 PolarHBondContact N-O 3.29Å; I865-V868 PolarHBondContact O-N 3.34Å; V868-G888 VanDerWaalsContact CG1-O 3.31Å; V868-G888 WeakPolarHBondContact CG1-O 3.45Å; V868-A890 HydrophobicContact CG2-CB 4.48Å; V868-Y920 HydrophobicContact CB-CE2 4.46Å; V868-Y920 WeakPolarHBondContact CB-OH 3.48Å; V868-Y920 VanDerWaalsContact CG1-OH 3.26Å; V868-Y920 WeakPolarHBondContact CG1-OH 3.05Å; V868-Y920 HydrophobicContact CG2-CE2 4.25Å |
| 869 | V | 91.3 | Very high | 90 | Very high | 65 Ų | 65 | 58.7 Ų | 58.7 | 39% | 0.394 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 136.5 | 175.9 | 179.6 | 0 | 0 | 0 | 0 | 109.7 | G888 | V869-G888 PolarHBondContact O-N 2.84Å |
| 870 | C | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.007 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 106.7 | 171.5 | -164.9 | 0 | 0 | 0 | 0 | 108.7 | V863 I865 P872 C885 V886 | V863-C870 HydrophobicContact CB-CB 4.33Å; V863-C870 HydrophobicContact CG1-CB 4.01Å; V863-C870 PolarHBondContact O-N 3.11Å; V863-C870 VanDerWaalsContact O-N 3.09Å; I865-C870 HydrophobicContact CG1-CB 4.41Å; C870-P872 VanDerWaalsContact O-CD 3.3Å; C870-P872 WeakPolarHBondContact O-CD 3.25Å; C870-C885 HydrophobicContact CB-CB 3.88Å; C870-C885 WeakPolarHBondContact CB-SG 3.37Å; C870-C885 WeakPolarHBondContact SG-CB 3.45Å; C870-C885 CovalentContact SG-SG 2.04Å; C870-C885 PolarHBondContact SG-SG 2.95Å; C870-V886 CarbonylContact C-O 3.52Å; C870-V886 WeakPolarHBondContact CA-O 3.46Å |
| 871 | S | 94.1 | Very high | 90 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 48% | 0.476 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 116.8 | -169.7 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | C885 V886 | S871-C885 CarbonylContact O-C 3.58Å; S871-C885 VanDerWaalsContact O-CA 3.23Å; S871-C885 WeakPolarHBondContact O-CA 3.45Å; S871-V886 PolarHBondContact N-O 2.77Å; S871-V886 PolarHBondContact O-N 3.46Å |
| 872 | P | 93.8 | Very high | 90.2 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 11% | 0.11 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 150.1 | -178.5 | -24.6 | 38.3 | 0 | 0 | 0 | 114.3 | F856 I859 E860 V863 C870 I883 V884 C885 | F856-P872 HydrophobicContact CE2-CB 3.82Å; F856-P872 HydrophobicContact CZ-CB 4.13Å; I859-P872 HydrophobicContact CD1-CB 3.99Å; I859-P872 HydrophobicContact CD1-CG 4.43Å; I859-P872 WeakPolarHBondContact O-CG 3.36Å; E860-P872 VanDerWaalsContact O-CD 3.3Å; E860-P872 WeakPolarHBondContact O-CD 3.47Å; V863-P872 HydrophobicContact CG2-CG 3.95Å; C870-P872 VanDerWaalsContact O-CD 3.3Å; C870-P872 WeakPolarHBondContact O-CD 3.25Å; P872-I883 HydrophobicContact CB-CG2 4Å; P872-I883 HydrophobicContact CG-CG2 4.21Å; P872-V884 CarbonylContact C-O 3.5Å; P872-V884 WeakPolarHBondContact CA-O 3.32Å; P872-C885 HydrophobicContact CG-CB 4.35Å |
| 873 | V | 92.7 | Very high | 90.4 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | trans | -106.1 | 107.4 | -177.4 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | Y844 K875 L876 Y877 V884 V886 | Y844-V873 HydrophobicContact CD1-CG2 4.45Å; Y844-V873 HydrophobicContact CE1-CG2 4.09Å; V873-K875 VanDerWaalsContact C-N 3.32Å; V873-K875 PolarHBondContact O-N 3.46Å; V873-L876 HydrophobicContact CB-CB 4.29Å; V873-L876 HydrophobicContact CB-CD1 4.32Å; V873-L876 HydrophobicContact CB-CG 4.46Å; V873-L876 HydrophobicContact CG1-CB 4.25Å; V873-L876 HydrophobicContact CG1-CD1 3.98Å; V873-L876 HydrophobicContact CG1-CG 3.97Å; V873-L876 PolarHBondContact O-N 2.82Å; V873-Y877 PolarHBondContact O-N 3.45Å; V873-V884 PolarHBondContact N-O 2.81Å; V873-V886 HydrophobicContact CG2-CG2 3.85Å | ||
| 874 | A | 90.2 | Very high | 90.5 | Very high | 62 Ų | 62 | 53.3 Ų | 53.3 | 51% | 0.512 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -52.5 | -42.3 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | F856 L876 Y877 | F856-A874 HydrophobicContact CD1-CB 4.2Å; F856-A874 HydrophobicContact CD2-CB 4.07Å; F856-A874 HydrophobicContact CE1-CB 3.99Å; F856-A874 HydrophobicContact CE2-CB 3.85Å; F856-A874 HydrophobicContact CG-CB 4.25Å; F856-A874 HydrophobicContact CZ-CB 3.8Å; A874-L876 PolarHBondContact O-N 2.54Å; A874-Y877 PolarHBondContact O-N 2.83Å |
| 875 | K | 91.1 | Very high | 90.6 | Very high | 200 Ų | 200 | 47.8 Ų | 47.8 | 87% | 0.87 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -67.1 | -15.2 | 178.7 | -66.4 | -173.9 | 179.8 | -178.7 | 0 | 114.5 | V873 | V873-K875 VanDerWaalsContact C-N 3.32Å; V873-K875 PolarHBondContact O-N 3.46Å |
| 876 | L | 91.7 | Very high | 90.8 | Very high | 65 Ų | 65 | 49.5 Ų | 49.5 | 34% | 0.34 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -115.3 | -2.3 | -175.5 | -61 | 179.3 | 0 | 0 | 0 | 113.1 | V873 A874 R882 V884 | V873-L876 HydrophobicContact CB-CB 4.29Å; V873-L876 HydrophobicContact CB-CD1 4.32Å; V873-L876 HydrophobicContact CB-CG 4.46Å; V873-L876 HydrophobicContact CG1-CB 4.25Å; V873-L876 HydrophobicContact CG1-CD1 3.98Å; V873-L876 HydrophobicContact CG1-CG 3.97Å; V873-L876 PolarHBondContact O-N 2.82Å; A874-L876 PolarHBondContact O-N 2.54Å; L876-R882 PolarHBondContact O-NH1 2.91Å; L876-R882 PolarHBondContact O-NH2 3.33Å; L876-V884 HydrophobicContact CB-CB 3.83Å; L876-V884 HydrophobicContact CB-CG1 4.5Å; L876-V884 HydrophobicContact CB-CG2 3.83Å; L876-V884 HydrophobicContact CD1-CB 4.21Å; L876-V884 HydrophobicContact CD1-CG1 3.96Å; L876-V884 HydrophobicContact CD1-CG2 4.45Å |
| 877 | Y | 90.7 | Very high | 91.2 | Very high | 32 Ų | 32 | 45.6 Ų | 45.6 | 13% | 0.125 | 25% | 0.254 | C | S | . | . | trans | -72.1 | 140.2 | 171.7 | 173.4 | -119.7 | 0 | 0 | 0 | 110.8 | G853 F856 I859 V873 A874 R882 I883 | G853-Y877 PolarHBondContact O-OH 2.79Å; G853-Y877 VanDerWaalsContact O-OH 3.08Å; F856-Y877 HydrophobicContact CB-CD1 4.13Å; F856-Y877 HydrophobicContact CB-CE1 4.38Å; F856-Y877 HydrophobicContact CD2-CD1 4.09Å; F856-Y877 HydrophobicContact CD2-CG 4.14Å; I859-Y877 HydrophobicContact CD1-CD1 4.34Å; I859-Y877 HydrophobicContact CD1-CD2 3.31Å; I859-Y877 HydrophobicContact CD1-CE2 3.56Å; I859-Y877 HydrophobicContact CD1-CG 3.74Å; I859-Y877 HydrophobicContact CG1-CD2 4.45Å; I859-Y877 HydrophobicContact CG1-CE2 4.34Å; I859-Y877 HydrophobicContact CG2-CE2 4.46Å; V873-Y877 PolarHBondContact O-N 3.45Å; A874-Y877 PolarHBondContact O-N 2.83Å; Y877-R882 WeakPolarHBondContact CA-O 3.39Å; Y877-R882 VanDerWaalsContact CD2-O 3.28Å; Y877-R882 WeakPolarHBondContact CD2-O 3.12Å; Y877-I883 HydrophobicContact CD2-CG1 4.16Å; Y877-I883 HydrophobicContact CE2-CG1 4.2Å | ||
| 878 | V | 90.2 | Very high | 91.5 | Very high | 62 Ų | 62 | 39.9 Ų | 39.9 | 38% | 0.376 | 23% | 0.228 | S | C | . | . | B | Isolated β-bridge | trans | -127.8 | 121.9 | 172 | -169.6 | 0 | 0 | 0 | 0 | 108 | S880 S881 R882 | V878-S880 PolarHBondContact O-N 2.97Å; V878-S881 VanDerWaalsContact CG1-OG 3.31Å; V878-S881 WeakPolarHBondContact CG1-OG 3.29Å; V878-S881 PolarHBondContact O-N 2.83Å; V878-S881 PolarHBondContact O-OG 3.01Å; V878-R882 HydrophobicContact CB-CB 4.11Å; V878-R882 HydrophobicContact CG2-CB 4.19Å; V878-R882 VanDerWaalsContact CG2-NH2 3.33Å; V878-R882 PolarHBondContact N-O 3.24Å; V878-R882 PolarHBondContact O-N 3.41Å; V878-R882 VanDerWaalsContact O-N 3.1Å |
| 879 | T | 85.6 | Confident | 91.4 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -41.2 | 122.9 | -174.5 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | D788 R854 S881 | D788-T879 HydrophobicContact CB-CG2 4.37Å; R854-T879 WeakPolarHBondContact O-CG2 3.45Å; T879-S881 PolarHBondContact O-N 2.87Å; T879-S881 PolarHBondContact O-OG 2.92Å |
| 880 | S | 85.9 | Confident | 90.9 | Very high | 3 Ų | 3 | 41.3 Ų | 41.3 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 5.3 | 177.8 | -99.4 | 0 | 0 | 0 | 0 | 118.6 | G784 I850 N851 L852 G853 V878 | G784-S880 WeakPolarHBondContact CA-OG 3.37Å; I850-S880 CarbonylContact C-O 3.51Å; I850-S880 WeakPolarHBondContact CA-O 3.05Å; N851-S880 WeakPolarHBondContact CA-OG 3.38Å; N851-S880 PolarHBondContact N-O 3.49Å; L852-S880 PolarHBondContact N-O 2.69Å; L852-S880 VanDerWaalsContact N-O 3.16Å; G853-S880 WeakPolarHBondContact O-CA 2.91Å; G853-S880 VanDerWaalsContact O-CB 3.31Å; G853-S880 WeakPolarHBondContact O-CB 3.37Å; G853-S880 PolarHBondContact O-N 2.86Å; G853-S880 PolarHBondContact O-OG 2.92Å; V878-S880 PolarHBondContact O-N 2.97Å |
| 881 | S | 90.4 | Very high | 89.8 | Confident | 45 Ų | 45 | 48.2 Ų | 48.2 | 32% | 0.315 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.5 | -35.4 | -167.7 | 50.2 | 0 | 0 | 0 | 0 | 115.2 | E848 G849 V878 T879 | E848-S881 WeakPolarHBondContact CA-O 3.3Å; G849-S881 PolarHBondContact N-O 2.04Å; G849-S881 WeakPolarHBondContact O-CA 3.41Å; V878-S881 VanDerWaalsContact CG1-OG 3.31Å; V878-S881 WeakPolarHBondContact CG1-OG 3.29Å; V878-S881 PolarHBondContact O-N 2.83Å; V878-S881 PolarHBondContact O-OG 3.01Å; T879-S881 PolarHBondContact O-N 2.87Å; T879-S881 PolarHBondContact O-OG 2.92Å |
| 882 | R | 93.6 | Very high | 88.3 | Confident | 71 Ų | 71 | 51.1 Ų | 51.1 | 27% | 0.268 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 126.2 | -178 | -171.9 | 174.9 | 63.4 | 96.8 | 4.9 | 112.5 | T846 I847 E848 L876 Y877 V878 V884 | T846-R882 HydrophobicContact CG2-CG 4.01Å; I847-R882 CarbonylContact O-C 3.53Å; I847-R882 WeakPolarHBondContact O-CA 3.36Å; E848-R882 HydrophobicContact CG-CB 4.44Å; E848-R882 HydrophobicContact CG-CG 4Å; L876-R882 PolarHBondContact O-NH1 2.91Å; L876-R882 PolarHBondContact O-NH2 3.33Å; Y877-R882 WeakPolarHBondContact CA-O 3.39Å; Y877-R882 VanDerWaalsContact CD2-O 3.28Å; Y877-R882 WeakPolarHBondContact CD2-O 3.12Å; V878-R882 HydrophobicContact CB-CB 4.11Å; V878-R882 HydrophobicContact CG2-CB 4.19Å; V878-R882 VanDerWaalsContact CG2-NH2 3.33Å; V878-R882 PolarHBondContact N-O 3.24Å; V878-R882 PolarHBondContact O-N 3.41Å; V878-R882 VanDerWaalsContact O-N 3.1Å; R882-V884 VanDerWaalsContact NH1-CG2 3.27Å |
| 883 | I | 94.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 130.5 | 170 | -53.1 | 174.2 | 0 | 0 | 0 | 107.9 | I847 L852 I859 V863 P872 Y877 V902 | I847-I883 HydrophobicContact CB-CB 4.41Å; I847-I883 PolarHBondContact N-O 3.21Å; I847-I883 PolarHBondContact O-N 3.05Å; L852-I883 HydrophobicContact CB-CD1 4.08Å; L852-I883 HydrophobicContact CB-CG1 4.23Å; L852-I883 HydrophobicContact CD1-CG1 4.39Å; I859-I883 HydrophobicContact CB-CD1 4.37Å; I859-I883 HydrophobicContact CD1-CD1 4.34Å; I859-I883 HydrophobicContact CD1-CG1 4.07Å; I859-I883 HydrophobicContact CD1-CG2 3.97Å; I859-I883 HydrophobicContact CG2-CD1 4.02Å; V863-I883 HydrophobicContact CG2-CD1 4.3Å; V863-I883 HydrophobicContact CG2-CG2 4.08Å; P872-I883 HydrophobicContact CB-CG2 4Å; P872-I883 HydrophobicContact CG-CG2 4.21Å; Y877-I883 HydrophobicContact CD2-CG1 4.16Å; Y877-I883 HydrophobicContact CE2-CG1 4.2Å; I883-V902 HydrophobicContact CD1-CG1 3.82Å; I883-V902 HydrophobicContact CD1-CG2 4.28Å |
| 884 | V | 94.5 | Very high | 85.7 | Confident | 4 Ų | 4 | 67.5 Ų | 67.5 | 2% | 0.024 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.3 | 165.5 | -177 | 0 | 0 | 0 | 0 | 107.6 | Y844 V845 T846 P872 V873 L876 R882 | Y844-V884 HydrophobicContact CD1-CG1 3.99Å; V845-V884 WeakPolarHBondContact O-CA 2.87Å; T846-V884 HydrophobicContact CG2-CG2 4.15Å; P872-V884 CarbonylContact C-O 3.5Å; P872-V884 WeakPolarHBondContact CA-O 3.32Å; V873-V884 PolarHBondContact N-O 2.81Å; L876-V884 HydrophobicContact CB-CB 3.83Å; L876-V884 HydrophobicContact CB-CG1 4.5Å; L876-V884 HydrophobicContact CB-CG2 3.83Å; L876-V884 HydrophobicContact CD1-CB 4.21Å; L876-V884 HydrophobicContact CD1-CG1 3.96Å; L876-V884 HydrophobicContact CD1-CG2 4.45Å; R882-V884 VanDerWaalsContact NH1-CG2 3.27Å |
| 885 | C | 94.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 152.5 | 179.5 | 70.8 | 0 | 0 | 0 | 0 | 112.2 | Y844 V845 C870 S871 P872 | Y844-C885 CarbonylContact C-O 3.57Å; Y844-C885 WeakPolarHBondContact CA-O 3.47Å; V845-C885 PolarHBondContact N-O 2.89Å; V845-C885 PolarHBondContact O-N 2.88Å; C870-C885 HydrophobicContact CB-CB 3.88Å; C870-C885 WeakPolarHBondContact CB-SG 3.37Å; C870-C885 WeakPolarHBondContact SG-CB 3.45Å; C870-C885 CovalentContact SG-SG 2.04Å; C870-C885 PolarHBondContact SG-SG 2.95Å; S871-C885 CarbonylContact O-C 3.58Å; S871-C885 VanDerWaalsContact O-CA 3.23Å; S871-C885 WeakPolarHBondContact O-CA 3.45Å; P872-C885 HydrophobicContact CG-CB 4.35Å |
| 886 | V | 94.4 | Very high | 84.4 | Confident | 35 Ų | 35 | 60.3 Ų | 60.3 | 21% | 0.212 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 122.4 | 177.9 | -176.2 | 0 | 0 | 0 | 0 | 109.3 | T843 Y844 C870 S871 V873 | T843-V886 WeakPolarHBondContact O-CA 3.18Å; Y844-V886 HydrophobicContact CD1-CG2 3.92Å; Y844-V886 HydrophobicContact CD2-CG2 4.2Å; Y844-V886 HydrophobicContact CE1-CG2 3.67Å; Y844-V886 HydrophobicContact CE2-CG2 3.96Å; Y844-V886 HydrophobicContact CG-CG2 4.17Å; C870-V886 CarbonylContact C-O 3.52Å; C870-V886 WeakPolarHBondContact CA-O 3.46Å; S871-V886 PolarHBondContact N-O 2.77Å; S871-V886 PolarHBondContact O-N 3.46Å; V873-V886 HydrophobicContact CG2-CG2 3.85Å |
| 887 | T | 92.2 | Very high | 84.1 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.018 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 133.8 | 179.8 | 57.5 | 0 | 0 | 0 | 0 | 112.2 | G842 T843 V845 I865 F918 | G842-T887 PolarHBondContact N-O 2.93Å; G842-T887 PolarHBondContact N-OG1 3.29Å; T843-T887 WeakPolarHBondContact CB-OG1 3.4Å; T843-T887 PolarHBondContact N-OG1 3.02Å; T843-T887 PolarHBondContact O-N 2.82Å; V845-T887 HydrophobicContact CG2-CG2 3.76Å; I865-T887 HydrophobicContact CD1-CG2 3.69Å; T887-F918 HydrophobicContact CG2-CE1 4.41Å; T887-F918 HydrophobicContact CG2-CZ 4.19Å |
| 888 | G | 89.2 | Confident | 83.9 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 170.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V868 V869 | V868-G888 VanDerWaalsContact CG1-O 3.31Å; V868-G888 WeakPolarHBondContact CG1-O 3.45Å; V869-G888 PolarHBondContact O-N 2.84Å |
| 889 | P | 86.8 | Confident | 84 | Confident | 91 Ų | 91 | 58 Ų | 58 | 59% | 0.591 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 145.3 | 173.1 | 29.9 | -34.9 | 0 | 0 | 0 | 111.4 | ||
| 890 | A | 80 | Confident | 84.4 | Confident | 16 Ų | 16 | 56.2 Ų | 56.2 | 13% | 0.132 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -79.1 | 136.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | V839 V868 H892 H896 Y920 | V839-A890 HydrophobicContact CB-CB 4.34Å; V839-A890 PolarHBondContact O-N 3.44Å; V868-A890 HydrophobicContact CG2-CB 4.48Å; A890-H892 PolarHBondContact O-N 2.92Å; A890-H896 WeakPolarHBondContact CB-NE2 3.28Å; A890-Y920 HydrophobicContact CB-CD1 4.23Å |
| 891 | N | 69.4 | Low | 84.7 | Confident | 146 Ų | 146 | 57.9 Ų | 57.9 | 78% | 0.781 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -63.7 | -8.6 | -179.2 | -80.3 | -13.7 | 0 | 0 | 0 | 114.9 | ||
| 892 | H | 63.5 | Low | 84.8 | Confident | 129 Ų | 129 | 55.7 Ų | 55.7 | 60% | 0.597 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -128.1 | 130.7 | -179 | -58.2 | -43.7 | 0 | 0 | 0 | 109.8 | A890 K894 | A890-H892 PolarHBondContact O-N 2.92Å; H892-K894 PolarHBondContact O-N 3.01Å |
| 893 | R | 62.6 | Low | 84.7 | Confident | 238 Ų | 238 | 56.6 Ų | 56.6 | 90% | 0.898 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -73.1 | 43.8 | 171.6 | -61.4 | -176.9 | 179.3 | -176.8 | -1.3 | 112 | ||
| 894 | K | 70 | Confident | 84.4 | Confident | 161 Ų | 161 | 57.5 Ų | 57.5 | 70% | 0.7 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -141.2 | 144.2 | -179 | -70.7 | -171 | 176 | -174.3 | 0 | 108.4 | H892 | H892-K894 PolarHBondContact O-N 3.01Š|
| 895 | A | 70.5 | Confident | 84 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | trans | -58 | 139.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y920 | A895-Y920 CarbonylContact C-O 3.56Å; A895-Y920 WeakPolarHBondContact CA-O 3.39Å; A895-Y920 WeakPolarHBondContact CB-O 3.47Å | ||
| 896 | H | 82.5 | Confident | 83.4 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 22% | 0.222 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 171 | 173.9 | 74.6 | 70.8 | 0 | 0 | 0 | 110.4 | A890 Y920 | A890-H896 WeakPolarHBondContact CB-NE2 3.28Å; H896-Y920 AromaticContact CE1-CD2 3.2Å; H896-Y920 WeakPolarHBondContact CE1-CD2 3.16Å; H896-Y920 AromaticContact CE1-CE2 3.73Å; H896-Y920 AromaticContact CE1-CG 3.8Å; H896-Y920 PolarHBondContact N-O 2.69Å; H896-Y920 AromaticContact ND1-CD2 3.69Å; H896-Y920 AromaticContact NE2-CD2 3.88Å; H896-Y920 WeakPolarHBondContact O-CA 3.18Å; H896-Y920 PolarHBondContact O-N 3.19Å; H896-Y920 VanDerWaalsContact O-O 3.07Å |
| 897 | S | 84.8 | Confident | 82.9 | Confident | 56 Ų | 56 | 70.5 Ų | 70.5 | 39% | 0.392 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 157.5 | -178.8 | -50.8 | 0 | 0 | 0 | 0 | 111 | F918 H919 | S897-F918 WeakPolarHBondContact CA-O 3.48Å; S897-H919 WeakPolarHBondContact CB-ND1 3.47Å; S897-H919 PolarHBondContact OG-ND1 2.78Å |
| 898 | G | 86.9 | Confident | 82.6 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 6% | 0.062 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.2 | 165.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | S917 F918 | G898-S917 CarbonylContact O-C 3.52Å; G898-S917 WeakPolarHBondContact O-CA 3.31Å; G898-F918 PolarHBondContact N-O 2.93Å; G898-F918 VanDerWaalsContact N-O 3.1Å; G898-F918 PolarHBondContact O-N 3.09Å |
| 899 | P | 92.2 | Very high | 82.4 | Confident | 47 Ų | 47 | 80.9 Ų | 80.9 | 31% | 0.305 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 152.8 | -177.8 | 29.6 | -35.5 | 0 | 0 | 0 | 112 | N866 V901 I913 | N866-P899 PolarHBondContact N-O 3.32Å; P899-V901 HydrophobicContact CG-CG2 4.38Å; P899-I913 HydrophobicContact CB-CG2 3.86Å; P899-I913 HydrophobicContact CG-CG2 4.34Å |
| 900 | V | 93.5 | Very high | 82.5 | Confident | 0 Ų | 0 | 78.9 Ų | 78.9 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125 | 165.4 | -174.4 | 0 | 0 | 0 | 0 | 107.7 | I829 F832 I847 V863 I865 S914 F918 | I829-V900 HydrophobicContact CD1-CG1 4.45Å; F832-V900 HydrophobicContact CD1-CG2 4.1Å; F832-V900 HydrophobicContact CD2-CG2 4.04Å; F832-V900 HydrophobicContact CE1-CG2 4.05Å; F832-V900 HydrophobicContact CE2-CG2 3.97Å; F832-V900 HydrophobicContact CG-CG2 4.1Å; F832-V900 HydrophobicContact CZ-CG2 4Å; I847-V900 HydrophobicContact CD1-CG1 3.54Å; I847-V900 HydrophobicContact CG1-CG1 4.15Å; V863-V900 HydrophobicContact CG1-CG1 4.27Å; I865-V900 HydrophobicContact CD1-CG2 4.3Å; I865-V900 HydrophobicContact CG1-CG2 4.26Å; V900-S914 PolarHBondContact N-OG 3.34Å; V900-S914 PolarHBondContact O-N 2.67Å; V900-S914 PolarHBondContact O-OG 3.08Å; V900-F918 HydrophobicContact CG2-CB 4.13Å |
| 901 | V | 93.3 | Very high | 83 | Confident | 37 Ų | 37 | 79.5 Ų | 79.5 | 22% | 0.224 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 124.4 | -178 | -177.3 | 0 | 0 | 0 | 0 | 108.9 | V863 R864 P899 V911 A912 | V863-V901 WeakPolarHBondContact CA-O 3.11Å; R864-V901 PolarHBondContact N-O 3.43Å; R864-V901 PolarHBondContact O-N 2.9Å; P899-V901 HydrophobicContact CG-CG2 4.38Å; V901-V911 HydrophobicContact CG1-CG1 3.89Å; V901-A912 WeakPolarHBondContact CA-O 3.34Å |
| 902 | V | 93.1 | Very high | 84.1 | Confident | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 109.6 | 172.4 | 179.7 | 0 | 0 | 0 | 0 | 107.8 | I829 I847 V863 I883 I904 V911 A912 | I829-V902 HydrophobicContact CD1-CG2 3.98Å; I829-V902 HydrophobicContact CG1-CG2 4.36Å; I847-V902 HydrophobicContact CD1-CG2 4.18Å; I847-V902 HydrophobicContact CG2-CG2 4.43Å; V863-V902 HydrophobicContact CG1-CG2 4.32Å; V863-V902 HydrophobicContact CG2-CG2 4.21Å; I883-V902 HydrophobicContact CD1-CG1 3.82Å; I883-V902 HydrophobicContact CD1-CG2 4.28Å; V902-I904 HydrophobicContact CG1-CG1 4.36Å; V902-V911 WeakPolarHBondContact O-CA 3.33Å; V902-A912 HydrophobicContact CB-CB 4.35Å; V902-A912 PolarHBondContact N-O 2.86Å; V902-A912 PolarHBondContact O-N 3.08Å |
| 903 | K | 91.1 | Very high | 85.4 | Confident | 90 Ų | 90 | 71 Ų | 71 | 39% | 0.391 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 93.3 | -173.8 | -169.1 | -176.7 | -160.4 | -163 | 0 | 110.6 | A862 K905 D906 V911 | A862-K903 WeakPolarHBondContact CA-O 3.49Å; A862-K903 VanDerWaalsContact CB-O 3.22Å; A862-K903 WeakPolarHBondContact CB-O 3.49Å; A862-K903 PolarHBondContact O-N 2.98Å; K903-K905 WeakPolarHBondContact CG-O 3.41Å; K903-D906 WeakPolarHBondContact CE-OD1 3.31Å; K903-D906 IonicContact NZ-OD1 3.92Å; K903-D906 PolarHBondContact NZ-OD1 3.38Å; K903-V911 HydrophobicContact CG-CG2 4.08Å |
| 904 | I | 88.5 | Confident | 86.9 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.092 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -75.8 | -31.9 | -177.9 | -55.7 | 170.3 | 0 | 0 | 0 | 110.9 | I823 P827 N851 E858 V902 Y910 | I823-I904 HydrophobicContact CG2-CG2 4.07Å; P827-I904 HydrophobicContact CB-CD1 3.87Å; P827-I904 HydrophobicContact CG-CD1 4.12Å; N851-I904 WeakPolarHBondContact O-CD1 3.43Å; E858-I904 HydrophobicContact CB-CG2 4.37Å; V902-I904 HydrophobicContact CG1-CG1 4.36Å; I904-Y910 PolarHBondContact N-O 3.4Å |
| 905 | K | 85.3 | Confident | 87.8 | Confident | 97 Ų | 97 | 59.8 Ų | 59.8 | 42% | 0.422 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -143.8 | 163.5 | 172.3 | -85.7 | -179.5 | 169 | 165.6 | 0 | 111.5 | I823 K903 V907 Y910 | I823-K905 HydrophobicContact CD1-CD 4.08Å; I823-K905 VanDerWaalsContact CD1-CE 3.45Å; I823-K905 HydrophobicContact CD1-CG 4.48Å; K903-K905 WeakPolarHBondContact CG-O 3.41Å; K905-V907 PolarHBondContact O-N 2.87Å; K905-Y910 HydrophobicContact CB-CD2 4.1Å; K905-Y910 HydrophobicContact CB-CG 4.06Å; K905-Y910 HydrophobicContact CD-CD2 4.21Å; K905-Y910 HydrophobicContact CD-CE2 4.35Å; K905-Y910 HydrophobicContact CD-CG 4.42Å |
| 906 | D | 81.3 | Confident | 88.7 | Confident | 137 Ų | 137 | 62.6 Ų | 62.6 | 73% | 0.733 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -74.4 | 39.8 | 173 | -68.2 | -34.8 | 0 | 0 | 0 | 113.9 | K903 | K903-D906 WeakPolarHBondContact CE-OD1 3.31Å; K903-D906 IonicContact NZ-OD1 3.92Å; K903-D906 PolarHBondContact NZ-OD1 3.38Å |
| 907 | V | 84.6 | Confident | 89.1 | Confident | 79 Ų | 79 | 62.5 Ų | 62.5 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -144 | 136.6 | 178.6 | -179.9 | 0 | 0 | 0 | 0 | 109 | K905 D909 Y910 | K905-V907 PolarHBondContact O-N 2.87Å; V907-D909 VanDerWaalsContact C-N 3.29Å; V907-D909 PolarHBondContact O-N 3.31Å; V907-D909 VanDerWaalsContact O-N 3.16Å; V907-Y910 HydrophobicContact CB-CD2 4.17Å; V907-Y910 PolarHBondContact O-N 3.47Å |
| 908 | M | 84.5 | Confident | 89.5 | Confident | 146 Ų | 146 | 59.8 Ų | 59.8 | 72% | 0.719 | 31% | 0.313 | S | S | * | . | G | 310 helix | trans | -53.5 | -37.9 | -171.6 | -71.1 | -60.3 | -65.9 | 0 | 0 | 114.6 | Y910 V911 | M908-Y910 PolarHBondContact O-N 3.48Å; M908-V911 PolarHBondContact O-N 2.83Å |
| 909 | D | 85.2 | Confident | 89.6 | Confident | 94 Ų | 94 | 63.3 Ų | 63.3 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | G | 310 helix | trans | -59.7 | -9 | 177.6 | -56.2 | -5.4 | 0 | 0 | 0 | 114.1 | N826 P827 V907 | N826-D909 PolarHBondContact N-O 3.12Å; P827-D909 VanDerWaalsContact CD-O 3.27Å; P827-D909 WeakPolarHBondContact CD-O 3.4Å; V907-D909 VanDerWaalsContact C-N 3.29Å; V907-D909 PolarHBondContact O-N 3.31Å; V907-D909 VanDerWaalsContact O-N 3.16Å |
| 910 | Y | 90 | Very high | 89.5 | Confident | 49 Ų | 49 | 61.1 Ų | 61.1 | 19% | 0.192 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -124.4 | 21.7 | -179.1 | -59.8 | -78.7 | 0 | 0 | 0 | 112.8 | I823 P825 P827 I904 K905 V907 M908 | I823-Y910 HydrophobicContact CB-CD1 4.43Å; I823-Y910 HydrophobicContact CB-CE1 3.86Å; I823-Y910 HydrophobicContact CG2-CD1 3.77Å; I823-Y910 HydrophobicContact CG2-CE1 3.66Å; P825-Y910 HydrophobicContact CB-CE1 4.35Å; P827-Y910 VanDerWaalsContact CG-C 3.47Å; I904-Y910 PolarHBondContact N-O 3.4Å; K905-Y910 HydrophobicContact CB-CD2 4.1Å; K905-Y910 HydrophobicContact CB-CG 4.06Å; K905-Y910 HydrophobicContact CD-CD2 4.21Å; K905-Y910 HydrophobicContact CD-CE2 4.35Å; K905-Y910 HydrophobicContact CD-CG 4.42Å; V907-Y910 HydrophobicContact CB-CD2 4.17Å; V907-Y910 PolarHBondContact O-N 3.47Å; M908-Y910 PolarHBondContact O-N 3.48Å |
| 911 | V | 90.7 | Very high | 89.4 | Confident | 28 Ų | 28 | 61.5 Ų | 61.5 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.3 | 177 | -170.7 | 0 | 0 | 0 | 0 | 110.5 | V901 V902 K903 M908 I913 | V901-V911 HydrophobicContact CG1-CG1 3.89Å; V902-V911 WeakPolarHBondContact O-CA 3.33Å; K903-V911 HydrophobicContact CG-CG2 4.08Å; M908-V911 PolarHBondContact O-N 2.83Å; V911-I913 HydrophobicContact CG1-CG1 4.19Å |
| 912 | A | 91.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 133.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | P827 I829 V901 V902 | P827-A912 HydrophobicContact CB-CB 4.05Å; P827-A912 HydrophobicContact CG-CB 4.2Å; P827-A912 WeakPolarHBondContact O-CB 3.23Å; I829-A912 HydrophobicContact CD1-CB 4.14Å; I829-A912 HydrophobicContact CG1-CB 3.85Å; V901-A912 WeakPolarHBondContact CA-O 3.34Å; V902-A912 HydrophobicContact CB-CB 4.35Å; V902-A912 PolarHBondContact N-O 2.86Å; V902-A912 PolarHBondContact O-N 3.08Å |
| 913 | I | 92.6 | Very high | 89.1 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 49% | 0.487 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 137.6 | 177.2 | -54.5 | 177.6 | 0 | 0 | 0 | 107.1 | P899 V911 | P899-I913 HydrophobicContact CB-CG2 3.86Å; P899-I913 HydrophobicContact CG-CG2 4.34Å; V911-I913 HydrophobicContact CG1-CG1 4.19Å |
| 914 | S | 92.4 | Very high | 89 | Confident | 9 Ų | 9 | 63.2 Ų | 63.2 | 6% | 0.063 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 139 | 178.2 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | V900 Q916 | V900-S914 PolarHBondContact N-OG 3.34Å; V900-S914 PolarHBondContact O-N 2.67Å; V900-S914 PolarHBondContact O-OG 3.08Å; S914-Q916 PolarHBondContact O-N 3.43Å; S914-Q916 PolarHBondContact OG-O 3.38Å |
| 915 | D | 89.6 | Confident | 89.1 | Confident | 153 Ų | 153 | 63.4 Ų | 63.4 | 82% | 0.818 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.1 | -20.9 | 176.6 | -61.5 | -28.8 | 0 | 0 | 0 | 113.1 | ||
| 916 | Q | 88.8 | Confident | 89.4 | Confident | 123 Ų | 123 | 64 Ų | 64 | 58% | 0.575 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111 | 152.4 | 176.3 | -63.3 | 179 | -3.8 | 0 | 0 | 110.7 | F832 S914 | F832-Q916 HydrophobicContact CE1-CB 3.88Å; F832-Q916 WeakPolarHBondContact CE1-O 3.45Å; F832-Q916 HydrophobicContact CZ-CB 4.1Å; S914-Q916 PolarHBondContact O-N 3.43Å; S914-Q916 PolarHBondContact OG-O 3.38Å |
| 917 | S | 91.4 | Very high | 90 | Very high | 45 Ų | 45 | 63 Ų | 63 | 32% | 0.315 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 145.1 | 171.5 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | G898 H919 | G898-S917 CarbonylContact O-C 3.52Å; G898-S917 WeakPolarHBondContact O-CA 3.31Å; S917-H919 PolarHBondContact O-CD2 3.09Å; S917-H919 PolarHBondContact O-NE2 2.8Å |
| 918 | F | 92.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 134.4 | 163.2 | -178.9 | -87.7 | 0 | 0 | 0 | 109 | F832 P834 T835 T843 V845 I865 T887 S897 G898 V900 Y920 | F832-F918 HydrophobicContact CE2-CB 3.96Å; F832-F918 HydrophobicContact CE2-CD2 4.06Å; F832-F918 HydrophobicContact CZ-CB 4.33Å; P834-F918 WeakPolarHBondContact O-CD2 3.39Å; T835-F918 WeakPolarHBondContact O-CA 3.47Å; T843-F918 HydrophobicContact CG2-CE2 4.16Å; T843-F918 HydrophobicContact CG2-CZ 4.1Å; V845-F918 HydrophobicContact CG2-CD2 4.05Å; V845-F918 HydrophobicContact CG2-CE2 3.56Å; V845-F918 HydrophobicContact CG2-CZ 4.18Å; I865-F918 HydrophobicContact CD1-CB 4.17Å; I865-F918 HydrophobicContact CD1-CD1 3.94Å; I865-F918 HydrophobicContact CD1-CD2 4.22Å; I865-F918 HydrophobicContact CD1-CE1 4.35Å; I865-F918 HydrophobicContact CD1-CG 3.86Å; I865-F918 HydrophobicContact CG2-CB 3.75Å; I865-F918 HydrophobicContact CG2-CD1 3.96Å; I865-F918 HydrophobicContact CG2-CG 4.16Å; T887-F918 HydrophobicContact CG2-CE1 4.41Å; T887-F918 HydrophobicContact CG2-CZ 4.19Å; S897-F918 WeakPolarHBondContact CA-O 3.48Å; G898-F918 PolarHBondContact N-O 2.93Å; G898-F918 VanDerWaalsContact N-O 3.1Å; G898-F918 PolarHBondContact O-N 3.09Å; V900-F918 HydrophobicContact CG2-CB 4.13Å; F918-Y920 AromaticContact CD1-CD2 3.78Å; F918-Y920 HydrophobicContact CD1-CD2 3.78Å; F918-Y920 AromaticContact CD1-CE2 3.69Å; F918-Y920 HydrophobicContact CD1-CE2 3.69Å; F918-Y920 HydrophobicContact CD1-CG 4.38Å; F918-Y920 HydrophobicContact CE1-CD1 4.13Å; F918-Y920 AromaticContact CE1-CD2 3.91Å; F918-Y920 HydrophobicContact CE1-CD2 3.91Å; F918-Y920 HydrophobicContact CE1-CE1 4.02Å; F918-Y920 AromaticContact CE1-CE2 3.79Å; F918-Y920 HydrophobicContact CE1-CE2 3.79Å; F918-Y920 HydrophobicContact CE1-CG 4.1Å; F918-Y920 AromaticContact CE1-CZ 3.85Å |
| 919 | H | 90.7 | Very high | 90.7 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 37% | 0.37 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.7 | -175.9 | -59.1 | -84.7 | 0 | 0 | 0 | 111 | T835 S836 G837 S897 S917 V921 | T835-H919 PolarHBondContact O-N 2.92Å; S836-H919 CarbonylContact C-O 3.5Å; S836-H919 WeakPolarHBondContact CA-O 3.36Å; S836-H919 WeakPolarHBondContact CB-O 3.31Å; G837-H919 PolarHBondContact N-O 3.18Å; S897-H919 WeakPolarHBondContact CB-ND1 3.47Å; S897-H919 PolarHBondContact OG-ND1 2.78Å; S917-H919 PolarHBondContact O-CD2 3.09Å; S917-H919 PolarHBondContact O-NE2 2.8Å; H919-V921 HydrophobicContact CB-CG1 4.13Å; H919-V921 PolarHBondContact O-N 2.69Å |
| 920 | Y | 90.3 | Very high | 91 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.7 | 166.2 | -75.4 | -88.9 | 0 | 0 | 0 | 108.8 | G837 P838 I865 V868 A890 A895 H896 F918 | G837-Y920 CarbonylContact O-C 3.51Å; G837-Y920 WeakPolarHBondContact O-CA 3.39Å; P838-Y920 WeakPolarHBondContact O-CD1 3.46Å; I865-Y920 HydrophobicContact CB-CE2 4.19Å; I865-Y920 HydrophobicContact CG2-CE2 3.77Å; V868-Y920 HydrophobicContact CB-CE2 4.46Å; V868-Y920 WeakPolarHBondContact CB-OH 3.48Å; V868-Y920 VanDerWaalsContact CG1-OH 3.26Å; V868-Y920 WeakPolarHBondContact CG1-OH 3.05Å; V868-Y920 HydrophobicContact CG2-CE2 4.25Å; A890-Y920 HydrophobicContact CB-CD1 4.23Å; A895-Y920 CarbonylContact C-O 3.56Å; A895-Y920 WeakPolarHBondContact CA-O 3.39Å; A895-Y920 WeakPolarHBondContact CB-O 3.47Å; H896-Y920 AromaticContact CE1-CD2 3.2Å; H896-Y920 WeakPolarHBondContact CE1-CD2 3.16Å; H896-Y920 AromaticContact CE1-CE2 3.73Å; H896-Y920 AromaticContact CE1-CG 3.8Å; H896-Y920 PolarHBondContact N-O 2.69Å; H896-Y920 AromaticContact ND1-CD2 3.69Å; H896-Y920 AromaticContact NE2-CD2 3.88Å; H896-Y920 WeakPolarHBondContact O-CA 3.18Å; H896-Y920 PolarHBondContact O-N 3.19Å; H896-Y920 VanDerWaalsContact O-O 3.07Å; F918-Y920 AromaticContact CD1-CD2 3.78Å; F918-Y920 HydrophobicContact CD1-CD2 3.78Å; F918-Y920 AromaticContact CD1-CE2 3.69Å; F918-Y920 HydrophobicContact CD1-CE2 3.69Å; F918-Y920 HydrophobicContact CD1-CG 4.38Å; F918-Y920 HydrophobicContact CE1-CD1 4.13Å; F918-Y920 AromaticContact CE1-CD2 3.91Å; F918-Y920 HydrophobicContact CE1-CD2 3.91Å; F918-Y920 HydrophobicContact CE1-CE1 4.02Å; F918-Y920 AromaticContact CE1-CE2 3.79Å; F918-Y920 HydrophobicContact CE1-CE2 3.79Å; F918-Y920 HydrophobicContact CE1-CG 4.1Å; F918-Y920 AromaticContact CE1-CZ 3.85Å |
| 921 | V | 90.2 | Very high | 91 | Very high | 9 Ų | 9 | 58.7 Ų | 58.7 | 6% | 0.055 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 163.5 | -171.5 | -69.2 | 0 | 0 | 0 | 0 | 110.5 | G837 P838 V839 H919 H947 A950 | G837-V921 WeakPolarHBondContact O-CG2 3.46Å; G837-V921 PolarHBondContact O-N 2.76Å; P838-V921 WeakPolarHBondContact CA-O 3.46Å; V839-V921 PolarHBondContact N-O 2.97Å; V839-V921 VanDerWaalsContact N-O 3.16Å; H919-V921 HydrophobicContact CB-CG1 4.13Å; H919-V921 PolarHBondContact O-N 2.69Å; V921-H947 HydrophobicContact CB-CB 3.86Å; V921-H947 HydrophobicContact CG1-CB 4.42Å; V921-H947 HydrophobicContact CG2-CB 3.81Å; V921-A950 HydrophobicContact CG2-CB 3.56Å |
| 922 | I | 89.5 | Confident | 91.1 | Very high | 52 Ų | 52 | 58.4 Ų | 58.4 | 27% | 0.267 | 30% | 0.3 | S | S | . | . | trans | -110.9 | 107.9 | 172 | -60.7 | 173.9 | 0 | 0 | 0 | 105.9 | V839 E924 | V839-I922 HydrophobicContact CG1-CG1 4Å; V839-I922 HydrophobicContact CG2-CG1 3.98Å; I922-E924 HydrophobicContact CG2-CG 4.46Å; I922-E924 PolarHBondContact O-N 2.87Å | ||
| 923 | P | 90.3 | Very high | 91 | Very high | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | trans | -66.5 | 128.7 | 176.2 | -22.3 | 35 | 0 | 0 | 0 | 110.4 | E946 A950 F993 K998 | P923-E946 WeakPolarHBondContact CA-O 3.49Å; P923-A950 HydrophobicContact CG-CB 3.84Å; P923-F993 HydrophobicContact CB-CD1 4.31Å; P923-F993 HydrophobicContact CB-CD2 3.76Å; P923-F993 HydrophobicContact CB-CE1 4.09Å; P923-F993 HydrophobicContact CB-CE2 3.49Å; P923-F993 VanDerWaalsContact CB-CE2 3.49Å; P923-F993 HydrophobicContact CB-CG 4.16Å; P923-F993 HydrophobicContact CB-CZ 3.67Å; P923-F993 HydrophobicContact CG-CB 4.37Å; P923-F993 HydrophobicContact CG-CD1 4.22Å; P923-F993 HydrophobicContact CG-CD2 3.88Å; P923-F993 HydrophobicContact CG-CE1 4.47Å; P923-F993 HydrophobicContact CG-CE2 4.15Å; P923-F993 HydrophobicContact CG-CG 3.91Å; P923-F993 HydrophobicContact CG-CZ 4.43Å; P923-K998 WeakPolarHBondContact O-CE 3.39Å | ||
| 924 | E | 90 | Very high | 91 | Very high | 109 Ų | 109 | 53.8 Ų | 53.8 | 51% | 0.509 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 132 | 179.1 | -67.6 | -163.6 | 177.7 | 0 | 0 | 110.9 | I922 G945 E946 | I922-E924 HydrophobicContact CG2-CG 4.46Å; I922-E924 PolarHBondContact O-N 2.87Å; E924-G945 CarbonylContact O-C 3.51Å; E924-G945 WeakPolarHBondContact O-CA 3.39Å; E924-E946 PolarHBondContact N-O 2.85Å; E924-E946 PolarHBondContact O-N 2.82Å |
| 925 | I | 90.9 | Very high | 90.9 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 11% | 0.113 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.3 | 176.1 | -55.1 | 164.6 | 0 | 0 | 0 | 107.6 | I943 L948 I991 K998 F1000 | I925-I943 HydrophobicContact CG2-CG2 3.78Å; I925-L948 HydrophobicContact CG1-CD2 4.39Å; I925-I991 HydrophobicContact CD1-CB 4.37Å; I925-I991 HydrophobicContact CD1-CD1 3.6Å; I925-I991 HydrophobicContact CD1-CG1 3.77Å; I925-I991 HydrophobicContact CG1-CD1 3.99Å; I925-K998 HydrophobicContact CD1-CB 4.18Å; I925-F1000 HydrophobicContact CB-CB 4.02Å; I925-F1000 HydrophobicContact CB-CD2 3.84Å; I925-F1000 HydrophobicContact CB-CG 4.13Å; I925-F1000 HydrophobicContact CD1-CB 3.95Å; I925-F1000 HydrophobicContact CG2-CB 3.74Å; I925-F1000 HydrophobicContact CG2-CD1 4.24Å; I925-F1000 HydrophobicContact CG2-CD2 3.64Å; I925-F1000 HydrophobicContact CG2-CE2 4.27Å; I925-F1000 HydrophobicContact CG2-CG 3.61Å; I925-F1000 VanDerWaalsContact O-CD2 3.32Å; I925-F1000 WeakPolarHBondContact O-CD2 3.2Å; I925-F1000 VanDerWaalsContact O-CE2 3.32Å; I925-F1000 WeakPolarHBondContact O-CE2 3.48Å |
| 926 | K | 91.2 | Very high | 90.9 | Very high | 111 Ų | 111 | 50 Ų | 50 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | -47.3 | -178.7 | -73.3 | 178.5 | 178.4 | 176 | 0 | 112.4 | L944 E946 F1000 | K926-L944 PolarHBondContact N-O 3.05Å; K926-E946 WeakPolarHBondContact CE-OE1 3.3Å; K926-E946 IonicContact NZ-OE1 2.69Å; K926-E946 PolarHBondContact NZ-OE1 2.91Å; K926-F1000 VanDerWaalsContact O-CE2 3.25Å; K926-F1000 WeakPolarHBondContact O-CE2 3.47Å; K926-F1000 WeakPolarHBondContact O-CZ 3.27Å |
| 927 | E | 92.8 | Very high | 91 | Very high | 116 Ų | 116 | 44.1 Ų | 44.1 | 54% | 0.542 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 174.2 | -178.2 | 64 | -175.1 | 173.5 | 0 | 0 | 111.5 | L944 | E927-L944 HydrophobicContact CG-CB 3.88Å; E927-L944 HydrophobicContact CG-CD1 4.11Å; E927-L944 HydrophobicContact CG-CG 4.5Å; E927-L944 PolarHBondContact N-O 3.45Å; E927-L944 PolarHBondContact O-N 2.63Å; E927-L944 WeakPolarHBondContact OE1-CD1 3.38Å |
| 928 | F | 92.3 | Very high | 90.9 | Very high | 19 Ų | 19 | 42.4 Ų | 42.4 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 155.8 | 171 | 66 | -92 | 0 | 0 | 0 | 111.9 | L941 T942 I943 I989 F1000 S1003 F1005 | F928-L941 HydrophobicContact CD2-CD2 4.05Å; F928-T942 CarbonylContact C-O 3.51Å; F928-T942 WeakPolarHBondContact CA-O 3.37Å; F928-I943 HydrophobicContact CB-CG1 4.24Å; F928-I989 HydrophobicContact CB-CD1 3.65Å; F928-I989 HydrophobicContact CD1-CD1 3.41Å; F928-I989 VanDerWaalsContact CD1-CD1 3.41Å; F928-I989 HydrophobicContact CD1-CG1 3.98Å; F928-I989 HydrophobicContact CD2-CD1 3.82Å; F928-I989 HydrophobicContact CE1-CD1 3.93Å; F928-I989 HydrophobicContact CE1-CG1 4.02Å; F928-I989 HydrophobicContact CE2-CD1 4.3Å; F928-I989 HydrophobicContact CG-CD1 3.34Å; F928-I989 HydrophobicContact CG-CG1 4.31Å; F928-I989 HydrophobicContact CZ-CD1 4.36Å; F928-I989 HydrophobicContact CZ-CG1 4.41Å; F928-F1000 AromaticContact CD1-CD1 3.82Å; F928-F1000 HydrophobicContact CD1-CD1 3.82Å; F928-F1000 AromaticContact CD1-CE1 3.84Å; F928-F1000 HydrophobicContact CD1-CE1 3.84Å; F928-F1000 AromaticContact CE1-CD1 3.8Å; F928-F1000 HydrophobicContact CE1-CD1 3.8Å; F928-F1000 AromaticContact CE1-CE1 3.89Å; F928-F1000 HydrophobicContact CE1-CE1 3.89Å; F928-S1003 WeakPolarHBondContact CE1-OG 3.06Å; F928-S1003 WeakPolarHBondContact CZ-OG 3.47Å; F928-F1005 HydrophobicContact CE2-CB 3.93Å; F928-F1005 HydrophobicContact CE2-CD2 4.46Å; F928-F1005 HydrophobicContact CZ-CB 4.26Å |
| 929 | Q | 91.4 | Very high | 90.8 | Very high | 149 Ų | 149 | 42.4 Ų | 42.4 | 70% | 0.696 | 22% | 0.217 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 142.7 | 178 | -168.1 | -178.5 | 20.3 | 0 | 0 | 110.8 | T942 | Q929-T942 PolarHBondContact N-O 3.31Å; Q929-T942 PolarHBondContact O-N 3.48Å |
| 930 | P | 92.3 | Very high | 91 | Very high | 31 Ų | 31 | 40 Ų | 40 | 20% | 0.201 | 21% | 0.207 | C | C | . | . | cis | -74.4 | 170.3 | -7.3 | 32.7 | -37.6 | 0 | 0 | 0 | 113.6 | T939 L941 | P930-T939 HydrophobicContact CG-CG2 3.6Å; P930-L941 WeakPolarHBondContact O-CD2 3.47Å | ||
| 931 | S | 90.9 | Very high | 91.1 | Very high | 77 Ų | 77 | 40 Ų | 40 | 54% | 0.538 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -88.1 | -8.6 | 178.5 | 54 | 0 | 0 | 0 | 0 | 114.8 | F1005 T1006 | S931-F1005 VanDerWaalsContact O-CA 3.31Å; S931-F1005 WeakPolarHBondContact O-CA 3.35Å; S931-T1006 PolarHBondContact O-N 2.96Å |
| 932 | S | 91.6 | Very high | 91.3 | Very high | 23 Ų | 23 | 41.2 Ų | 41.2 | 16% | 0.161 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 172.4 | 173.7 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | F1005 T1006 E1008 | S932-F1005 WeakPolarHBondContact O-CE2 3.17Å; S932-T1006 VanDerWaalsContact CA-O 3.22Å; S932-T1006 WeakPolarHBondContact CA-O 3.35Å; S932-T1006 WeakPolarHBondContact CB-O 3.28Å; S932-E1008 WeakPolarHBondContact CB-OE1 3.35Å; S932-E1008 PolarHBondContact OG-OE1 3.25Å |
| 933 | G | 90.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -178.1 | 175.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1006 Y1007 E1008 | G933-T1006 PolarHBondContact N-O 3.11Å; G933-Y1007 WeakPolarHBondContact O-CA 3.28Å; G933-E1008 PolarHBondContact O-N 2.83Å |
| 934 | P | 92.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 145.6 | -177.5 | 22.6 | -34.8 | 0 | 0 | 0 | 114.3 | S936 G937 E1008 D1010 L1038 N1097 V1099 | P934-S936 PolarHBondContact O-N 3.39Å; P934-G937 PolarHBondContact O-N 3.27Å; P934-E1008 CarbonylContact C-O 3.59Å; P934-D1010 VanDerWaalsContact CB-OD1 3.25Å; P934-D1010 WeakPolarHBondContact CB-OD1 3.35Å; P934-L1038 WeakPolarHBondContact CD-O 3.03Å; P934-N1097 HydrophobicContact CG-CB 4.03Å; P934-V1099 HydrophobicContact CB-CG2 3.85Å; P934-V1099 HydrophobicContact CG-CG2 4.22Å |
| 935 | Q | 90.6 | Very high | 91.7 | Very high | 60 Ų | 60 | 36.6 Ų | 36.6 | 28% | 0.28 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.8 | 172.9 | 62.1 | 171 | 6.3 | 0 | 0 | 112.7 | G937 P979 S980 E1008 D1010 | Q935-G937 PolarHBondContact O-N 2.77Å; Q935-P979 CarbonylContact O-C 3.55Å; Q935-P979 VanDerWaalsContact O-CA 3.29Å; Q935-P979 WeakPolarHBondContact O-CA 2.99Å; Q935-S980 PolarHBondContact O-N 2.92Å; Q935-E1008 WeakPolarHBondContact CB-O 3.17Å; Q935-E1008 PolarHBondContact N-O 2.92Å; Q935-D1010 HydrophobicContact CG-CB 4.35Å; Q935-D1010 WeakPolarHBondContact CG-OD1 3.31Å; Q935-D1010 WeakPolarHBondContact CG-OD2 3.37Å; Q935-D1010 PolarHBondContact N-OD1 3.43Å; Q935-D1010 PolarHBondContact NE2-OD2 2.97Å |
| 936 | S | 89.2 | Confident | 91.7 | Very high | 23 Ų | 23 | 39.8 Ų | 39.8 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -12.4 | 175 | -70.6 | 0 | 0 | 0 | 0 | 113.2 | P934 D1010 P1100 | P934-S936 PolarHBondContact O-N 3.39Å; S936-D1010 VanDerWaalsContact CB-OD1 3.25Å; S936-D1010 WeakPolarHBondContact CB-OD1 3.38Å; S936-D1010 PolarHBondContact N-OD1 2.8Å; S936-D1010 VanDerWaalsContact OG-CG 3.23Å; S936-D1010 PolarHBondContact OG-OD1 2.88Å; S936-D1010 VanDerWaalsContact OG-OD1 3.07Å; S936-D1010 PolarHBondContact OG-OD2 3.01Å; S936-P1100 VanDerWaalsContact OG-CD 3.32Å; S936-P1100 WeakPolarHBondContact OG-CD 3.35Å |
| 937 | G | 90.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | trans | 79.5 | -153 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P934 Q935 T939 N1097 D1098 | P934-G937 PolarHBondContact O-N 3.27Å; Q935-G937 PolarHBondContact O-N 2.77Å; G937-T939 VanDerWaalsContact C-N 3.28Å; G937-T939 PolarHBondContact O-N 3.05Å; G937-N1097 VanDerWaalsContact O-CB 3.32Å; G937-N1097 WeakPolarHBondContact O-CB 3.35Å; G937-D1098 PolarHBondContact O-N 2.99Å | ||
| 938 | G | 89.2 | Confident | 91.7 | Very high | 8 Ų | 8 | 31.9 Ų | 31.9 | 8% | 0.082 | 18% | 0.175 | C | C | . | . | trans | 82.8 | -2.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | T940 T977 D1098 | G938-T940 PolarHBondContact O-N 3.2Å; G938-T977 PolarHBondContact N-O 3.1Å; G938-T977 PolarHBondContact N-OG1 2.76Å; G938-D1098 WeakPolarHBondContact CA-OD2 3.45Å; G938-D1098 PolarHBondContact N-OD2 2.84Å | ||
| 939 | T | 91.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | trans | -69.4 | 128.6 | 178 | -49.7 | 0 | 0 | 0 | 0 | 110.2 | P930 G937 L941 R976 T977 F1005 N1097 | P930-T939 HydrophobicContact CG-CG2 3.6Å; G937-T939 VanDerWaalsContact C-N 3.28Å; G937-T939 PolarHBondContact O-N 3.05Å; T939-L941 PolarHBondContact O-N 3.06Å; T939-R976 WeakPolarHBondContact O-CA 3.29Å; T939-T977 WeakPolarHBondContact CB-OG1 3.32Å; T939-T977 PolarHBondContact N-OG1 2.8Å; T939-T977 VanDerWaalsContact N-OG1 3.11Å; T939-T977 PolarHBondContact O-N 3.34Å; T939-F1005 HydrophobicContact CG2-CE2 4.32Å; T939-F1005 HydrophobicContact CG2-CZ 4.43Å; T939-N1097 WeakPolarHBondContact CA-ND2 3.45Å; T939-N1097 PolarHBondContact OG1-ND2 3Å; T939-N1097 VanDerWaalsContact OG1-ND2 3.14Å | ||
| 940 | T | 93.5 | Very high | 91.5 | Very high | 29 Ų | 29 | 25.9 Ų | 25.9 | 18% | 0.178 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 95.4 | 174.2 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | G938 I966 R974 C975 Q1040 | G938-T940 PolarHBondContact O-N 3.2Å; T940-I966 HydrophobicContact CG2-CD1 3.98Å; T940-R974 HydrophobicContact CG2-CB 4.42Å; T940-C975 CarbonylContact C-O 3.36Å; T940-C975 WeakPolarHBondContact CA-O 3.29Å; T940-Q1040 PolarHBondContact O-NE2 2.95Å; T940-Q1040 PolarHBondContact O-OE1 2.82Å |
| 941 | L | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 132.5 | 170.4 | -77.9 | 173.4 | 0 | 0 | 0 | 110.4 | F928 P930 T939 V958 R974 C975 T977 F1005 | F928-L941 HydrophobicContact CD2-CD2 4.05Å; P930-L941 WeakPolarHBondContact O-CD2 3.47Å; T939-L941 PolarHBondContact O-N 3.06Å; L941-V958 HydrophobicContact CD1-CG2 3.71Å; L941-R974 CarbonylContact O-C 3.43Å; L941-R974 VanDerWaalsContact O-CA 3.24Å; L941-R974 WeakPolarHBondContact O-CA 3.39Å; L941-C975 PolarHBondContact N-O 3.43Å; L941-C975 PolarHBondContact O-N 3.41Å; L941-T977 HydrophobicContact CD1-CG2 3.52Å; L941-T977 HydrophobicContact CG-CG2 4.02Å; L941-F1005 HydrophobicContact CD1-CD2 4.32Å; L941-F1005 HydrophobicContact CD2-CD2 3.68Å; L941-F1005 HydrophobicContact CD2-CE2 3.82Å; L941-F1005 HydrophobicContact CG-CD2 4.42Å; L941-F1005 HydrophobicContact CG-CE2 4.34Å |
| 942 | T | 94.1 | Very high | 91.2 | Very high | 36 Ų | 36 | 22.4 Ų | 22.4 | 22% | 0.221 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 110.1 | 169.5 | -55.1 | 0 | 0 | 0 | 0 | 107.4 | F928 Q929 L944 M972 R974 | F928-T942 CarbonylContact C-O 3.51Å; F928-T942 WeakPolarHBondContact CA-O 3.37Å; Q929-T942 PolarHBondContact N-O 3.31Å; Q929-T942 PolarHBondContact O-N 3.48Å; T942-L944 HydrophobicContact CG2-CD2 4.19Å; T942-L944 HydrophobicContact CG2-CG 4.41Å; T942-M972 HydrophobicContact CG2-CG 3.75Å; T942-M972 HydrophobicContact CG2-SD 3.68Å; T942-R974 HydrophobicContact CG2-CG 4.32Å |
| 943 | I | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.1 | -179.5 | -53.6 | 167.1 | 0 | 0 | 0 | 106.9 | I925 F928 L948 V956 M972 I973 I989 I991 | I925-I943 HydrophobicContact CG2-CG2 3.78Å; F928-I943 HydrophobicContact CB-CG1 4.24Å; I943-L948 HydrophobicContact CG2-CD1 4.39Å; I943-L948 WeakPolarHBondContact O-CD1 3.24Å; I943-V956 HydrophobicContact CD1-CG1 3.96Å; I943-M972 CarbonylContact O-C 3.1Å; I943-M972 VanDerWaalsContact O-CA 3.29Å; I943-M972 WeakPolarHBondContact O-CA 3.17Å; I943-I973 HydrophobicContact CB-CB 4.34Å; I943-I973 HydrophobicContact CD1-CB 4.49Å; I943-I973 HydrophobicContact CD1-CG2 4.24Å; I943-I973 PolarHBondContact N-O 3.03Å; I943-I973 PolarHBondContact O-N 2.71Å; I943-I989 HydrophobicContact CD1-CD1 4.03Å; I943-I989 HydrophobicContact CD1-CG2 3.96Å; I943-I989 HydrophobicContact CG1-CD1 3.86Å; I943-I991 HydrophobicContact CD1-CD1 4.06Å; I943-I991 HydrophobicContact CG2-CD1 4.15Å |
| 944 | L | 93.7 | Very high | 91.1 | Very high | 58 Ų | 58 | 26.7 Ų | 26.7 | 30% | 0.304 | 15% | 0.146 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.6 | -177.3 | -63.8 | 173.7 | 0 | 0 | 0 | 110.6 | K926 E927 T942 D971 M972 | K926-L944 PolarHBondContact N-O 3.05Å; E927-L944 HydrophobicContact CG-CB 3.88Å; E927-L944 HydrophobicContact CG-CD1 4.11Å; E927-L944 HydrophobicContact CG-CG 4.5Å; E927-L944 PolarHBondContact N-O 3.45Å; E927-L944 PolarHBondContact O-N 2.63Å; E927-L944 WeakPolarHBondContact OE1-CD1 3.38Å; T942-L944 HydrophobicContact CG2-CD2 4.19Å; T942-L944 HydrophobicContact CG2-CG 4.41Å; L944-D971 WeakPolarHBondContact CA-O 3.23Å; L944-M972 HydrophobicContact CD2-CB 4.01Å; L944-M972 HydrophobicContact CD2-CG 3.99Å |
| 945 | G | 91.7 | Very high | 91.1 | Very high | 7 Ų | 7 | 29.2 Ų | 29.2 | 7% | 0.072 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.6 | -155.6 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | E924 D971 | E924-G945 CarbonylContact O-C 3.51Å; E924-G945 WeakPolarHBondContact O-CA 3.39Å; G945-D971 PolarHBondContact N-O 3.4Å; G945-D971 WeakPolarHBondContact O-CA 3.29Å |
| 946 | E | 91.8 | Very high | 91.2 | Very high | 88 Ų | 88 | 26.6 Ų | 26.6 | 41% | 0.411 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 142.2 | 172.8 | -71.4 | -178 | -167.4 | 0 | 0 | 110.3 | P923 E924 K926 L948 I970 | P923-E946 WeakPolarHBondContact CA-O 3.49Å; E924-E946 PolarHBondContact N-O 2.85Å; E924-E946 PolarHBondContact O-N 2.82Å; K926-E946 WeakPolarHBondContact CE-OE1 3.3Å; K926-E946 IonicContact NZ-OE1 2.69Å; K926-E946 PolarHBondContact NZ-OE1 2.91Å; E946-L948 VanDerWaalsContact C-N 3.26Å; E946-L948 PolarHBondContact O-N 3.15Å; E946-I970 CarbonylContact C-O 3.48Å |
| 947 | H | 91.6 | Very high | 91.4 | Very high | 61 Ų | 61 | 27.1 Ų | 27.1 | 28% | 0.282 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 56.5 | 32 | -178.5 | -53.1 | -59.1 | 0 | 0 | 0 | 115.1 | V921 N949 A950 I970 | V921-H947 HydrophobicContact CB-CB 3.86Å; V921-H947 HydrophobicContact CG1-CB 4.42Å; V921-H947 HydrophobicContact CG2-CB 3.81Å; H947-N949 PolarHBondContact O-N 3.08Å; H947-A950 VanDerWaalsContact O-CB 3.23Å; H947-A950 WeakPolarHBondContact O-CB 3.47Å; H947-A950 PolarHBondContact O-N 3.3Å; H947-A950 VanDerWaalsContact O-N 3.11Å; H947-I970 CarbonylContact C-O 3.57Å; H947-I970 VanDerWaalsContact CA-O 3.32Å; H947-I970 WeakPolarHBondContact CA-O 3.11Å; H947-I970 PolarHBondContact N-O 3.28Å |
| 948 | L | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -5 | -176.6 | -61.2 | -171.7 | 0 | 0 | 0 | 114.7 | I925 I943 E946 I954 L969 I970 I973 F993 | I925-L948 HydrophobicContact CG1-CD2 4.39Å; I943-L948 HydrophobicContact CG2-CD1 4.39Å; I943-L948 WeakPolarHBondContact O-CD1 3.24Å; E946-L948 VanDerWaalsContact C-N 3.26Å; E946-L948 PolarHBondContact O-N 3.15Å; L948-I954 WeakPolarHBondContact O-CD1 3.24Å; L948-L969 CarbonylContact C-O 3.46Å; L948-I970 PolarHBondContact N-O 2.84Å; L948-I973 HydrophobicContact CB-CD1 3.9Å; L948-I973 HydrophobicContact CB-CG1 3.94Å; L948-I973 WeakPolarHBondContact O-CD1 3.01Å; L948-F993 HydrophobicContact CD2-CZ 3.94Å |
| 949 | N | 90.3 | Very high | 91.1 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 1.8 | 170.7 | 64.7 | -21.1 | 0 | 0 | 0 | 113.7 | H947 L969 | H947-N949 PolarHBondContact O-N 3.08Å; N949-L969 WeakPolarHBondContact CB-O 3.5Å; N949-L969 PolarHBondContact N-O 3.39Å; N949-L969 VanDerWaalsContact N-O 3.12Å |
| 950 | A | 90 | Very high | 90.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -61.6 | 137.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | V921 P923 H947 F993 | V921-A950 HydrophobicContact CG2-CB 3.56Å; P923-A950 HydrophobicContact CG-CB 3.84Å; H947-A950 VanDerWaalsContact O-CB 3.23Å; H947-A950 WeakPolarHBondContact O-CB 3.47Å; H947-A950 PolarHBondContact O-N 3.3Å; H947-A950 VanDerWaalsContact O-N 3.11Å; A950-F993 WeakPolarHBondContact O-CD1 3.28Å | ||
| 951 | G | 87.8 | Confident | 90.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 90 | 174.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | S836 D994 | S836-G951 PolarHBondContact O-N 2.93Å; G951-D994 WeakPolarHBondContact CA-OD2 3.08Å |
| 952 | S | 89.3 | Confident | 90.8 | Very high | 35 Ų | 35 | 33.1 Ų | 33.1 | 25% | 0.245 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -87.2 | -49.4 | -175 | 60.5 | 0 | 0 | 0 | 0 | 111.9 | Y844 D994 | Y844-S952 PolarHBondContact N-OG 2.8Å; S952-D994 WeakPolarHBondContact CA-OD1 3.35Å; S952-D994 VanDerWaalsContact N-CG 3.33Å; S952-D994 PolarHBondContact N-OD1 3.05Å; S952-D994 PolarHBondContact N-OD2 3.26Å; S952-D994 PolarHBondContact OG-OD1 2.67Å |
| 953 | N | 89.3 | Confident | 90.8 | Very high | 93 Ų | 93 | 31.8 Ų | 31.8 | 50% | 0.497 | 20% | 0.196 | S | C | . | . | trans | -115.2 | 123.4 | -178.8 | -165.5 | 0.8 | 0 | 0 | 0 | 109.8 | D994 | N953-D994 PolarHBondContact N-OD1 3.22Å; N953-D994 PolarHBondContact O-N 3.17Å | ||
| 954 | I | 90.3 | Very high | 90.8 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 113.5 | 178.2 | -54.1 | -177 | 0 | 0 | 0 | 107.4 | L948 V956 K968 I973 I991 R992 F993 | L948-I954 WeakPolarHBondContact O-CD1 3.24Å; I954-V956 HydrophobicContact CG2-CG2 4.46Å; I954-K968 HydrophobicContact CD1-CD 3.61Å; I954-K968 HydrophobicContact CG1-CD 4.47Å; I954-I973 HydrophobicContact CG2-CD1 4.22Å; I954-I991 HydrophobicContact CG2-CG2 3.68Å; I954-R992 WeakPolarHBondContact CA-O 3.27Å; I954-F993 HydrophobicContact CD1-CD1 3.86Å; I954-F993 HydrophobicContact CD1-CE1 4.1Å; I954-F993 HydrophobicContact CG1-CD1 3.99Å; I954-F993 HydrophobicContact CG2-CD1 4.11Å; I954-F993 HydrophobicContact CG2-CE1 4.15Å |
| 955 | S | 92.1 | Very high | 90.7 | Very high | 53 Ų | 53 | 36.2 Ų | 36.2 | 37% | 0.371 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 124.7 | 172.1 | 57.6 | 0 | 0 | 0 | 0 | 109.5 | R992 | S955-R992 PolarHBondContact N-O 3.03Å; S955-R992 PolarHBondContact O-N 2.78Å |
| 956 | V | 92.8 | Very high | 90.7 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 4% | 0.036 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 132.6 | 175.1 | -177.9 | 0 | 0 | 0 | 0 | 108.6 | I943 I954 C963 V965 I973 I989 E990 I991 | I943-V956 HydrophobicContact CD1-CG1 3.96Å; I954-V956 HydrophobicContact CG2-CG2 4.46Å; V956-C963 HydrophobicContact CB-CB 4.04Å; V956-C963 HydrophobicContact CG1-CB 3.85Å; V956-C963 PolarHBondContact O-N 2.96Å; V956-V965 HydrophobicContact CG2-CG2 3.81Å; V956-I973 HydrophobicContact CG2-CG2 4.32Å; V956-I989 HydrophobicContact CG1-CG2 4.06Å; V956-E990 CarbonylContact C-O 3.51Å; V956-E990 WeakPolarHBondContact CA-O 3.36Å; V956-I991 HydrophobicContact CG1-CG1 4.31Å; V956-I991 HydrophobicContact CG2-CD1 4.39Å; V956-I991 HydrophobicContact CG2-CG1 4.17Å; V956-I991 HydrophobicContact CG2-CG2 4.03Å |
| 957 | S | 92.4 | Very high | 90.7 | Very high | 33 Ų | 33 | 38.9 Ų | 38.9 | 23% | 0.231 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 152.6 | 164.6 | 45.3 | 0 | 0 | 0 | 0 | 110.8 | V961 E990 | S957-V961 CarbonylContact C-O 3.57Å; S957-V961 VanDerWaalsContact CA-O 3.27Å; S957-V961 WeakPolarHBondContact CA-O 3.27Å; S957-E990 WeakPolarHBondContact CB-OE2 3.43Å; S957-E990 PolarHBondContact N-O 3.22Å; S957-E990 PolarHBondContact O-N 2.55Å; S957-E990 WeakPolarHBondContact OG-CB 3.25Å; S957-E990 PolarHBondContact OG-OE2 3.48Å |
| 958 | V | 90.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 101.8 | -178.6 | -179 | 0 | 0 | 0 | 0 | 106.7 | L941 G960 V961 C963 F1005 Y1007 | L941-V958 HydrophobicContact CD1-CG2 3.71Å; V958-G960 VanDerWaalsContact C-N 3.25Å; V958-G960 PolarHBondContact O-N 3.18Å; V958-V961 PolarHBondContact N-O 2.65Å; V958-V961 PolarHBondContact O-N 3.14Å; V958-C963 HydrophobicContact CG2-CB 4.14Å; V958-F1005 HydrophobicContact CG1-CB 3.53Å; V958-F1005 HydrophobicContact CG1-CD1 3.54Å; V958-F1005 HydrophobicContact CG1-CG 3.78Å; V958-Y1007 HydrophobicContact CB-CE2 4.4Å; V958-Y1007 HydrophobicContact CG1-CE2 4.08Å |
| 959 | G | 84.1 | Confident | 90.4 | Very high | 15 Ų | 15 | 43.6 Ų | 43.6 | 16% | 0.155 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 42.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V961 R985 G988 | G959-V961 PolarHBondContact O-N 3Å; G959-R985 VanDerWaalsContact O-CZ 3.26Å; G959-R985 PolarHBondContact O-NE 2.91Å; G959-R985 PolarHBondContact O-NH2 3.19Å; G959-G988 PolarHBondContact N-O 2.88Å |
| 960 | G | 87 | Confident | 90.4 | Very high | 46 Ų | 46 | 46 Ų | 46 | 47% | 0.474 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | -1 | -175.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | V958 E990 | V958-G960 VanDerWaalsContact C-N 3.25Å; V958-G960 PolarHBondContact O-N 3.18Å; G960-E990 PolarHBondContact N-OE2 3Å; G960-E990 VanDerWaalsContact N-OE2 3.17Å |
| 961 | V | 90.9 | Very high | 90.5 | Very high | 10 Ų | 10 | 50.1 Ų | 50.1 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 127 | 171.2 | -179.2 | 0 | 0 | 0 | 0 | 109.5 | S957 V958 G959 P979 Y1007 | S957-V961 CarbonylContact C-O 3.57Å; S957-V961 VanDerWaalsContact CA-O 3.27Å; S957-V961 WeakPolarHBondContact CA-O 3.27Å; V958-V961 PolarHBondContact N-O 2.65Å; V958-V961 PolarHBondContact O-N 3.14Å; G959-V961 PolarHBondContact O-N 3Å; V961-P979 WeakPolarHBondContact CG1-O 3.45Å; V961-Y1007 HydrophobicContact CB-CE2 4.11Å; V961-Y1007 WeakPolarHBondContact CB-OH 3.46Å; V961-Y1007 WeakPolarHBondContact CG1-OH 3.4Å; V961-Y1007 HydrophobicContact CG2-CE2 4.05Å |
| 962 | P | 93 | Very high | 90.8 | Very high | 92 Ų | 92 | 51.9 Ų | 51.9 | 60% | 0.597 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 141.4 | -179.9 | -25.1 | 34.8 | 0 | 0 | 0 | 113.8 | G978 | P962-G978 WeakPolarHBondContact O-CA 3.23Å; P962-G978 PolarHBondContact O-N 3.38Å |
| 963 | C | 93.4 | Very high | 91 | Very high | 7 Ų | 7 | 50.2 Ų | 50.2 | 5% | 0.047 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 114.9 | 173.9 | -164.1 | 0 | 0 | 0 | 0 | 110.2 | V956 V958 V965 C975 R976 | V956-C963 HydrophobicContact CB-CB 4.04Å; V956-C963 HydrophobicContact CG1-CB 3.85Å; V956-C963 PolarHBondContact O-N 2.96Å; V958-C963 HydrophobicContact CG2-CB 4.14Å; C963-V965 PolarHBondContact O-N 3.01Å; C963-C975 HydrophobicContact CB-CB 3.94Å; C963-C975 WeakPolarHBondContact CB-SG 3.32Å; C963-C975 WeakPolarHBondContact SG-CB 3.28Å; C963-C975 CovalentContact SG-SG 2.04Å; C963-C975 PolarHBondContact SG-SG 2.97Å; C963-R976 CarbonylContact C-O 3.55Å; C963-R976 WeakPolarHBondContact CA-O 3.44Å; C963-R976 PolarHBondContact SG-O 3.01Å |
| 964 | T | 93.8 | Very high | 91.3 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 113.3 | -174 | -57 | 0 | 0 | 0 | 0 | 110.6 | I966 C975 R976 | T964-I966 PolarHBondContact O-N 3.49Å; T964-C975 CarbonylContact O-C 3.6Å; T964-C975 WeakPolarHBondContact O-CA 3.4Å; T964-C975 WeakPolarHBondContact O-CB 3.4Å; T964-R976 PolarHBondContact N-O 2.72Å; T964-R976 PolarHBondContact O-N 2.96Å |
| 965 | V | 91.7 | Very high | 91.5 | Very high | 50 Ų | 50 | 50 Ų | 50 | 30% | 0.303 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 120.6 | -178.6 | 179.3 | 0 | 0 | 0 | 0 | 110.8 | V956 C963 I973 C975 | V956-V965 HydrophobicContact CG2-CG2 3.81Å; C963-V965 PolarHBondContact O-N 3.01Å; V965-I973 HydrophobicContact CG1-CG2 4.25Å; V965-I973 HydrophobicContact CG2-CG2 4.39Å; V965-C975 HydrophobicContact CG2-CB 4.35Å |
| 966 | I | 90.8 | Very high | 91.6 | Very high | 94 Ų | 94 | 52.9 Ų | 52.9 | 48% | 0.482 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -48.6 | 177.7 | -48.5 | 173.9 | 0 | 0 | 0 | 110.1 | T940 T964 R974 R976 | T940-I966 HydrophobicContact CG2-CD1 3.98Å; T964-I966 PolarHBondContact O-N 3.49Å; I966-R974 PolarHBondContact N-O 2.96Å; I966-R976 HydrophobicContact CD1-CB 4.17Å; I966-R976 HydrophobicContact CG1-CB 4.39Å |
| 967 | T | 91.3 | Very high | 91.5 | Very high | 57 Ų | 57 | 52.7 Ų | 52.7 | 35% | 0.35 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 145.5 | 179.3 | 52.1 | 0 | 0 | 0 | 0 | 110.6 | R974 | T967-R974 PolarHBondContact N-O 2.99Å; T967-R974 PolarHBondContact O-N 3.33Å; T967-R974 WeakPolarHBondContact OG1-CB 3.07Å |
| 968 | K | 88.2 | Confident | 91.5 | Very high | 71 Ų | 71 | 51.9 Ų | 51.9 | 31% | 0.309 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 116.8 | 173.9 | 57.3 | 176.7 | -177.1 | 172.2 | 0 | 110.1 | I954 I973 | I954-K968 HydrophobicContact CD1-CD 3.61Å; I954-K968 HydrophobicContact CG1-CD 4.47Å; K968-I973 HydrophobicContact CB-CG1 4.37Å |
| 969 | L | 90.2 | Very high | 91.6 | Very high | 89 Ų | 89 | 56.6 Ų | 56.6 | 47% | 0.466 | 32% | 0.317 | S | S | . | . | trans | -113.9 | 174.9 | 171.8 | -58.9 | -173.8 | 0 | 0 | 0 | 109.3 | L948 N949 D971 M972 | L948-L969 CarbonylContact C-O 3.46Å; N949-L969 WeakPolarHBondContact CB-O 3.5Å; N949-L969 PolarHBondContact N-O 3.39Å; N949-L969 VanDerWaalsContact N-O 3.12Å; L969-D971 WeakPolarHBondContact CB-OD1 3.47Å; L969-D971 PolarHBondContact O-N 3.01Å; L969-M972 HydrophobicContact CB-CB 4.4Å; L969-M972 HydrophobicContact CD1-CE 3.74Å; L969-M972 HydrophobicContact CG-CE 4.2Å; L969-M972 PolarHBondContact N-O 2.92Å | ||
| 970 | I | 89.8 | Confident | 91.8 | Very high | 94 Ų | 94 | 56.3 Ų | 56.3 | 48% | 0.482 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -66.1 | -29.2 | -178 | -165.3 | 167.5 | 0 | 0 | 0 | 112.9 | E946 H947 L948 | E946-I970 CarbonylContact C-O 3.48Å; H947-I970 CarbonylContact C-O 3.57Å; H947-I970 VanDerWaalsContact CA-O 3.32Å; H947-I970 WeakPolarHBondContact CA-O 3.11Å; H947-I970 PolarHBondContact N-O 3.28Å; L948-I970 PolarHBondContact N-O 2.84Å |
| 971 | D | 93.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 59.4 Ų | 59.4 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -114.4 | -12.9 | -172.8 | 57.5 | -22 | 0 | 0 | 0 | 113.3 | L944 G945 L969 | L944-D971 WeakPolarHBondContact CA-O 3.23Å; G945-D971 PolarHBondContact N-O 3.4Å; G945-D971 WeakPolarHBondContact O-CA 3.29Å; L969-D971 WeakPolarHBondContact CB-OD1 3.47Å; L969-D971 PolarHBondContact O-N 3.01Å |
| 972 | M | 93.3 | Very high | 91.2 | Very high | 38 Ų | 38 | 62.9 Ų | 62.9 | 19% | 0.187 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 132.8 | -171.4 | -176.6 | -171 | 70.2 | 0 | 0 | 113 | T942 I943 L944 L969 R974 | T942-M972 HydrophobicContact CG2-CG 3.75Å; T942-M972 HydrophobicContact CG2-SD 3.68Å; I943-M972 CarbonylContact O-C 3.1Å; I943-M972 VanDerWaalsContact O-CA 3.29Å; I943-M972 WeakPolarHBondContact O-CA 3.17Å; L944-M972 HydrophobicContact CD2-CB 4.01Å; L944-M972 HydrophobicContact CD2-CG 3.99Å; L969-M972 HydrophobicContact CB-CB 4.4Å; L969-M972 HydrophobicContact CD1-CE 3.74Å; L969-M972 HydrophobicContact CG-CE 4.2Å; L969-M972 PolarHBondContact N-O 2.92Å; M972-R974 HydrophobicContact CE-CG 3.87Å; M972-R974 HydrophobicContact CG-CG 4.27Å; M972-R974 HydrophobicContact SD-CG 3.86Å |
| 973 | I | 93.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 132.8 | 158 | -73.4 | 158.9 | 0 | 0 | 0 | 108.6 | I943 L948 I954 V956 V965 K968 C975 I991 F993 | I943-I973 HydrophobicContact CB-CB 4.34Å; I943-I973 HydrophobicContact CD1-CB 4.49Å; I943-I973 HydrophobicContact CD1-CG2 4.24Å; I943-I973 PolarHBondContact N-O 3.03Å; I943-I973 PolarHBondContact O-N 2.71Å; L948-I973 HydrophobicContact CB-CD1 3.9Å; L948-I973 HydrophobicContact CB-CG1 3.94Å; L948-I973 WeakPolarHBondContact O-CD1 3.01Å; I954-I973 HydrophobicContact CG2-CD1 4.22Å; V956-I973 HydrophobicContact CG2-CG2 4.32Å; V965-I973 HydrophobicContact CG1-CG2 4.25Å; V965-I973 HydrophobicContact CG2-CG2 4.39Å; K968-I973 HydrophobicContact CB-CG1 4.37Å; I973-C975 HydrophobicContact CG2-CB 4.38Å; I973-I991 HydrophobicContact CD1-CD1 4.07Å; I973-I991 HydrophobicContact CD1-CG2 4.48Å; I973-F993 HydrophobicContact CD1-CE1 4.06Å; I973-F993 HydrophobicContact CD1-CZ 4.28Å |
| 974 | R | 94.8 | Very high | 89.9 | Confident | 107 Ų | 107 | 62.6 Ų | 62.6 | 40% | 0.404 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 125 | 161.9 | -65.1 | 174.5 | 65.2 | 177.6 | 1.7 | 109.6 | T940 L941 T942 I966 T967 M972 | T940-R974 HydrophobicContact CG2-CB 4.42Å; L941-R974 CarbonylContact O-C 3.43Å; L941-R974 VanDerWaalsContact O-CA 3.24Å; L941-R974 WeakPolarHBondContact O-CA 3.39Å; T942-R974 HydrophobicContact CG2-CG 4.32Å; I966-R974 PolarHBondContact N-O 2.96Å; T967-R974 PolarHBondContact N-O 2.99Å; T967-R974 PolarHBondContact O-N 3.33Å; T967-R974 WeakPolarHBondContact OG1-CB 3.07Å; M972-R974 HydrophobicContact CE-CG 3.87Å; M972-R974 HydrophobicContact CG-CG 4.27Å; M972-R974 HydrophobicContact SD-CG 3.86Å |
| 975 | C | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 156 | 174.7 | 77.1 | 0 | 0 | 0 | 0 | 111.2 | T940 L941 C963 T964 V965 I973 | T940-C975 CarbonylContact C-O 3.36Å; T940-C975 WeakPolarHBondContact CA-O 3.29Å; L941-C975 PolarHBondContact N-O 3.43Å; L941-C975 PolarHBondContact O-N 3.41Å; C963-C975 HydrophobicContact CB-CB 3.94Å; C963-C975 WeakPolarHBondContact CB-SG 3.32Å; C963-C975 WeakPolarHBondContact SG-CB 3.28Å; C963-C975 CovalentContact SG-SG 2.04Å; C963-C975 PolarHBondContact SG-SG 2.97Å; T964-C975 CarbonylContact O-C 3.6Å; T964-C975 WeakPolarHBondContact O-CA 3.4Å; T964-C975 WeakPolarHBondContact O-CB 3.4Å; V965-C975 HydrophobicContact CG2-CB 4.35Å; I973-C975 HydrophobicContact CG2-CB 4.38Å |
| 976 | R | 94.5 | Very high | 89.3 | Confident | 113 Ų | 113 | 62 Ų | 62 | 43% | 0.426 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 121.6 | 176.6 | 174.7 | 163.3 | 151.8 | -170.6 | -12.2 | 110.1 | T939 C963 T964 I966 D1098 | T939-R976 WeakPolarHBondContact O-CA 3.29Å; C963-R976 CarbonylContact C-O 3.55Å; C963-R976 WeakPolarHBondContact CA-O 3.44Å; C963-R976 PolarHBondContact SG-O 3.01Å; T964-R976 PolarHBondContact N-O 2.72Å; T964-R976 PolarHBondContact O-N 2.96Å; I966-R976 HydrophobicContact CD1-CB 4.17Å; I966-R976 HydrophobicContact CG1-CB 4.39Å; R976-D1098 IonicContact CZ-OD1 3.39Å; R976-D1098 VanDerWaalsContact CZ-OD1 3.31Å; R976-D1098 IonicContact CZ-OD2 3.27Å; R976-D1098 IonicContact NE-OD1 3.57Å; R976-D1098 IonicContact NE-OD2 2.65Å; R976-D1098 PolarHBondContact NE-OD2 2.83Å; R976-D1098 IonicContact NH2-OD1 2.76Å; R976-D1098 PolarHBondContact NH2-OD1 3.19Å; R976-D1098 IonicContact NH2-OD2 2.74Å; R976-D1098 PolarHBondContact NH2-OD2 3.19Å |
| 977 | T | 92.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.012 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 139.8 | -179.1 | 52.7 | 0 | 0 | 0 | 0 | 111.9 | G938 T939 L941 F1005 | G938-T977 PolarHBondContact N-O 3.1Å; G938-T977 PolarHBondContact N-OG1 2.76Å; T939-T977 WeakPolarHBondContact CB-OG1 3.32Å; T939-T977 PolarHBondContact N-OG1 2.8Å; T939-T977 VanDerWaalsContact N-OG1 3.11Å; T939-T977 PolarHBondContact O-N 3.34Å; L941-T977 HydrophobicContact CD1-CG2 3.52Å; L941-T977 HydrophobicContact CG-CG2 4.02Å; T977-F1005 HydrophobicContact CG2-CE1 4.18Å; T977-F1005 HydrophobicContact CG2-CZ 4.12Å |
| 978 | G | 91.5 | Very high | 89 | Confident | 17 Ų | 17 | 56.1 Ų | 56.1 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | -79.5 | 175.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P962 Y1007 | P962-G978 WeakPolarHBondContact O-CA 3.23Å; P962-G978 PolarHBondContact O-N 3.38Å; G978-Y1007 VanDerWaalsContact O-CE1 3.31Å; G978-Y1007 WeakPolarHBondContact O-CE1 3.26Å | ||
| 979 | P | 91.1 | Very high | 89.1 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 64% | 0.643 | 31% | 0.31 | S | S | * | . | trans | -74.7 | 141.9 | 178.9 | 29.8 | -34.9 | 0 | 0 | 0 | 112.7 | Q935 V961 | Q935-P979 CarbonylContact O-C 3.55Å; Q935-P979 VanDerWaalsContact O-CA 3.29Å; Q935-P979 WeakPolarHBondContact O-CA 2.99Å; V961-P979 WeakPolarHBondContact CG1-O 3.45Å | ||
| 980 | S | 89.6 | Confident | 89.2 | Confident | 10 Ų | 10 | 51.4 Ų | 51.4 | 7% | 0.07 | 30% | 0.301 | C | S | . | . | trans | -97.1 | 134.9 | 167.8 | 179.5 | 0 | 0 | 0 | 0 | 109.9 | Q935 V982 R985 | Q935-S980 PolarHBondContact O-N 2.92Å; S980-V982 PolarHBondContact O-N 2.76Å; S980-V982 PolarHBondContact OG-N 3.05Å; S980-V982 PolarHBondContact OG-O 2.64Å; S980-R985 VanDerWaalsContact OG-CD 3.31Å; S980-R985 WeakPolarHBondContact OG-CD 3.41Å | ||
| 981 | S | 83.4 | Confident | 89.4 | Confident | 111 Ų | 111 | 47 Ų | 47 | 78% | 0.776 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -74.9 | -3.7 | 173.2 | 55.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 982 | V | 82.1 | Confident | 89.4 | Confident | 83 Ų | 83 | 48 Ų | 48 | 50% | 0.503 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -138.9 | 121.2 | -176.7 | -175.3 | 0 | 0 | 0 | 0 | 109.2 | S980 R985 | S980-V982 PolarHBondContact O-N 2.76Å; S980-V982 PolarHBondContact OG-N 3.05Å; S980-V982 PolarHBondContact OG-O 2.64Å; V982-R985 WeakPolarHBondContact O-CB 3.42Å; V982-R985 PolarHBondContact O-N 2.85Å |
| 983 | A | 77.1 | Confident | 89.3 | Confident | 38 Ų | 38 | 46.2 Ų | 46.2 | 31% | 0.314 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 141.6 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E1009 | A983-E1009 HydrophobicContact CB-CG 3.71Š|
| 984 | G | 82.3 | Confident | 89.1 | Confident | 54 Ų | 54 | 46.5 Ų | 46.5 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.9 | 4.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | A986 Y1007 | G984-A986 PolarHBondContact O-N 2.8Å; G984-Y1007 WeakPolarHBondContact CA-O 3.34Å; G984-Y1007 PolarHBondContact N-O 3.26Å |
| 985 | R | 86.1 | Confident | 88.9 | Confident | 92 Ų | 92 | 46.5 Ų | 46.5 | 35% | 0.347 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 105.2 | 173.8 | -174.6 | -178.7 | -172 | 133.2 | -1 | 109.5 | G959 S980 V982 Y1007 | G959-R985 VanDerWaalsContact O-CZ 3.26Å; G959-R985 PolarHBondContact O-NE 2.91Å; G959-R985 PolarHBondContact O-NH2 3.19Å; S980-R985 VanDerWaalsContact OG-CD 3.31Å; S980-R985 WeakPolarHBondContact OG-CD 3.41Å; V982-R985 WeakPolarHBondContact O-CB 3.42Å; V982-R985 PolarHBondContact O-N 2.85Å; R985-Y1007 HydrophobicContact CB-CD2 4.36Å; R985-Y1007 WeakPolarHBondContact O-CD2 3.03Å; R985-Y1007 PolarHBondContact O-N 2.94Å |
| 986 | A | 86.1 | Confident | 88.6 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 39% | 0.388 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.4 | 171 | 0 | 0 | 0 | 0 | 0 | 110.8 | G984 Q1004 F1005 | G984-A986 PolarHBondContact O-N 2.8Å; A986-Q1004 HydrophobicContact CB-CB 4.49Å; A986-F1005 WeakPolarHBondContact CA-O 3.36Å |
| 987 | G | 86.1 | Confident | 88.4 | Confident | 10 Ų | 10 | 47.7 Ų | 47.7 | 10% | 0.103 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 155.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1004 F1005 | G987-Q1004 CarbonylContact O-C 3.58Å; G987-Q1004 WeakPolarHBondContact O-CA 3.43Å; G987-F1005 PolarHBondContact N-O 3.26Å; G987-F1005 PolarHBondContact O-N 3.11Å |
| 988 | G | 88.6 | Confident | 88.2 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 19% | 0.186 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 169.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112 | G959 F1000 | G959-G988 PolarHBondContact N-O 2.88Å; G988-F1000 VanDerWaalsContact CA-O 3.3Å; G988-F1000 WeakPolarHBondContact CA-O 3.29Å |
| 989 | I | 92.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 127.3 | 171.8 | -60.2 | -169.3 | 0 | 0 | 0 | 109.1 | F928 I943 V956 I991 T999 F1000 | F928-I989 HydrophobicContact CB-CD1 3.65Å; F928-I989 HydrophobicContact CD1-CD1 3.41Å; F928-I989 VanDerWaalsContact CD1-CD1 3.41Å; F928-I989 HydrophobicContact CD1-CG1 3.98Å; F928-I989 HydrophobicContact CD2-CD1 3.82Å; F928-I989 HydrophobicContact CE1-CD1 3.93Å; F928-I989 HydrophobicContact CE1-CG1 4.02Å; F928-I989 HydrophobicContact CE2-CD1 4.3Å; F928-I989 HydrophobicContact CG-CD1 3.34Å; F928-I989 HydrophobicContact CG-CG1 4.31Å; F928-I989 HydrophobicContact CZ-CD1 4.36Å; F928-I989 HydrophobicContact CZ-CG1 4.41Å; I943-I989 HydrophobicContact CD1-CD1 4.03Å; I943-I989 HydrophobicContact CD1-CG2 3.96Å; I943-I989 HydrophobicContact CG1-CD1 3.86Å; V956-I989 HydrophobicContact CG1-CG2 4.06Å; I989-I991 HydrophobicContact CG2-CD1 4.1Å; I989-I991 HydrophobicContact CG2-CG1 3.73Å; I989-T999 CarbonylContact O-C 3.59Å; I989-T999 WeakPolarHBondContact O-CA 3.32Å; I989-F1000 HydrophobicContact CB-CB 4.48Å; I989-F1000 PolarHBondContact N-O 3.1Å; I989-F1000 VanDerWaalsContact N-O 3.1Å; I989-F1000 PolarHBondContact O-N 3.49Å |
| 990 | E | 92.1 | Very high | 88 | Confident | 61 Ų | 61 | 49.9 Ų | 49.9 | 29% | 0.285 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.5 | 174.9 | -66 | 148 | -176.8 | 0 | 0 | 107.3 | V956 S957 G960 T999 | V956-E990 CarbonylContact C-O 3.51Å; V956-E990 WeakPolarHBondContact CA-O 3.36Å; S957-E990 WeakPolarHBondContact CB-OE2 3.43Å; S957-E990 PolarHBondContact N-O 3.22Å; S957-E990 PolarHBondContact O-N 2.55Å; S957-E990 WeakPolarHBondContact OG-CB 3.25Å; S957-E990 PolarHBondContact OG-OE2 3.48Å; G960-E990 PolarHBondContact N-OE2 3Å; G960-E990 VanDerWaalsContact N-OE2 3.17Å; E990-T999 HydrophobicContact CG-CG2 4.15Å |
| 991 | I | 93.2 | Very high | 87.7 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 123.8 | 174.4 | -45.5 | -176.3 | 0 | 0 | 0 | 109 | I925 I943 I954 V956 I973 I989 F993 K998 | I925-I991 HydrophobicContact CD1-CB 4.37Å; I925-I991 HydrophobicContact CD1-CD1 3.6Å; I925-I991 HydrophobicContact CD1-CG1 3.77Å; I925-I991 HydrophobicContact CG1-CD1 3.99Å; I943-I991 HydrophobicContact CD1-CD1 4.06Å; I943-I991 HydrophobicContact CG2-CD1 4.15Å; I954-I991 HydrophobicContact CG2-CG2 3.68Å; V956-I991 HydrophobicContact CG1-CG1 4.31Å; V956-I991 HydrophobicContact CG2-CD1 4.39Å; V956-I991 HydrophobicContact CG2-CG1 4.17Å; V956-I991 HydrophobicContact CG2-CG2 4.03Å; I973-I991 HydrophobicContact CD1-CD1 4.07Å; I973-I991 HydrophobicContact CD1-CG2 4.48Å; I989-I991 HydrophobicContact CG2-CD1 4.1Å; I989-I991 HydrophobicContact CG2-CG1 3.73Å; I991-F993 HydrophobicContact CB-CD2 4.35Å; I991-F993 HydrophobicContact CB-CE2 3.67Å; I991-F993 HydrophobicContact CB-CZ 3.97Å; I991-F993 HydrophobicContact CD1-CZ 4.2Å; I991-F993 HydrophobicContact CG2-CD1 4.29Å; I991-F993 HydrophobicContact CG2-CD2 3.92Å; I991-F993 HydrophobicContact CG2-CE1 3.84Å; I991-F993 HydrophobicContact CG2-CE2 3.43Å; I991-F993 VanDerWaalsContact CG2-CE2 3.43Å; I991-F993 HydrophobicContact CG2-CG 4.33Å; I991-F993 HydrophobicContact CG2-CZ 3.39Å; I991-K998 PolarHBondContact N-O 3.42Å; I991-K998 PolarHBondContact O-N 3.3Å |
| 992 | R | 92.7 | Very high | 87.8 | Confident | 107 Ų | 107 | 56.8 Ų | 56.8 | 40% | 0.404 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 113.1 | 170.9 | -166.7 | -179.4 | 68.4 | 104.9 | -8.6 | 109.6 | I954 S955 D994 A996 | I954-R992 WeakPolarHBondContact CA-O 3.27Å; S955-R992 PolarHBondContact N-O 3.03Å; S955-R992 PolarHBondContact O-N 2.78Å; R992-D994 WeakPolarHBondContact CG-O 3.29Å; R992-D994 PolarHBondContact NH1-O 2.88Å; R992-A996 CarbonylContact C-O 3.55Å; R992-A996 WeakPolarHBondContact CA-O 3.05Å |
| 993 | F | 91.7 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 102.5 | 171.4 | -53.5 | -92.8 | 0 | 0 | 0 | 107 | P838 P923 L948 A950 I954 I973 I991 N995 A996 K998 | P838-F993 HydrophobicContact CG-CB 4.49Å; P838-F993 WeakPolarHBondContact CG-O 3.43Å; P923-F993 HydrophobicContact CB-CD1 4.31Å; P923-F993 HydrophobicContact CB-CD2 3.76Å; P923-F993 HydrophobicContact CB-CE1 4.09Å; P923-F993 HydrophobicContact CB-CE2 3.49Å; P923-F993 VanDerWaalsContact CB-CE2 3.49Å; P923-F993 HydrophobicContact CB-CG 4.16Å; P923-F993 HydrophobicContact CB-CZ 3.67Å; P923-F993 HydrophobicContact CG-CB 4.37Å; P923-F993 HydrophobicContact CG-CD1 4.22Å; P923-F993 HydrophobicContact CG-CD2 3.88Å; P923-F993 HydrophobicContact CG-CE1 4.47Å; P923-F993 HydrophobicContact CG-CE2 4.15Å; P923-F993 HydrophobicContact CG-CG 3.91Å; P923-F993 HydrophobicContact CG-CZ 4.43Å; L948-F993 HydrophobicContact CD2-CZ 3.94Å; A950-F993 WeakPolarHBondContact O-CD1 3.28Å; I954-F993 HydrophobicContact CD1-CD1 3.86Å; I954-F993 HydrophobicContact CD1-CE1 4.1Å; I954-F993 HydrophobicContact CG1-CD1 3.99Å; I954-F993 HydrophobicContact CG2-CD1 4.11Å; I954-F993 HydrophobicContact CG2-CE1 4.15Å; I973-F993 HydrophobicContact CD1-CE1 4.06Å; I973-F993 HydrophobicContact CD1-CZ 4.28Å; I991-F993 HydrophobicContact CB-CD2 4.35Å; I991-F993 HydrophobicContact CB-CE2 3.67Å; I991-F993 HydrophobicContact CB-CZ 3.97Å; I991-F993 HydrophobicContact CD1-CZ 4.2Å; I991-F993 HydrophobicContact CG2-CD1 4.29Å; I991-F993 HydrophobicContact CG2-CD2 3.92Å; I991-F993 HydrophobicContact CG2-CE1 3.84Å; I991-F993 HydrophobicContact CG2-CE2 3.43Å; I991-F993 VanDerWaalsContact CG2-CE2 3.43Å; I991-F993 HydrophobicContact CG2-CG 4.33Å; I991-F993 HydrophobicContact CG2-CZ 3.39Å; F993-N995 PolarHBondContact O-N 3.33Å; F993-A996 HydrophobicContact CB-CB 4.48Å; F993-A996 PolarHBondContact N-O 2.56Å; F993-A996 WeakPolarHBondContact O-CB 3.49Å; F993-A996 PolarHBondContact O-N 3.08Å; F993-K998 HydrophobicContact CD2-CG 4.09Å; F993-K998 HydrophobicContact CE2-CB 4.25Å; F993-K998 HydrophobicContact CE2-CG 3.97Å |
| 994 | D | 90 | Very high | 88.5 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 3% | 0.032 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.9 | -106.6 | -173.3 | -57 | -41.8 | 0 | 0 | 0 | 113.5 | P838 G841 T843 G951 S952 N953 R992 | P838-D994 HydrophobicContact CG-CB 4.22Å; G841-D994 WeakPolarHBondContact O-CB 3.43Å; T843-D994 WeakPolarHBondContact CA-OD2 3.4Å; T843-D994 VanDerWaalsContact CB-OD2 3.22Å; T843-D994 WeakPolarHBondContact CB-OD2 3.44Å; T843-D994 PolarHBondContact OG1-OD2 3.12Å; G951-D994 WeakPolarHBondContact CA-OD2 3.08Å; S952-D994 WeakPolarHBondContact CA-OD1 3.35Å; S952-D994 VanDerWaalsContact N-CG 3.33Å; S952-D994 PolarHBondContact N-OD1 3.05Å; S952-D994 PolarHBondContact N-OD2 3.26Å; S952-D994 PolarHBondContact OG-OD1 2.67Å; N953-D994 PolarHBondContact N-OD1 3.22Å; N953-D994 PolarHBondContact O-N 3.17Å; R992-D994 WeakPolarHBondContact CG-O 3.29Å; R992-D994 PolarHBondContact NH1-O 2.88Å |
| 995 | N | 89.8 | Confident | 88.9 | Confident | 106 Ų | 106 | 56 Ų | 56 | 57% | 0.567 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -4.2 | 175.7 | -66.7 | -11.8 | 0 | 0 | 0 | 114.5 | E840 G841 G842 F993 | E840-N995 HydrophobicContact CB-CB 4.43Å; G841-N995 WeakPolarHBondContact O-CB 3.25Å; G841-N995 PolarHBondContact O-N 3.44Å; G842-N995 WeakPolarHBondContact CA-ND2 3.39Å; G842-N995 PolarHBondContact N-ND2 3.29Å; F993-N995 PolarHBondContact O-N 3.33Å |
| 996 | A | 87.8 | Confident | 89.2 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.008 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 121.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P838 E840 R992 F993 | P838-A996 HydrophobicContact CB-CB 3.45Å; P838-A996 VanDerWaalsContact CB-CB 3.45Å; P838-A996 HydrophobicContact CG-CB 4.03Å; E840-A996 HydrophobicContact CB-CB 4.06Å; E840-A996 VanDerWaalsContact CD-CB 3.44Å; E840-A996 HydrophobicContact CG-CB 4.04Å; E840-A996 WeakPolarHBondContact OE2-CB 3.06Å; R992-A996 CarbonylContact C-O 3.55Å; R992-A996 WeakPolarHBondContact CA-O 3.05Å; F993-A996 HydrophobicContact CB-CB 4.48Å; F993-A996 PolarHBondContact N-O 2.56Å; F993-A996 WeakPolarHBondContact O-CB 3.49Å; F993-A996 PolarHBondContact O-N 3.08Å |
| 997 | E | 89.5 | Confident | 89.5 | Confident | 137 Ų | 137 | 51.5 Ų | 51.5 | 64% | 0.64 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 128 | 173.3 | -168.3 | 167.3 | -156.8 | 0 | 0 | 109.5 | ||
| 998 | K | 89.8 | Confident | 89.7 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.4 | 177.7 | -57.3 | -62 | 173.8 | -150.2 | 0 | 108.8 | E840 P923 I925 I991 F993 | E840-K998 IonicContact OE1-NZ 2.63Å; E840-K998 PolarHBondContact OE1-NZ 3.14Å; P923-K998 WeakPolarHBondContact O-CE 3.39Å; I925-K998 HydrophobicContact CD1-CB 4.18Å; I991-K998 PolarHBondContact N-O 3.42Å; I991-K998 PolarHBondContact O-N 3.3Å; F993-K998 HydrophobicContact CD2-CG 4.09Å; F993-K998 HydrophobicContact CE2-CB 4.25Å; F993-K998 HydrophobicContact CE2-CG 3.97Å |
| 999 | T | 88.9 | Confident | 89.8 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 63% | 0.632 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 134.2 | 178.1 | 55.2 | 0 | 0 | 0 | 0 | 110.2 | I989 E990 | I989-T999 CarbonylContact O-C 3.59Å; I989-T999 WeakPolarHBondContact O-CA 3.32Å; E990-T999 HydrophobicContact CG-CG2 4.15Å |
| 1000 | F | 89.8 | Confident | 89.7 | Confident | 16 Ų | 16 | 58.8 Ų | 58.8 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 101.9 | 177.8 | -172.4 | -96.5 | 0 | 0 | 0 | 109.5 | I925 K926 F928 G988 I989 K1002 S1003 | I925-F1000 HydrophobicContact CB-CB 4.02Å; I925-F1000 HydrophobicContact CB-CD2 3.84Å; I925-F1000 HydrophobicContact CB-CG 4.13Å; I925-F1000 HydrophobicContact CD1-CB 3.95Å; I925-F1000 HydrophobicContact CG2-CB 3.74Å; I925-F1000 HydrophobicContact CG2-CD1 4.24Å; I925-F1000 HydrophobicContact CG2-CD2 3.64Å; I925-F1000 HydrophobicContact CG2-CE2 4.27Å; I925-F1000 HydrophobicContact CG2-CG 3.61Å; I925-F1000 VanDerWaalsContact O-CD2 3.32Å; I925-F1000 WeakPolarHBondContact O-CD2 3.2Å; I925-F1000 VanDerWaalsContact O-CE2 3.32Å; I925-F1000 WeakPolarHBondContact O-CE2 3.48Å; K926-F1000 VanDerWaalsContact O-CE2 3.25Å; K926-F1000 WeakPolarHBondContact O-CE2 3.47Å; K926-F1000 WeakPolarHBondContact O-CZ 3.27Å; F928-F1000 AromaticContact CD1-CD1 3.82Å; F928-F1000 HydrophobicContact CD1-CD1 3.82Å; F928-F1000 AromaticContact CD1-CE1 3.84Å; F928-F1000 HydrophobicContact CD1-CE1 3.84Å; F928-F1000 AromaticContact CE1-CD1 3.8Å; F928-F1000 HydrophobicContact CE1-CD1 3.8Å; F928-F1000 AromaticContact CE1-CE1 3.89Å; F928-F1000 HydrophobicContact CE1-CE1 3.89Å; G988-F1000 VanDerWaalsContact CA-O 3.3Å; G988-F1000 WeakPolarHBondContact CA-O 3.29Å; I989-F1000 HydrophobicContact CB-CB 4.48Å; I989-F1000 PolarHBondContact N-O 3.1Å; I989-F1000 VanDerWaalsContact N-O 3.1Å; I989-F1000 PolarHBondContact O-N 3.49Å; F1000-K1002 HydrophobicContact CE1-CB 4.12Å; F1000-K1002 HydrophobicContact CE2-CB 4.17Å; F1000-K1002 HydrophobicContact CE2-CD 4.03Å; F1000-K1002 HydrophobicContact CE2-CG 4.37Å; F1000-K1002 HydrophobicContact CZ-CB 3.79Å; F1000-K1002 HydrophobicContact CZ-CD 4.25Å; F1000-K1002 HydrophobicContact CZ-CG 4.46Å; F1000-S1003 WeakPolarHBondContact CE1-OG 3.46Å |
| 1001 | A | 83 | Confident | 89.6 | Confident | 76 Ų | 76 | 56.1 Ų | 56.1 | 63% | 0.628 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 4.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1003 | A1001-S1003 VanDerWaalsContact C-N 3.32Å |
| 1002 | K | 84.9 | Confident | 89.5 | Confident | 190 Ų | 190 | 60.1 Ų | 60.1 | 83% | 0.826 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.8 | -31.7 | 179.7 | -72.9 | -177.8 | 178.6 | 174.5 | 0 | 112.8 | F1000 | F1000-K1002 HydrophobicContact CE1-CB 4.12Å; F1000-K1002 HydrophobicContact CE2-CB 4.17Å; F1000-K1002 HydrophobicContact CE2-CD 4.03Å; F1000-K1002 HydrophobicContact CE2-CG 4.37Å; F1000-K1002 HydrophobicContact CZ-CB 3.79Å; F1000-K1002 HydrophobicContact CZ-CD 4.25Å; F1000-K1002 HydrophobicContact CZ-CG 4.46Å |
| 1003 | S | 83.9 | Confident | 89.3 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 34% | 0.336 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 157.1 | 165.1 | 52.6 | 0 | 0 | 0 | 0 | 108.8 | F928 F1000 A1001 | F928-S1003 WeakPolarHBondContact CE1-OG 3.06Å; F928-S1003 WeakPolarHBondContact CZ-OG 3.47Å; F1000-S1003 WeakPolarHBondContact CE1-OG 3.46Å; A1001-S1003 VanDerWaalsContact C-N 3.32Å |
| 1004 | Q | 89.4 | Confident | 89.1 | Confident | 112 Ų | 112 | 61.3 Ų | 61.3 | 52% | 0.523 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 143.9 | -179.3 | -63.7 | 178.6 | -1.2 | 0 | 0 | 108.9 | A986 G987 | A986-Q1004 HydrophobicContact CB-CB 4.49Å; G987-Q1004 CarbonylContact O-C 3.58Å; G987-Q1004 WeakPolarHBondContact O-CA 3.43Å |
| 1005 | F | 92.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.6 | 166.5 | 179.3 | -91.3 | 0 | 0 | 0 | 108.6 | F928 S931 S932 T939 L941 V958 T977 A986 G987 Y1007 | F928-F1005 HydrophobicContact CE2-CB 3.93Å; F928-F1005 HydrophobicContact CE2-CD2 4.46Å; F928-F1005 HydrophobicContact CZ-CB 4.26Å; S931-F1005 VanDerWaalsContact O-CA 3.31Å; S931-F1005 WeakPolarHBondContact O-CA 3.35Å; S932-F1005 WeakPolarHBondContact O-CE2 3.17Å; T939-F1005 HydrophobicContact CG2-CE2 4.32Å; T939-F1005 HydrophobicContact CG2-CZ 4.43Å; L941-F1005 HydrophobicContact CD1-CD2 4.32Å; L941-F1005 HydrophobicContact CD2-CD2 3.68Å; L941-F1005 HydrophobicContact CD2-CE2 3.82Å; L941-F1005 HydrophobicContact CG-CD2 4.42Å; L941-F1005 HydrophobicContact CG-CE2 4.34Å; V958-F1005 HydrophobicContact CG1-CB 3.53Å; V958-F1005 HydrophobicContact CG1-CD1 3.54Å; V958-F1005 HydrophobicContact CG1-CG 3.78Å; T977-F1005 HydrophobicContact CG2-CE1 4.18Å; T977-F1005 HydrophobicContact CG2-CZ 4.12Å; A986-F1005 WeakPolarHBondContact CA-O 3.36Å; G987-F1005 PolarHBondContact N-O 3.26Å; G987-F1005 PolarHBondContact O-N 3.11Å; F1005-Y1007 HydrophobicContact CD1-CD2 4.06Å; F1005-Y1007 AromaticContact CD1-CE2 3.94Å; F1005-Y1007 HydrophobicContact CD1-CE2 3.94Å; F1005-Y1007 HydrophobicContact CD1-CG 4.45Å; F1005-Y1007 AromaticContact CE1-CD1 3.92Å; F1005-Y1007 HydrophobicContact CE1-CD1 3.92Å; F1005-Y1007 HydrophobicContact CE1-CD2 4.04Å; F1005-Y1007 AromaticContact CE1-CE1 3.85Å; F1005-Y1007 HydrophobicContact CE1-CE1 3.85Å; F1005-Y1007 AromaticContact CE1-CE2 3.98Å; F1005-Y1007 HydrophobicContact CE1-CE2 3.98Å; F1005-Y1007 HydrophobicContact CE1-CG 4.01Å; F1005-Y1007 AromaticContact CE1-CZ 3.88Å |
| 1006 | T | 92.4 | Very high | 89.1 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 26% | 0.258 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.1 | 178.1 | -53.8 | 0 | 0 | 0 | 0 | 110.4 | S931 S932 G933 E1008 | S931-T1006 PolarHBondContact O-N 2.96Å; S932-T1006 VanDerWaalsContact CA-O 3.22Å; S932-T1006 WeakPolarHBondContact CA-O 3.35Å; S932-T1006 WeakPolarHBondContact CB-O 3.28Å; G933-T1006 PolarHBondContact N-O 3.11Å; T1006-E1008 HydrophobicContact CG2-CG 3.97Å; T1006-E1008 PolarHBondContact O-N 3.43Å |
| 1007 | Y | 91.9 | Very high | 88.9 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.008 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 105.4 | 163.4 | -71 | -85.8 | 0 | 0 | 0 | 108.4 | G933 V958 V961 G978 G984 R985 F1005 | G933-Y1007 WeakPolarHBondContact O-CA 3.28Å; V958-Y1007 HydrophobicContact CB-CE2 4.4Å; V958-Y1007 HydrophobicContact CG1-CE2 4.08Å; V961-Y1007 HydrophobicContact CB-CE2 4.11Å; V961-Y1007 WeakPolarHBondContact CB-OH 3.46Å; V961-Y1007 WeakPolarHBondContact CG1-OH 3.4Å; V961-Y1007 HydrophobicContact CG2-CE2 4.05Å; G978-Y1007 VanDerWaalsContact O-CE1 3.31Å; G978-Y1007 WeakPolarHBondContact O-CE1 3.26Å; G984-Y1007 WeakPolarHBondContact CA-O 3.34Å; G984-Y1007 PolarHBondContact N-O 3.26Å; R985-Y1007 HydrophobicContact CB-CD2 4.36Å; R985-Y1007 WeakPolarHBondContact O-CD2 3.03Å; R985-Y1007 PolarHBondContact O-N 2.94Å; F1005-Y1007 HydrophobicContact CD1-CD2 4.06Å; F1005-Y1007 AromaticContact CD1-CE2 3.94Å; F1005-Y1007 HydrophobicContact CD1-CE2 3.94Å; F1005-Y1007 HydrophobicContact CD1-CG 4.45Å; F1005-Y1007 AromaticContact CE1-CD1 3.92Å; F1005-Y1007 HydrophobicContact CE1-CD1 3.92Å; F1005-Y1007 HydrophobicContact CE1-CD2 4.04Å; F1005-Y1007 AromaticContact CE1-CE1 3.85Å; F1005-Y1007 HydrophobicContact CE1-CE1 3.85Å; F1005-Y1007 AromaticContact CE1-CE2 3.98Å; F1005-Y1007 HydrophobicContact CE1-CE2 3.98Å; F1005-Y1007 HydrophobicContact CE1-CG 4.01Å; F1005-Y1007 AromaticContact CE1-CZ 3.88Å |
| 1008 | E | 90.5 | Very high | 88.6 | Confident | 64 Ų | 64 | 57.1 Ų | 57.1 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 165.2 | 176.2 | -69.8 | -178.3 | -128.7 | 0 | 0 | 110.6 | S932 G933 P934 Q935 T1006 L1038 | S932-E1008 WeakPolarHBondContact CB-OE1 3.35Å; S932-E1008 PolarHBondContact OG-OE1 3.25Å; G933-E1008 PolarHBondContact O-N 2.83Å; P934-E1008 CarbonylContact C-O 3.59Å; Q935-E1008 WeakPolarHBondContact CB-O 3.17Å; Q935-E1008 PolarHBondContact N-O 2.92Å; T1006-E1008 HydrophobicContact CG2-CG 3.97Å; T1006-E1008 PolarHBondContact O-N 3.43Å; E1008-L1038 HydrophobicContact CB-CD1 3.62Å; E1008-L1038 HydrophobicContact CB-CD2 4.26Å; E1008-L1038 HydrophobicContact CG-CD2 4.42Å |
| 1009 | E | 90.3 | Very high | 88.4 | Confident | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 148.1 | 174.4 | -69.5 | -179 | -176.5 | 0 | 0 | 111.6 | A983 R1035 L1038 | A983-E1009 HydrophobicContact CB-CG 3.71Å; E1009-R1035 VanDerWaalsContact CB-NH2 3.3Å; E1009-R1035 WeakPolarHBondContact O-CD 3.31Å; E1009-R1035 PolarHBondContact O-NE 2.82Å; E1009-R1035 IonicContact OE2-CZ 2.69Å; E1009-R1035 IonicContact OE2-NH1 3.77Å; E1009-R1035 PolarHBondContact OE2-NH1 2.9Å; E1009-R1035 IonicContact OE2-NH2 3.33Å; E1009-R1035 PolarHBondContact OE2-NH2 2.92Å; E1009-L1038 WeakPolarHBondContact O-CD1 3.01Å |
| 1010 | D | 89.9 | Confident | 88.5 | Confident | 14 Ų | 14 | 56.6 Ų | 56.6 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 145.7 | -177.5 | -68 | -42.6 | 0 | 0 | 0 | 112.1 | P934 Q935 S936 R1035 V1099 | P934-D1010 VanDerWaalsContact CB-OD1 3.25Å; P934-D1010 WeakPolarHBondContact CB-OD1 3.35Å; Q935-D1010 HydrophobicContact CG-CB 4.35Å; Q935-D1010 WeakPolarHBondContact CG-OD1 3.31Å; Q935-D1010 WeakPolarHBondContact CG-OD2 3.37Å; Q935-D1010 PolarHBondContact N-OD1 3.43Å; Q935-D1010 PolarHBondContact NE2-OD2 2.97Å; S936-D1010 VanDerWaalsContact CB-OD1 3.25Å; S936-D1010 WeakPolarHBondContact CB-OD1 3.38Å; S936-D1010 PolarHBondContact N-OD1 2.8Å; S936-D1010 VanDerWaalsContact OG-CG 3.23Å; S936-D1010 PolarHBondContact OG-OD1 2.88Å; S936-D1010 VanDerWaalsContact OG-OD1 3.07Å; S936-D1010 PolarHBondContact OG-OD2 3.01Å; D1010-R1035 PolarHBondContact O-NE 2.88Å; D1010-R1035 VanDerWaalsContact O-NE 3.14Å; D1010-R1035 PolarHBondContact O-NH2 2.94Å; D1010-V1099 HydrophobicContact CB-CG1 3.92Å; D1010-V1099 HydrophobicContact CB-CG2 4.14Å |
| 1011 | P | 91 | Very high | 88.6 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.026 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -63 | 142.5 | 169.5 | 28.6 | -37.1 | 0 | 0 | 0 | 110.9 | D1034 F1036 V1039 M1096 V1099 | P1011-D1034 VanDerWaalsContact CA-O 3.31Å; P1011-D1034 WeakPolarHBondContact CA-O 3.37Å; P1011-F1036 HydrophobicContact CB-CD1 4.28Å; P1011-V1039 HydrophobicContact CB-CG2 4.16Å; P1011-V1039 HydrophobicContact CG-CG2 3.68Å; P1011-M1096 HydrophobicContact CB-SD 4.1Å; P1011-M1096 HydrophobicContact CG-CB 4.28Å; P1011-M1096 HydrophobicContact CG-SD 3.97Å; P1011-V1099 HydrophobicContact CG-CG2 3.93Å |
| 1012 | I | 89.3 | Confident | 89 | Confident | 86 Ų | 86 | 52.4 Ų | 52.4 | 44% | 0.441 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 132.5 | -175 | -60.2 | 175.3 | 0 | 0 | 0 | 108.7 | K1014 G1033 D1034 F1036 | I1012-K1014 HydrophobicContact CG2-CG 4.39Å; I1012-G1033 CarbonylContact O-C 3.58Å; I1012-G1033 WeakPolarHBondContact O-CA 3.31Å; I1012-D1034 PolarHBondContact N-O 2.87Å; I1012-D1034 VanDerWaalsContact N-O 3.17Å; I1012-D1034 PolarHBondContact O-N 3.3Å; I1012-F1036 WeakPolarHBondContact O-CE1 2.99Å |
| 1013 | V | 89 | Confident | 89.2 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 8% | 0.079 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 127.2 | 165.7 | -178.9 | 0 | 0 | 0 | 0 | 108.2 | V1016 V1031 F1036 F1094 M1096 F1111 | V1013-V1016 HydrophobicContact CG1-CG2 4.27Å; V1013-V1031 HydrophobicContact CG1-CG1 3.68Å; V1013-V1031 HydrophobicContact CG2-CG1 4.23Å; V1013-F1036 HydrophobicContact CG2-CE1 4.18Å; V1013-F1036 HydrophobicContact CG2-CZ 4.3Å; V1013-F1094 HydrophobicContact CG1-CE2 4.12Å; V1013-F1094 HydrophobicContact CG2-CD2 3.74Å; V1013-F1094 HydrophobicContact CG2-CE2 4.1Å; V1013-F1094 HydrophobicContact CG2-CG 4.49Å; V1013-M1096 HydrophobicContact CG2-CE 3.49Å; V1013-M1096 VanDerWaalsContact CG2-CE 3.49Å; V1013-M1096 HydrophobicContact CG2-SD 4.4Å; V1013-F1111 HydrophobicContact CB-CZ 4.28Å; V1013-F1111 HydrophobicContact CG1-CE1 3.94Å; V1013-F1111 HydrophobicContact CG1-CZ 3.75Å; V1013-F1111 WeakPolarHBondContact O-CZ 3.38Å |
| 1014 | K | 88.1 | Confident | 89.4 | Confident | 119 Ų | 119 | 42 Ų | 42 | 52% | 0.517 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | -36.7 | -178.4 | -69.9 | 173.4 | -174.2 | 155.7 | 0 | 113.1 | I1012 H1032 G1033 D1034 | I1012-K1014 HydrophobicContact CG2-CG 4.39Å; K1014-H1032 PolarHBondContact N-O 2.89Å; K1014-G1033 PolarHBondContact NZ-O 3.41Å; K1014-D1034 IonicContact NZ-OD2 3.36Å; K1014-D1034 PolarHBondContact NZ-OD2 3.46Å |
| 1015 | S | 89.5 | Confident | 89.4 | Confident | 55 Ų | 55 | 36.7 Ų | 36.7 | 39% | 0.385 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 155.6 | 176 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | H1032 | S1015-H1032 PolarHBondContact N-O 3.12Å; S1015-H1032 VanDerWaalsContact N-O 3.13Å; S1015-H1032 PolarHBondContact O-N 2.81Å |
| 1016 | V | 89.2 | Confident | 89.3 | Confident | 17 Ų | 17 | 36.8 Ų | 36.8 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 124.3 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 108.6 | V1013 S1018 I1029 V1031 Y1092 F1094 F1111 F1114 | V1013-V1016 HydrophobicContact CG1-CG2 4.27Å; V1016-S1018 PolarHBondContact O-N 2.93Å; V1016-S1018 VanDerWaalsContact O-N 3.1Å; V1016-I1029 HydrophobicContact CG1-CD1 3.81Å; V1016-V1031 HydrophobicContact CG2-CG1 4.31Å; V1016-V1031 HydrophobicContact CG2-CG2 4.43Å; V1016-Y1092 HydrophobicContact CG2-CE2 4.09Å; V1016-Y1092 WeakPolarHBondContact CG2-OH 3.23Å; V1016-F1094 HydrophobicContact CG2-CE2 4.32Å; V1016-F1094 HydrophobicContact CG2-CZ 4.29Å; V1016-F1111 HydrophobicContact CG2-CD1 4.36Å; V1016-F1111 HydrophobicContact CG2-CE1 4.19Å; V1016-F1114 HydrophobicContact CG1-CE2 4.32Å |
| 1017 | S | 84.9 | Confident | 89.2 | Confident | 59 Ų | 59 | 34.9 Ų | 34.9 | 41% | 0.413 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -67.1 | -10.4 | -169.3 | 55.8 | 0 | 0 | 0 | 0 | 116 | R1030 | S1017-R1030 WeakPolarHBondContact CB-O 3.16Å; S1017-R1030 PolarHBondContact N-O 2.72Å; S1017-R1030 WeakPolarHBondContact OG-CA 2.95Å; S1017-R1030 WeakPolarHBondContact OG-CB 3.35Å; S1017-R1030 PolarHBondContact OG-N 3.1Å; S1017-R1030 PolarHBondContact OG-O 3Å |
| 1018 | S | 82.3 | Confident | 89.1 | Confident | 31 Ų | 31 | 37.3 Ų | 37.3 | 22% | 0.217 | 20% | 0.196 | C | C | . | . | trans | -163.4 | 122.2 | 168.9 | -165.2 | 0 | 0 | 0 | 0 | 109.5 | V1016 K1020 F1114 | V1016-S1018 PolarHBondContact O-N 2.93Å; V1016-S1018 VanDerWaalsContact O-N 3.1Å; S1018-K1020 PolarHBondContact O-N 3.37Å; S1018-F1114 WeakPolarHBondContact O-CE2 3.38Å; S1018-F1114 WeakPolarHBondContact O-CZ 3.39Å | ||
| 1019 | E | 86.9 | Confident | 89.1 | Confident | 50 Ų | 50 | 34.3 Ų | 34.3 | 23% | 0.234 | 18% | 0.182 | C | C | . | . | trans | -93.2 | 37.5 | 177.3 | -61.9 | 176 | 134.5 | 0 | 0 | 111.2 | Y1092 R1112 F1114 S1115 | E1019-Y1092 PolarHBondContact OE1-OH 2.81Å; E1019-R1112 PolarHBondContact OE1-N 2.82Å; E1019-F1114 HydrophobicContact CB-CD2 4.31Å; E1019-F1114 HydrophobicContact CB-CE2 4.41Å; E1019-S1115 PolarHBondContact O-N 3.31Å | ||
| 1020 | K | 90.5 | Very high | 89.2 | Confident | 87 Ų | 87 | 35.4 Ų | 35.4 | 38% | 0.378 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 137.5 | -177.4 | -64.3 | -170.5 | 167.9 | -168.1 | 0 | 112.3 | S1018 F1114 S1115 F1117 L1152 A1153 | S1018-K1020 PolarHBondContact O-N 3.37Å; K1020-F1114 WeakPolarHBondContact O-CE1 3.39Å; K1020-S1115 CarbonylContact C-O 3.52Å; K1020-S1115 VanDerWaalsContact CA-O 3.31Å; K1020-S1115 WeakPolarHBondContact CA-O 3.41Å; K1020-F1117 HydrophobicContact CB-CE2 4.36Å; K1020-F1117 HydrophobicContact CD-CE2 3.83Å; K1020-F1117 HydrophobicContact CD-CZ 4.49Å; K1020-F1117 HydrophobicContact CG-CE2 3.97Å; K1020-L1152 WeakPolarHBondContact CD-O 3.42Å; K1020-L1152 PolarHBondContact NZ-O 2.91Å; K1020-A1153 HydrophobicContact CB-CB 4.05Å |
| 1021 | S | 92.1 | Very high | 89.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 171.5 | 171 | -167.4 | 0 | 0 | 0 | 0 | 110.8 | T1069 S1115 I1116 F1117 | S1021-T1069 WeakPolarHBondContact OG-CB 3.12Å; S1021-T1069 PolarHBondContact OG-OG1 2.87Å; S1021-S1115 PolarHBondContact N-O 2.72Å; S1021-I1116 WeakPolarHBondContact O-CA 3.24Å; S1021-F1117 PolarHBondContact O-N 3.35Å |
| 1022 | I | 91 | Very high | 89.4 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 166.1 | 160.4 | 63.2 | 178.3 | 0 | 0 | 0 | 110.3 | S1024 G1025 L1027 F1117 D1119 A1153 L1154 L1212 | I1022-S1024 VanDerWaalsContact C-N 3.32Å; I1022-S1024 PolarHBondContact O-N 3.35Å; I1022-G1025 PolarHBondContact O-N 3.39Å; I1022-L1027 HydrophobicContact CD1-CD2 4.33Å; I1022-L1027 HydrophobicContact CG1-CD2 4.31Å; I1022-F1117 CarbonylContact C-O 3.53Å; I1022-F1117 VanDerWaalsContact CA-O 3.32Å; I1022-F1117 WeakPolarHBondContact CA-O 3.43Å; I1022-D1119 VanDerWaalsContact CB-OD1 3.27Å; I1022-D1119 WeakPolarHBondContact CB-OD1 3.28Å; I1022-D1119 WeakPolarHBondContact CD1-OD1 3.22Å; I1022-D1119 WeakPolarHBondContact CG1-OD1 3.42Å; I1022-A1153 HydrophobicContact CG2-CB 4.09Å; I1022-L1154 HydrophobicContact CD1-CD2 4.34Å; I1022-L1154 HydrophobicContact CG2-CG 4.32Å; I1022-L1212 HydrophobicContact CD1-CB 4.39Å; I1022-L1212 HydrophobicContact CD1-CD1 4.17Å |
| 1023 | V | 89.5 | Confident | 89.5 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -44.2 | -179.9 | 178.6 | 0 | 0 | 0 | 0 | 111.9 | G1025 V1072 L1074 Y1081 P1082 I1116 F1117 D1119 | V1023-G1025 PolarHBondContact O-N 3.41Å; V1023-V1072 WeakPolarHBondContact CG1-O 3.16Å; V1023-V1072 PolarHBondContact O-N 3.4Å; V1023-L1074 HydrophobicContact CG1-CB 4.25Å; V1023-Y1081 HydrophobicContact CB-CE2 4.45Å; V1023-Y1081 HydrophobicContact CG1-CE2 4.14Å; V1023-Y1081 HydrophobicContact CG2-CE2 3.97Å; V1023-P1082 HydrophobicContact CG2-CG 3.38Å; V1023-I1116 HydrophobicContact CG2-CG2 4.12Å; V1023-F1117 PolarHBondContact N-O 2.86Å; V1023-F1117 VanDerWaalsContact N-O 3.13Å; V1023-D1119 PolarHBondContact N-OD1 3.14Å |
| 1024 | S | 88.2 | Confident | 89.6 | Confident | 14 Ų | 14 | 36 Ų | 36 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -7.5 | 177.1 | -68.9 | 0 | 0 | 0 | 0 | 114.4 | I1022 D1119 N1216 R1217 | I1022-S1024 VanDerWaalsContact C-N 3.32Å; I1022-S1024 PolarHBondContact O-N 3.35Å; S1024-D1119 WeakPolarHBondContact CB-OD1 3.27Å; S1024-D1119 PolarHBondContact N-OD1 2.83Å; S1024-D1119 PolarHBondContact OG-OD1 2.66Å; S1024-D1119 PolarHBondContact OG-OD2 2.93Å; S1024-N1216 WeakPolarHBondContact O-CB 3.41Å; S1024-N1216 PolarHBondContact O-ND2 2.96Å; S1024-R1217 WeakPolarHBondContact OG-CD 3.48Å |
| 1025 | G | 89.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | trans | 62.8 | -147.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I1022 V1023 L1027 P1070 | I1022-G1025 PolarHBondContact O-N 3.39Å; V1023-G1025 PolarHBondContact O-N 3.41Å; G1025-L1027 VanDerWaalsContact C-N 3.27Å; G1025-L1027 PolarHBondContact O-N 3.21Å; G1025-P1070 WeakPolarHBondContact CA-O 3.46Å | ||
| 1026 | G | 88.2 | Confident | 89.8 | Confident | 2 Ų | 2 | 30 Ų | 30 | 2% | 0.021 | 15% | 0.149 | C | C | . | . | trans | 73.2 | 9.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T1069 G1213 A1214 | G1026-T1069 PolarHBondContact N-O 2.92Å; G1026-T1069 PolarHBondContact N-OG1 2.88Å; G1026-G1213 CarbonylContact O-C 3.5Å; G1026-G1213 WeakPolarHBondContact O-CA 3.29Å; G1026-A1214 PolarHBondContact O-N 2.91Å | ||
| 1027 | L | 90.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | trans | -81.7 | 137.6 | 177.1 | -53.9 | -161.9 | 0 | 0 | 0 | 110.4 | I1022 G1025 I1029 Y1068 T1069 A1153 L1154 D1158 | I1022-L1027 HydrophobicContact CD1-CD2 4.33Å; I1022-L1027 HydrophobicContact CG1-CD2 4.31Å; G1025-L1027 VanDerWaalsContact C-N 3.27Å; G1025-L1027 PolarHBondContact O-N 3.21Å; L1027-I1029 PolarHBondContact O-N 2.88Å; L1027-Y1068 WeakPolarHBondContact O-CA 3.44Å; L1027-T1069 HydrophobicContact CB-CG2 4.34Å; L1027-T1069 PolarHBondContact N-OG1 2.79Å; L1027-T1069 PolarHBondContact O-N 2.86Å; L1027-A1153 HydrophobicContact CD1-CB 4.42Å; L1027-L1154 HydrophobicContact CD1-CD2 4.34Å; L1027-L1154 HydrophobicContact CD2-CD2 3.53Å; L1027-D1158 HydrophobicContact CD2-CB 4.42Å | ||
| 1028 | L | 90.3 | Very high | 90 | Very high | 53 Ų | 53 | 31.1 Ų | 31.1 | 28% | 0.277 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 116.5 | 179.6 | -172.8 | 65.1 | 0 | 0 | 0 | 110.9 | K1066 Y1068 R1155 | L1028-K1066 HydrophobicContact CD1-CB 4.07Å; L1028-Y1068 HydrophobicContact CB-CE1 4.31Å; L1028-Y1068 HydrophobicContact CD1-CD1 4.28Å; L1028-Y1068 HydrophobicContact CD1-CE1 3.97Å; L1028-Y1068 HydrophobicContact CD1-CE2 4.24Å; L1028-R1155 PolarHBondContact O-NH2 3.3Å |
| 1029 | I | 90.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 143.9 | 173.4 | 65.8 | 173.4 | 0 | 0 | 0 | 110.8 | V1016 L1027 V1031 M1044 K1066 C1067 T1069 F1114 | V1016-I1029 HydrophobicContact CG1-CD1 3.81Å; L1027-I1029 PolarHBondContact O-N 2.88Å; I1029-V1031 HydrophobicContact CD1-CG2 4.4Å; I1029-V1031 HydrophobicContact CG1-CG2 4.47Å; I1029-M1044 HydrophobicContact CD1-CE 3.53Å; I1029-M1044 HydrophobicContact CD1-SD 3.47Å; I1029-M1044 WeakPolarHBondContact CD1-SD 3.43Å; I1029-M1044 HydrophobicContact CG1-SD 4.5Å; I1029-K1066 WeakPolarHBondContact O-CA 3.35Å; I1029-C1067 HydrophobicContact CD1-CB 4.3Å; I1029-C1067 HydrophobicContact CG1-CB 3.87Å; I1029-C1067 WeakPolarHBondContact CG1-O 3.4Å; I1029-C1067 PolarHBondContact N-O 3.04Å; I1029-C1067 PolarHBondContact O-N 3.23Å; I1029-T1069 HydrophobicContact CD1-CG2 4.35Å; I1029-T1069 HydrophobicContact CG2-CG2 4.03Å; I1029-F1114 HydrophobicContact CD1-CE2 4.18Å; I1029-F1114 HydrophobicContact CD1-CZ 4.1Å; I1029-F1114 HydrophobicContact CG2-CZ 4.32Å |
| 1030 | R | 92.2 | Very high | 90.3 | Very high | 128 Ų | 128 | 32.2 Ų | 32.2 | 48% | 0.483 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 133.8 | 166.5 | -62.2 | 174.3 | -177.4 | 154.3 | -2.4 | 109.1 | S1017 L1064 | S1017-R1030 WeakPolarHBondContact CB-O 3.16Å; S1017-R1030 PolarHBondContact N-O 2.72Å; S1017-R1030 WeakPolarHBondContact OG-CA 2.95Å; S1017-R1030 WeakPolarHBondContact OG-CB 3.35Å; S1017-R1030 PolarHBondContact OG-N 3.1Å; S1017-R1030 PolarHBondContact OG-O 3Å; R1030-L1064 HydrophobicContact CB-CD1 3.96Å; R1030-L1064 HydrophobicContact CG-CD1 4.36Å |
| 1031 | V | 91.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122.4 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 106.6 | V1013 V1016 I1029 F1036 M1042 A1065 C1067 F1094 | V1013-V1031 HydrophobicContact CG1-CG1 3.68Å; V1013-V1031 HydrophobicContact CG2-CG1 4.23Å; V1016-V1031 HydrophobicContact CG2-CG1 4.31Å; V1016-V1031 HydrophobicContact CG2-CG2 4.43Å; I1029-V1031 HydrophobicContact CD1-CG2 4.4Å; I1029-V1031 HydrophobicContact CG1-CG2 4.47Å; V1031-F1036 HydrophobicContact CG1-CE2 4.42Å; V1031-F1036 HydrophobicContact CG1-CZ 4.06Å; V1031-M1042 HydrophobicContact CB-CE 4.31Å; V1031-M1042 HydrophobicContact CG1-CE 4.02Å; V1031-A1065 HydrophobicContact CB-CB 4.47Å; V1031-A1065 PolarHBondContact N-O 2.64Å; V1031-A1065 PolarHBondContact O-N 3.34Å; V1031-C1067 HydrophobicContact CG2-CB 4.39Å; V1031-F1094 HydrophobicContact CB-CZ 4.37Å; V1031-F1094 HydrophobicContact CG1-CE1 4.4Å; V1031-F1094 HydrophobicContact CG1-CE2 4.07Å; V1031-F1094 HydrophobicContact CG1-CZ 3.86Å; V1031-F1094 HydrophobicContact CG2-CE1 3.78Å; V1031-F1094 HydrophobicContact CG2-CZ 3.54Å |
| 1032 | H | 93.2 | Very high | 90.2 | Very high | 70 Ų | 70 | 32.6 Ų | 32.6 | 32% | 0.324 | 16% | 0.158 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 146.1 | 178 | -65.4 | -88.9 | 0 | 0 | 0 | 110.1 | K1014 S1015 D1063 | K1014-H1032 PolarHBondContact N-O 2.89Å; S1015-H1032 PolarHBondContact N-O 3.12Å; S1015-H1032 VanDerWaalsContact N-O 3.13Å; S1015-H1032 PolarHBondContact O-N 2.81Å; H1032-D1063 CarbonylContact C-O 3.48Å; H1032-D1063 VanDerWaalsContact CA-O 3.28Å; H1032-D1063 WeakPolarHBondContact CA-O 3.4Å |
| 1033 | G | 90.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 35.4 Ų | 35.4 | 3% | 0.031 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -170.7 | -140 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I1012 K1014 F1036 D1063 | I1012-G1033 CarbonylContact O-C 3.58Å; I1012-G1033 WeakPolarHBondContact O-CA 3.31Å; K1014-G1033 PolarHBondContact NZ-O 3.41Å; G1033-F1036 VanDerWaalsContact CA-CZ 3.45Å; G1033-D1063 PolarHBondContact N-O 3.42Å |
| 1034 | D | 91.4 | Very high | 90.3 | Very high | 57 Ų | 57 | 35.2 Ų | 35.2 | 31% | 0.305 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 149.8 | 175.4 | -134.3 | -42.1 | 0 | 0 | 0 | 111 | P1011 I1012 K1014 F1036 T1062 | P1011-D1034 VanDerWaalsContact CA-O 3.31Å; P1011-D1034 WeakPolarHBondContact CA-O 3.37Å; I1012-D1034 PolarHBondContact N-O 2.87Å; I1012-D1034 VanDerWaalsContact N-O 3.17Å; I1012-D1034 PolarHBondContact O-N 3.3Å; K1014-D1034 IonicContact NZ-OD2 3.36Å; K1014-D1034 PolarHBondContact NZ-OD2 3.46Å; D1034-F1036 PolarHBondContact O-N 3.21Å; D1034-F1036 VanDerWaalsContact O-N 3.15Å; D1034-T1062 CarbonylContact C-O 3.13Å |
| 1035 | R | 90.9 | Very high | 90.5 | Very high | 48 Ų | 48 | 34.7 Ų | 34.7 | 18% | 0.181 | 17% | 0.165 | C | C | . | . | trans | 51.9 | 28.9 | 175.9 | -58.7 | 175.2 | -72.5 | -113.6 | 10 | 116.2 | E1009 D1010 N1037 L1038 T1062 | E1009-R1035 VanDerWaalsContact CB-NH2 3.3Å; E1009-R1035 WeakPolarHBondContact O-CD 3.31Å; E1009-R1035 PolarHBondContact O-NE 2.82Å; E1009-R1035 IonicContact OE2-CZ 2.69Å; E1009-R1035 IonicContact OE2-NH1 3.77Å; E1009-R1035 PolarHBondContact OE2-NH1 2.9Å; E1009-R1035 IonicContact OE2-NH2 3.33Å; E1009-R1035 PolarHBondContact OE2-NH2 2.92Å; D1010-R1035 PolarHBondContact O-NE 2.88Å; D1010-R1035 VanDerWaalsContact O-NE 3.14Å; D1010-R1035 PolarHBondContact O-NH2 2.94Å; R1035-N1037 VanDerWaalsContact C-OD1 3.25Å; R1035-N1037 WeakPolarHBondContact CA-OD1 3.47Å; R1035-N1037 PolarHBondContact O-N 2.89Å; R1035-N1037 VanDerWaalsContact O-N 3.13Å; R1035-N1037 PolarHBondContact O-OD1 2.85Å; R1035-L1038 HydrophobicContact CB-CD1 3.76Å; R1035-L1038 HydrophobicContact CB-CG 4.09Å; R1035-L1038 HydrophobicContact CG-CD1 4.39Å; R1035-L1038 WeakPolarHBondContact O-CB 3.48Å; R1035-L1038 WeakPolarHBondContact O-CG 3.43Å; R1035-L1038 PolarHBondContact O-N 3.13Å; R1035-T1062 PolarHBondContact N-O 2.79Å | ||
| 1036 | F | 91.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -60.1 | -24 | 178.2 | -66.8 | -21.3 | 0 | 0 | 0 | 113.6 | P1011 I1012 V1013 V1031 G1033 D1034 L1038 V1039 I1059 T1062 A1065 M1096 | P1011-F1036 HydrophobicContact CB-CD1 4.28Å; I1012-F1036 WeakPolarHBondContact O-CE1 2.99Å; V1013-F1036 HydrophobicContact CG2-CE1 4.18Å; V1013-F1036 HydrophobicContact CG2-CZ 4.3Å; V1031-F1036 HydrophobicContact CG1-CE2 4.42Å; V1031-F1036 HydrophobicContact CG1-CZ 4.06Å; G1033-F1036 VanDerWaalsContact CA-CZ 3.45Å; D1034-F1036 PolarHBondContact O-N 3.21Å; D1034-F1036 VanDerWaalsContact O-N 3.15Å; F1036-L1038 PolarHBondContact O-N 2.81Å; F1036-L1038 VanDerWaalsContact O-N 3.16Å; F1036-V1039 WeakPolarHBondContact O-CB 3.35Å; F1036-V1039 PolarHBondContact O-N 3.13Å; F1036-I1059 HydrophobicContact CB-CG1 4.41Å; F1036-I1059 HydrophobicContact CB-CG2 3.94Å; F1036-I1059 WeakPolarHBondContact O-CD1 3.36Å; F1036-T1062 PolarHBondContact N-O 2.98Å; F1036-A1065 HydrophobicContact CD2-CB 4.06Å; F1036-A1065 HydrophobicContact CE2-CB 4.19Å; F1036-M1096 HydrophobicContact CD1-CE 3.95Å; F1036-M1096 HydrophobicContact CE1-CE 3.59Å; F1036-M1096 HydrophobicContact CE1-SD 4.48Å; F1036-M1096 HydrophobicContact CZ-CE 4.33Å |
| 1037 | N | 89.2 | Confident | 90.6 | Very high | 91 Ų | 91 | 38.2 Ų | 38.2 | 49% | 0.487 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | -61 | -15.8 | 172.5 | 64.2 | -55.9 | 0 | 0 | 0 | 114.6 | R1035 V1039 T1062 | R1035-N1037 VanDerWaalsContact C-OD1 3.25Å; R1035-N1037 WeakPolarHBondContact CA-OD1 3.47Å; R1035-N1037 PolarHBondContact O-N 2.89Å; R1035-N1037 VanDerWaalsContact O-N 3.13Å; R1035-N1037 PolarHBondContact O-OD1 2.85Å; N1037-V1039 VanDerWaalsContact C-N 3.29Å; N1037-T1062 HydrophobicContact CB-CG2 4.19Å |
| 1038 | L | 90.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -78.9 | -11.7 | 173.9 | -58 | -179.2 | 0 | 0 | 0 | 113.3 | P934 E1008 E1009 R1035 F1036 | P934-L1038 WeakPolarHBondContact CD-O 3.03Å; E1008-L1038 HydrophobicContact CB-CD1 3.62Å; E1008-L1038 HydrophobicContact CB-CD2 4.26Å; E1008-L1038 HydrophobicContact CG-CD2 4.42Å; E1009-L1038 WeakPolarHBondContact O-CD1 3.01Å; R1035-L1038 HydrophobicContact CB-CD1 3.76Å; R1035-L1038 HydrophobicContact CB-CG 4.09Å; R1035-L1038 HydrophobicContact CG-CD1 4.39Å; R1035-L1038 WeakPolarHBondContact O-CB 3.48Å; R1035-L1038 WeakPolarHBondContact O-CG 3.43Å; R1035-L1038 PolarHBondContact O-N 3.13Å; F1036-L1038 PolarHBondContact O-N 2.81Å; F1036-L1038 VanDerWaalsContact O-N 3.16Å |
| 1039 | V | 89.3 | Confident | 89.5 | Confident | 8 Ų | 8 | 42.6 Ų | 42.6 | 5% | 0.048 | 21% | 0.213 | C | C | . | . | trans | -98.4 | 127 | -177.7 | -177.7 | 0 | 0 | 0 | 0 | 109.6 | P1011 F1036 N1037 M1042 I1059 M1096 | P1011-V1039 HydrophobicContact CB-CG2 4.16Å; P1011-V1039 HydrophobicContact CG-CG2 3.68Å; F1036-V1039 WeakPolarHBondContact O-CB 3.35Å; F1036-V1039 PolarHBondContact O-N 3.13Å; N1037-V1039 VanDerWaalsContact C-N 3.29Å; V1039-M1042 HydrophobicContact CG1-CB 4.05Å; V1039-I1059 HydrophobicContact CB-CD1 4.15Å; V1039-I1059 HydrophobicContact CG1-CD1 4.5Å; V1039-I1059 WeakPolarHBondContact O-CD1 3.32Å; V1039-M1096 HydrophobicContact CG1-CB 4.27Å; V1039-M1096 HydrophobicContact CG1-CG 4.38Å; V1039-M1096 HydrophobicContact CG2-CB 3.82Å; V1039-M1096 HydrophobicContact CG2-CG 4.04Å; V1039-M1096 HydrophobicContact CG2-SD 4.44Å | ||
| 1040 | Q | 86.4 | Confident | 88.8 | Confident | 97 Ų | 97 | 46 Ų | 46 | 45% | 0.453 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -82.7 | -31.6 | -178.4 | -67.5 | 174.9 | -70.2 | 0 | 0 | 113.3 | T940 | T940-Q1040 PolarHBondContact O-NE2 2.95Å; T940-Q1040 PolarHBondContact O-OE1 2.82Å |
| 1041 | D | 87.3 | Confident | 88.3 | Confident | 90 Ų | 90 | 44.9 Ų | 44.9 | 48% | 0.481 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -148.2 | 96.7 | -176.2 | 175.4 | 21.4 | 0 | 0 | 0 | 108.7 | K1043 | D1041-K1043 VanDerWaalsContact CG-NZ 3.25Å; D1041-K1043 WeakPolarHBondContact OD1-CE 3.44Å; D1041-K1043 IonicContact OD1-NZ 2.67Å; D1041-K1043 PolarHBondContact OD1-NZ 3.3Å; D1041-K1043 VanDerWaalsContact OD1-NZ 3.08Å; D1041-K1043 IonicContact OD2-NZ 2.86Å; D1041-K1043 PolarHBondContact OD2-NZ 2.85Å |
| 1042 | M | 91.3 | Very high | 88 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.02 | 26% | 0.263 | C | S | . | . | trans | -90.1 | 130.6 | 178.4 | -177.8 | 178.8 | 170.7 | 0 | 0 | 109.9 | V1031 V1039 C1057 I1059 A1065 F1094 F1095 M1096 | V1031-M1042 HydrophobicContact CB-CE 4.31Å; V1031-M1042 HydrophobicContact CG1-CE 4.02Å; V1039-M1042 HydrophobicContact CG1-CB 4.05Å; M1042-C1057 HydrophobicContact CB-CB 4.15Å; M1042-C1057 HydrophobicContact CG-CB 3.95Å; M1042-C1057 VanDerWaalsContact O-CB 3.26Å; M1042-C1057 WeakPolarHBondContact O-CB 3.21Å; M1042-C1057 PolarHBondContact O-N 3Å; M1042-C1057 HydrophobicContact SD-CB 4.35Å; M1042-I1059 HydrophobicContact CB-CD1 3.97Å; M1042-I1059 HydrophobicContact CB-CG1 4.16Å; M1042-I1059 HydrophobicContact SD-CG1 4.19Å; M1042-A1065 HydrophobicContact CE-CB 3.9Å; M1042-A1065 HydrophobicContact SD-CB 3.53Å; M1042-A1065 VanDerWaalsContact SD-CB 3.53Å; M1042-F1094 HydrophobicContact CE-CB 4.34Å; M1042-F1094 HydrophobicContact CE-CD1 3.4Å; M1042-F1094 VanDerWaalsContact CE-CD1 3.4Å; M1042-F1094 HydrophobicContact CE-CE1 3.79Å; M1042-F1094 HydrophobicContact CE-CG 3.86Å; M1042-F1095 WeakPolarHBondContact CA-O 3.17Å; M1042-M1096 HydrophobicContact CE-CE 3.43Å; M1042-M1096 VanDerWaalsContact CE-CE 3.43Å; M1042-M1096 HydrophobicContact CG-CE 4.29Å; M1042-M1096 HydrophobicContact SD-CE 3.78Å | ||
| 1043 | K | 91.8 | Very high | 87.8 | Confident | 64 Ų | 64 | 45.7 Ų | 45.7 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.9 | 175.3 | -70.5 | 174.2 | 176.3 | 132.7 | 0 | 111.1 | D1041 G1055 F1094 F1095 | D1041-K1043 VanDerWaalsContact CG-NZ 3.25Å; D1041-K1043 WeakPolarHBondContact OD1-CE 3.44Å; D1041-K1043 IonicContact OD1-NZ 2.67Å; D1041-K1043 PolarHBondContact OD1-NZ 3.3Å; D1041-K1043 VanDerWaalsContact OD1-NZ 3.08Å; D1041-K1043 IonicContact OD2-NZ 2.86Å; D1041-K1043 PolarHBondContact OD2-NZ 2.85Å; K1043-G1055 WeakPolarHBondContact CA-O 3.38Å; K1043-F1094 CarbonylContact O-C 3.42Å; K1043-F1094 VanDerWaalsContact O-CA 3.31Å; K1043-F1094 WeakPolarHBondContact O-CA 3.4Å; K1043-F1095 HydrophobicContact CB-CB 4.34Å; K1043-F1095 HydrophobicContact CB-CD2 4.25Å; K1043-F1095 PolarHBondContact N-O 3.06Å; K1043-F1095 PolarHBondContact O-N 2.84Å |
| 1044 | M | 92.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 151.6 | 167.8 | -167.6 | -176.2 | -166.4 | 0 | 0 | 109.1 | I1029 F1046 K1054 G1055 C1057 C1067 Y1092 G1093 F1094 F1114 | I1029-M1044 HydrophobicContact CD1-CE 3.53Å; I1029-M1044 HydrophobicContact CD1-SD 3.47Å; I1029-M1044 WeakPolarHBondContact CD1-SD 3.43Å; I1029-M1044 HydrophobicContact CG1-SD 4.5Å; M1044-F1046 HydrophobicContact CE-CD1 4.4Å; M1044-F1046 HydrophobicContact CE-CE1 3.6Å; M1044-F1046 HydrophobicContact CE-CZ 4.27Å; M1044-F1046 HydrophobicContact SD-CE1 4.35Å; M1044-K1054 CarbonylContact O-C 3.57Å; M1044-K1054 WeakPolarHBondContact O-CA 3.27Å; M1044-G1055 PolarHBondContact N-O 2.74Å; M1044-G1055 PolarHBondContact O-N 2.96Å; M1044-C1057 PolarHBondContact N-SG 2.78Å; M1044-C1057 VanDerWaalsContact N-SG 3.35Å; M1044-C1067 HydrophobicContact CB-CB 4.27Å; M1044-C1067 HydrophobicContact SD-CB 4.49Å; M1044-Y1092 HydrophobicContact CE-CD2 3.45Å; M1044-Y1092 VanDerWaalsContact CE-CD2 3.45Å; M1044-Y1092 HydrophobicContact CE-CE2 3.97Å; M1044-Y1092 HydrophobicContact CE-CG 4.14Å; M1044-G1093 CarbonylContact C-O 3.53Å; M1044-G1093 WeakPolarHBondContact CA-O 3.41Å; M1044-F1094 HydrophobicContact CB-CD1 4Å; M1044-F1094 HydrophobicContact CB-CE1 3.77Å; M1044-F1094 HydrophobicContact CG-CD1 4.19Å; M1044-F1094 HydrophobicContact CG-CE1 3.68Å; M1044-F1094 HydrophobicContact CG-CZ 4.28Å; M1044-F1094 HydrophobicContact SD-CE1 4.45Å; M1044-F1114 HydrophobicContact CE-CD2 3.83Å; M1044-F1114 HydrophobicContact CE-CE2 3.47Å; M1044-F1114 VanDerWaalsContact CE-CE2 3.47Å; M1044-F1114 HydrophobicContact CE-CZ 4Å |
| 1045 | Y | 91.6 | Very high | 87.7 | Confident | 3 Ų | 3 | 48.8 Ų | 48.8 | 1% | 0.012 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.3 | 163.7 | 71.9 | -87.8 | 0 | 0 | 0 | 112.7 | R1047 E1052 T1053 Y1092 G1093 F1095 R1103 | Y1045-R1047 HydrophobicContact CD2-CB 4.44Å; Y1045-R1047 HydrophobicContact CE2-CB 4.25Å; Y1045-E1052 HydrophobicContact CD2-CB 4.41Å; Y1045-E1052 HydrophobicContact CD2-CG 4.11Å; Y1045-E1052 HydrophobicContact CE2-CG 4.29Å; Y1045-T1053 CarbonylContact C-O 3.59Å; Y1045-T1053 WeakPolarHBondContact CA-O 3.29Å; Y1045-T1053 VanDerWaalsContact CB-O 3.26Å; Y1045-T1053 WeakPolarHBondContact CB-O 3.33Å; Y1045-Y1092 VanDerWaalsContact O-CA 3.23Å; Y1045-Y1092 WeakPolarHBondContact O-CA 3.49Å; Y1045-Y1092 WeakPolarHBondContact O-CB 3.38Å; Y1045-G1093 WeakPolarHBondContact CD1-O 3.47Å; Y1045-G1093 PolarHBondContact N-O 2.62Å; Y1045-G1093 PolarHBondContact O-N 2.86Å; Y1045-G1093 VanDerWaalsContact O-N 3.09Å; Y1045-F1095 AromaticContact CD1-CD2 3.57Å; Y1045-F1095 HydrophobicContact CD1-CD2 3.57Å; Y1045-F1095 AromaticContact CD1-CE2 3.2Å; Y1045-F1095 HydrophobicContact CD1-CE2 3.2Å; Y1045-F1095 HydrophobicContact CD1-CG 4.42Å; Y1045-F1095 AromaticContact CD1-CZ 3.8Å; Y1045-F1095 HydrophobicContact CD1-CZ 3.8Å; Y1045-F1095 HydrophobicContact CE1-CD2 4.17Å; Y1045-F1095 HydrophobicContact CE1-CE1 4.44Å; Y1045-F1095 AromaticContact CE1-CE2 3.79Å; Y1045-F1095 HydrophobicContact CE1-CE2 3.79Å; Y1045-F1095 AromaticContact CE1-CZ 3.92Å; Y1045-F1095 HydrophobicContact CE1-CZ 3.92Å; Y1045-F1095 HydrophobicContact CG-CD2 4.33Å; Y1045-F1095 AromaticContact CG-CE2 3.64Å; Y1045-F1095 HydrophobicContact CG-CE2 3.64Å; Y1045-F1095 HydrophobicContact CG-CZ 4.26Å; Y1045-R1103 PolarHBondContact OH-O 2.96Å |
| 1046 | F | 92 | Very high | 87.6 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.009 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 141.9 | 165 | -65.6 | -30.2 | 0 | 0 | 0 | 108.7 | M1044 E1052 T1053 T1069 P1070 V1072 V1090 E1091 F1114 I1116 | M1044-F1046 HydrophobicContact CE-CD1 4.4Å; M1044-F1046 HydrophobicContact CE-CE1 3.6Å; M1044-F1046 HydrophobicContact CE-CZ 4.27Å; M1044-F1046 HydrophobicContact SD-CE1 4.35Å; F1046-E1052 WeakPolarHBondContact O-CA 3.17Å; F1046-T1053 PolarHBondContact N-O 2.78Å; F1046-T1053 PolarHBondContact O-N 3.09Å; F1046-T1069 HydrophobicContact CZ-CG2 4.11Å; F1046-P1070 HydrophobicContact CB-CB 4.49Å; F1046-P1070 HydrophobicContact CB-CG 4.33Å; F1046-P1070 HydrophobicContact CD1-CG 4.27Å; F1046-P1070 HydrophobicContact CD2-CB 3.71Å; F1046-P1070 HydrophobicContact CD2-CG 3.74Å; F1046-P1070 HydrophobicContact CE2-CB 4.22Å; F1046-P1070 HydrophobicContact CE2-CG 4.12Å; F1046-P1070 VanDerWaalsContact CE2-O 3.29Å; F1046-P1070 WeakPolarHBondContact CE2-O 3.35Å; F1046-P1070 HydrophobicContact CG-CB 4.17Å; F1046-P1070 HydrophobicContact CG-CG 3.83Å; F1046-V1072 HydrophobicContact CD2-CG2 3.84Å; F1046-V1072 HydrophobicContact CE2-CG2 4.43Å; F1046-V1090 HydrophobicContact CB-CB 4.47Å; F1046-V1090 HydrophobicContact CB-CG2 3.98Å; F1046-V1090 HydrophobicContact CD1-CG2 3.69Å; F1046-V1090 HydrophobicContact CD2-CG2 4.19Å; F1046-V1090 HydrophobicContact CE1-CG2 4.16Å; F1046-V1090 HydrophobicContact CG-CG2 3.71Å; F1046-E1091 CarbonylContact C-O 3.45Å; F1046-E1091 WeakPolarHBondContact CA-O 3.39Å; F1046-F1114 HydrophobicContact CD1-CB 4.4Å; F1046-F1114 HydrophobicContact CE1-CB 3.79Å; F1046-F1114 AromaticContact CE1-CD1 3.64Å; F1046-F1114 HydrophobicContact CE1-CD1 3.64Å; F1046-F1114 AromaticContact CE1-CD2 3.97Å; F1046-F1114 HydrophobicContact CE1-CD2 3.97Å; F1046-F1114 HydrophobicContact CE1-CE1 4.13Å; F1046-F1114 HydrophobicContact CE1-CE2 4.44Å; F1046-F1114 AromaticContact CE1-CG 3.53Å; F1046-F1114 HydrophobicContact CE1-CG 3.53Å; F1046-F1114 HydrophobicContact CZ-CB 4.38Å; F1046-F1114 AromaticContact CZ-CD1 3.46Å; F1046-F1114 HydrophobicContact CZ-CD1 3.46Å; F1046-F1114 VanDerWaalsContact CZ-CD1 3.46Å; F1046-F1114 AromaticContact CZ-CE1 3.72Å; F1046-F1114 HydrophobicContact CZ-CE1 3.72Å; F1046-F1114 AromaticContact CZ-CG 3.89Å; F1046-F1114 HydrophobicContact CZ-CG 3.89Å; F1046-F1114 HydrophobicContact CZ-CZ 4.37Å; F1046-I1116 HydrophobicContact CD2-CD1 4.11Å; F1046-I1116 HydrophobicContact CE2-CD1 3.54Å; F1046-I1116 HydrophobicContact CZ-CD1 3.81Å |
| 1047 | R | 88.4 | Confident | 87.7 | Confident | 75 Ų | 75 | 53.2 Ų | 53.2 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 121.2 | 172 | 177.5 | -177.4 | -76.5 | 164.6 | -5.6 | 109.2 | Y1045 Q1051 E1052 E1091 | Y1045-R1047 HydrophobicContact CD2-CB 4.44Å; Y1045-R1047 HydrophobicContact CE2-CB 4.25Å; R1047-Q1051 WeakPolarHBondContact CA-O 2.99Å; R1047-E1052 IonicContact CZ-OE1 2.82Å; R1047-E1052 IonicContact NE-OE1 2.88Å; R1047-E1052 IonicContact NH2-OE1 2.69Å; R1047-E1052 PolarHBondContact NH2-OE1 2.81Å; R1047-E1091 HydrophobicContact CB-CB 4.19Å; R1047-E1091 PolarHBondContact N-O 3.44Å; R1047-E1091 IonicContact NH1-OE2 2.69Å; R1047-E1091 PolarHBondContact O-N 2.87Å |
| 1048 | H | 82.5 | Confident | 87.8 | Confident | 47 Ų | 47 | 52.7 Ų | 52.7 | 22% | 0.218 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 136.1 | 175.2 | -177.7 | 69.2 | 0 | 0 | 0 | 109.1 | G1050 Q1051 V1090 | H1048-G1050 PolarHBondContact O-N 2.65Å; H1048-Q1051 PolarHBondContact N-O 3.14Å; H1048-Q1051 VanDerWaalsContact N-O 3.11Å; H1048-Q1051 PolarHBondContact O-N 3.1Å; H1048-V1090 HydrophobicContact CB-CG1 4.11Å |
| 1049 | A | 75.9 | Confident | 87.9 | Confident | 100 Ų | 100 | 55.2 Ų | 55.2 | 83% | 0.826 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 29.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q1051 | A1049-Q1051 VanDerWaalsContact C-N 3.31Å; A1049-Q1051 PolarHBondContact O-N 3.04Å |
| 1050 | G | 75.9 | Confident | 87.9 | Confident | 71 Ų | 71 | 59.8 Ų | 59.8 | 73% | 0.732 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -3.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | H1048 | H1048-G1050 PolarHBondContact O-N 2.65Š|
| 1051 | Q | 81.3 | Confident | 88 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 139.7 | 174.9 | -167.3 | 176.1 | -1.6 | 0 | 0 | 110.8 | R1047 H1048 A1049 | R1047-Q1051 WeakPolarHBondContact CA-O 2.99Å; H1048-Q1051 PolarHBondContact N-O 3.14Å; H1048-Q1051 VanDerWaalsContact N-O 3.11Å; H1048-Q1051 PolarHBondContact O-N 3.1Å; A1049-Q1051 VanDerWaalsContact C-N 3.31Å; A1049-Q1051 PolarHBondContact O-N 3.04Å |
| 1052 | E | 86.6 | Confident | 88.1 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 30% | 0.304 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 113.7 | 177.4 | -68.6 | 178.3 | -180 | 0 | 0 | 110.8 | Y1045 F1046 R1047 | Y1045-E1052 HydrophobicContact CD2-CB 4.41Å; Y1045-E1052 HydrophobicContact CD2-CG 4.11Å; Y1045-E1052 HydrophobicContact CE2-CG 4.29Å; F1046-E1052 WeakPolarHBondContact O-CA 3.17Å; R1047-E1052 IonicContact CZ-OE1 2.82Å; R1047-E1052 IonicContact NE-OE1 2.88Å; R1047-E1052 IonicContact NH2-OE1 2.69Å; R1047-E1052 PolarHBondContact NH2-OE1 2.81Å |
| 1053 | T | 88.4 | Confident | 88.2 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 14% | 0.141 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 137.3 | 172 | 61.9 | 0 | 0 | 0 | 0 | 110.1 | Y1045 F1046 P1070 E1071 Q1073 | Y1045-T1053 CarbonylContact C-O 3.59Å; Y1045-T1053 WeakPolarHBondContact CA-O 3.29Å; Y1045-T1053 VanDerWaalsContact CB-O 3.26Å; Y1045-T1053 WeakPolarHBondContact CB-O 3.33Å; F1046-T1053 PolarHBondContact N-O 2.78Å; F1046-T1053 PolarHBondContact O-N 3.09Å; T1053-P1070 WeakPolarHBondContact O-CB 3.39Å; T1053-P1070 WeakPolarHBondContact O-CG 3.27Å; T1053-P1070 WeakPolarHBondContact OG1-CB 3.47Å; T1053-E1071 WeakPolarHBondContact CB-O 3.41Å; T1053-E1071 WeakPolarHBondContact CG2-O 3.42Å; T1053-E1071 PolarHBondContact OG1-O 3.46Å; T1053-Q1073 HydrophobicContact CG2-CG 4.49Å |
| 1054 | K | 90.5 | Very high | 88.3 | Confident | 118 Ų | 118 | 58.2 Ų | 58.2 | 51% | 0.513 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 134.7 | -166.6 | -57.4 | -173.4 | -174.3 | -169.7 | 0 | 112.1 | M1044 F1095 | M1044-K1054 CarbonylContact O-C 3.57Å; M1044-K1054 WeakPolarHBondContact O-CA 3.27Å; K1054-F1095 HydrophobicContact CD-CD2 4.31Å; K1054-F1095 HydrophobicContact CD-CE2 3.79Å; K1054-F1095 VanDerWaalsContact CE-CE2 3.46Å; K1054-F1095 HydrophobicContact CG-CE2 4.19Å |
| 1055 | G | 88.1 | Confident | 88.3 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 7% | 0.072 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 141.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1043 M1044 Y1068 | K1043-G1055 WeakPolarHBondContact CA-O 3.38Å; M1044-G1055 PolarHBondContact N-O 2.74Å; M1044-G1055 PolarHBondContact O-N 2.96Å; G1055-Y1068 WeakPolarHBondContact CA-O 3.26Å |
| 1056 | L | 90.5 | Very high | 88.4 | Confident | 120 Ų | 120 | 60.6 Ų | 60.6 | 63% | 0.628 | 34% | 0.342 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 136.8 | 178.9 | -66.9 | 167.8 | 0 | 0 | 0 | 110.5 | C1067 Y1068 | L1056-C1067 WeakPolarHBondContact O-CA 3.31Å; L1056-Y1068 PolarHBondContact O-N 3.04Å |
| 1057 | C | 92.5 | Very high | 88.4 | Confident | 20 Ų | 20 | 60.5 Ų | 60.5 | 14% | 0.135 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 150.7 | 166.1 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | M1042 M1044 K1066 C1067 | M1042-C1057 HydrophobicContact CB-CB 4.15Å; M1042-C1057 HydrophobicContact CG-CB 3.95Å; M1042-C1057 VanDerWaalsContact O-CB 3.26Å; M1042-C1057 WeakPolarHBondContact O-CB 3.21Å; M1042-C1057 PolarHBondContact O-N 3Å; M1042-C1057 HydrophobicContact SD-CB 4.35Å; M1044-C1057 PolarHBondContact N-SG 2.78Å; M1044-C1057 VanDerWaalsContact N-SG 3.35Å; C1057-K1066 CarbonylContact C-O 3.56Å; C1057-K1066 WeakPolarHBondContact CA-O 3.48Å; C1057-C1067 HydrophobicContact CB-CB 4.03Å; C1057-C1067 WeakPolarHBondContact CB-SG 3.4Å; C1057-C1067 WeakPolarHBondContact SG-CB 3.38Å; C1057-C1067 CovalentContact SG-SG 2.03Å; C1057-C1067 PolarHBondContact SG-SG 3.24Å |
| 1058 | T | 92.3 | Very high | 88.6 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.1 | 171 | 56.4 | 0 | 0 | 0 | 0 | 108.7 | A1065 K1066 | T1058-A1065 WeakPolarHBondContact O-CA 3.33Å; T1058-K1066 PolarHBondContact N-O 3.39Å; T1058-K1066 PolarHBondContact O-N 3.25Å |
| 1059 | I | 91 | Very high | 89.1 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 127.2 | 175.7 | -63.5 | 156.2 | 0 | 0 | 0 | 108.2 | F1036 V1039 M1042 S1061 A1065 | F1036-I1059 HydrophobicContact CB-CG1 4.41Å; F1036-I1059 HydrophobicContact CB-CG2 3.94Å; F1036-I1059 WeakPolarHBondContact O-CD1 3.36Å; V1039-I1059 HydrophobicContact CB-CD1 4.15Å; V1039-I1059 HydrophobicContact CG1-CD1 4.5Å; V1039-I1059 WeakPolarHBondContact O-CD1 3.32Å; M1042-I1059 HydrophobicContact CB-CD1 3.97Å; M1042-I1059 HydrophobicContact CB-CG1 4.16Å; M1042-I1059 HydrophobicContact SD-CG1 4.19Å; I1059-S1061 VanDerWaalsContact CG2-O 3.28Å; I1059-S1061 WeakPolarHBondContact CG2-O 3.48Å; I1059-A1065 HydrophobicContact CG1-CB 4.31Å |
| 1060 | E | 88.6 | Confident | 89.9 | Confident | 104 Ų | 104 | 54.9 Ų | 54.9 | 49% | 0.486 | 30% | 0.299 | S | S | . | . | trans | -102.4 | -32.7 | 178.7 | -63.9 | -160.3 | 124.7 | 0 | 0 | 112.6 | L1064 K1066 | E1060-L1064 PolarHBondContact N-O 2.78Å; E1060-K1066 VanDerWaalsContact CD-CE 3.46Å; E1060-K1066 HydrophobicContact CG-CD 4.31Å; E1060-K1066 WeakPolarHBondContact OE1-CE 3.49Å; E1060-K1066 IonicContact OE1-NZ 3.69Å; E1060-K1066 PolarHBondContact OE1-NZ 2.7Å; E1060-K1066 WeakPolarHBondContact OE2-CD 3.5Å; E1060-K1066 WeakPolarHBondContact OE2-CE 3.24Å; E1060-K1066 IonicContact OE2-NZ 2.76Å; E1060-K1066 PolarHBondContact OE2-NZ 2.9Å | ||
| 1061 | S | 90.5 | Very high | 90.5 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 29% | 0.287 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -150.4 | -179.6 | 179.7 | 62.7 | 0 | 0 | 0 | 0 | 110.8 | I1059 D1063 L1064 | I1059-S1061 VanDerWaalsContact CG2-O 3.28Å; I1059-S1061 WeakPolarHBondContact CG2-O 3.48Å; S1061-D1063 WeakPolarHBondContact CB-OD1 3.15Å; S1061-D1063 PolarHBondContact O-N 3.34Å; S1061-D1063 PolarHBondContact OG-N 3.01Å; S1061-D1063 PolarHBondContact OG-OD1 3.41Å; S1061-L1064 PolarHBondContact N-O 3.31Å; S1061-L1064 VanDerWaalsContact OG-CB 3.29Å; S1061-L1064 WeakPolarHBondContact OG-CB 3.47Å; S1061-L1064 PolarHBondContact OG-N 2.86Å; S1061-L1064 VanDerWaalsContact OG-N 3.1Å |
| 1062 | T | 89.4 | Confident | 90.8 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -57.5 | -26.4 | 173.7 | 48.7 | 0 | 0 | 0 | 0 | 113.2 | D1034 R1035 F1036 N1037 | D1034-T1062 CarbonylContact C-O 3.13Å; R1035-T1062 PolarHBondContact N-O 2.79Å; F1036-T1062 PolarHBondContact N-O 2.98Å; N1037-T1062 HydrophobicContact CB-CG2 4.19Å |
| 1063 | D | 92.3 | Very high | 90.6 | Very high | 75 Ų | 75 | 55 Ų | 55 | 40% | 0.401 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -120.5 | -7.1 | -170.1 | 67.2 | -46.5 | 0 | 0 | 0 | 114.5 | H1032 G1033 S1061 | H1032-D1063 CarbonylContact C-O 3.48Å; H1032-D1063 VanDerWaalsContact CA-O 3.28Å; H1032-D1063 WeakPolarHBondContact CA-O 3.4Å; G1033-D1063 PolarHBondContact N-O 3.42Å; S1061-D1063 WeakPolarHBondContact CB-OD1 3.15Å; S1061-D1063 PolarHBondContact O-N 3.34Å; S1061-D1063 PolarHBondContact OG-N 3.01Å; S1061-D1063 PolarHBondContact OG-OD1 3.41Å |
| 1064 | L | 93.3 | Very high | 90.3 | Very high | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.168 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.6 | -176.6 | -179 | 64.2 | 0 | 0 | 0 | 112.8 | R1030 E1060 S1061 | R1030-L1064 HydrophobicContact CB-CD1 3.96Å; R1030-L1064 HydrophobicContact CG-CD1 4.36Å; E1060-L1064 PolarHBondContact N-O 2.78Å; S1061-L1064 PolarHBondContact N-O 3.31Å; S1061-L1064 VanDerWaalsContact OG-CB 3.29Å; S1061-L1064 WeakPolarHBondContact OG-CB 3.47Å; S1061-L1064 PolarHBondContact OG-N 2.86Å; S1061-L1064 VanDerWaalsContact OG-N 3.1Å |
| 1065 | A | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 148.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1031 F1036 M1042 T1058 I1059 | V1031-A1065 HydrophobicContact CB-CB 4.47Å; V1031-A1065 PolarHBondContact N-O 2.64Å; V1031-A1065 PolarHBondContact O-N 3.34Å; F1036-A1065 HydrophobicContact CD2-CB 4.06Å; F1036-A1065 HydrophobicContact CE2-CB 4.19Å; M1042-A1065 HydrophobicContact CE-CB 3.9Å; M1042-A1065 HydrophobicContact SD-CB 3.53Å; M1042-A1065 VanDerWaalsContact SD-CB 3.53Å; T1058-A1065 WeakPolarHBondContact O-CA 3.33Å; I1059-A1065 HydrophobicContact CG1-CB 4.31Å |
| 1066 | K | 92.9 | Very high | 88.8 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 23% | 0.23 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 125.5 | 171.2 | -76.2 | 172.2 | 174.3 | 154.9 | 0 | 108.7 | L1028 I1029 C1057 T1058 E1060 | L1028-K1066 HydrophobicContact CD1-CB 4.07Å; I1029-K1066 WeakPolarHBondContact O-CA 3.35Å; C1057-K1066 CarbonylContact C-O 3.56Å; C1057-K1066 WeakPolarHBondContact CA-O 3.48Å; T1058-K1066 PolarHBondContact N-O 3.39Å; T1058-K1066 PolarHBondContact O-N 3.25Å; E1060-K1066 VanDerWaalsContact CD-CE 3.46Å; E1060-K1066 HydrophobicContact CG-CD 4.31Å; E1060-K1066 WeakPolarHBondContact OE1-CE 3.49Å; E1060-K1066 IonicContact OE1-NZ 3.69Å; E1060-K1066 PolarHBondContact OE1-NZ 2.7Å; E1060-K1066 WeakPolarHBondContact OE2-CD 3.5Å; E1060-K1066 WeakPolarHBondContact OE2-CE 3.24Å; E1060-K1066 IonicContact OE2-NZ 2.76Å; E1060-K1066 PolarHBondContact OE2-NZ 2.9Å |
| 1067 | C | 92.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.1 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 110.8 | I1029 V1031 M1044 L1056 C1057 | I1029-C1067 HydrophobicContact CD1-CB 4.3Å; I1029-C1067 HydrophobicContact CG1-CB 3.87Å; I1029-C1067 WeakPolarHBondContact CG1-O 3.4Å; I1029-C1067 PolarHBondContact N-O 3.04Å; I1029-C1067 PolarHBondContact O-N 3.23Å; V1031-C1067 HydrophobicContact CG2-CB 4.39Å; M1044-C1067 HydrophobicContact CB-CB 4.27Å; M1044-C1067 HydrophobicContact SD-CB 4.49Å; L1056-C1067 WeakPolarHBondContact O-CA 3.31Å; C1057-C1067 HydrophobicContact CB-CB 4.03Å; C1057-C1067 WeakPolarHBondContact CB-SG 3.4Å; C1057-C1067 WeakPolarHBondContact SG-CB 3.38Å; C1057-C1067 CovalentContact SG-SG 2.03Å; C1057-C1067 PolarHBondContact SG-SG 3.24Å |
| 1068 | Y | 92.2 | Very high | 86.8 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 38% | 0.38 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 134.5 | 164.4 | -68.2 | -83 | 0 | 0 | 0 | 109.5 | L1027 L1028 G1055 L1056 A1214 | L1027-Y1068 WeakPolarHBondContact O-CA 3.44Å; L1028-Y1068 HydrophobicContact CB-CE1 4.31Å; L1028-Y1068 HydrophobicContact CD1-CD1 4.28Å; L1028-Y1068 HydrophobicContact CD1-CE1 3.97Å; L1028-Y1068 HydrophobicContact CD1-CE2 4.24Å; G1055-Y1068 WeakPolarHBondContact CA-O 3.26Å; L1056-Y1068 PolarHBondContact O-N 3.04Å; Y1068-A1214 HydrophobicContact CD1-CB 3.96Å; Y1068-A1214 HydrophobicContact CE1-CB 3.92Å |
| 1069 | T | 92.2 | Very high | 85.8 | Confident | 4 Ų | 4 | 59.4 Ų | 59.4 | 3% | 0.025 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 134.1 | 176.3 | 54.8 | 0 | 0 | 0 | 0 | 110.6 | S1021 G1026 L1027 I1029 F1046 F1114 | S1021-T1069 WeakPolarHBondContact OG-CB 3.12Å; S1021-T1069 PolarHBondContact OG-OG1 2.87Å; G1026-T1069 PolarHBondContact N-O 2.92Å; G1026-T1069 PolarHBondContact N-OG1 2.88Å; L1027-T1069 HydrophobicContact CB-CG2 4.34Å; L1027-T1069 PolarHBondContact N-OG1 2.79Å; L1027-T1069 PolarHBondContact O-N 2.86Å; I1029-T1069 HydrophobicContact CD1-CG2 4.35Å; I1029-T1069 HydrophobicContact CG2-CG2 4.03Å; F1046-T1069 HydrophobicContact CZ-CG2 4.11Å; T1069-F1114 HydrophobicContact CG2-CE1 3.79Å; T1069-F1114 HydrophobicContact CG2-CZ 3.82Å |
| 1070 | P | 92.7 | Very high | 84.9 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 150.6 | 172.5 | -17.2 | 23.5 | 0 | 0 | 0 | 112.6 | G1025 F1046 T1053 | G1025-P1070 WeakPolarHBondContact CA-O 3.46Å; F1046-P1070 HydrophobicContact CB-CB 4.49Å; F1046-P1070 HydrophobicContact CB-CG 4.33Å; F1046-P1070 HydrophobicContact CD1-CG 4.27Å; F1046-P1070 HydrophobicContact CD2-CB 3.71Å; F1046-P1070 HydrophobicContact CD2-CG 3.74Å; F1046-P1070 HydrophobicContact CE2-CB 4.22Å; F1046-P1070 HydrophobicContact CE2-CG 4.12Å; F1046-P1070 VanDerWaalsContact CE2-O 3.29Å; F1046-P1070 WeakPolarHBondContact CE2-O 3.35Å; F1046-P1070 HydrophobicContact CG-CB 4.17Å; F1046-P1070 HydrophobicContact CG-CG 3.83Å; T1053-P1070 WeakPolarHBondContact O-CB 3.39Å; T1053-P1070 WeakPolarHBondContact O-CG 3.27Å; T1053-P1070 WeakPolarHBondContact OG1-CB 3.47Å |
| 1071 | E | 89.9 | Confident | 84.7 | Confident | 109 Ų | 109 | 59.3 Ų | 59.3 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 144.9 | 163.4 | -176.1 | -176.3 | 173.8 | 0 | 0 | 109.9 | T1053 | T1053-E1071 WeakPolarHBondContact CB-O 3.41Å; T1053-E1071 WeakPolarHBondContact CG2-O 3.42Å; T1053-E1071 PolarHBondContact OG1-O 3.46Å |
| 1072 | V | 86.2 | Confident | 84.4 | Confident | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.042 | 31% | 0.308 | C | S | . | . | trans | -108.1 | 122.1 | 170.5 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | V1023 F1046 L1074 L1088 I1116 | V1023-V1072 WeakPolarHBondContact CG1-O 3.16Å; V1023-V1072 PolarHBondContact O-N 3.4Å; F1046-V1072 HydrophobicContact CD2-CG2 3.84Å; F1046-V1072 HydrophobicContact CE2-CG2 4.43Å; V1072-L1074 HydrophobicContact CG1-CD1 3.68Å; V1072-L1074 HydrophobicContact CG1-CG 4Å; V1072-L1074 PolarHBondContact O-N 3.07Å; V1072-L1088 HydrophobicContact CG1-CD2 4.43Å; V1072-I1116 HydrophobicContact CG2-CD1 4.34Å; V1072-I1116 HydrophobicContact CG2-CG1 4.22Å; V1072-I1116 HydrophobicContact CG2-CG2 4.31Å | ||
| 1073 | Q | 83.8 | Confident | 84 | Confident | 126 Ų | 126 | 58.5 Ų | 58.5 | 59% | 0.589 | 31% | 0.31 | S | S | * | . | trans | -75.3 | 71.1 | -173 | -65.1 | -176.8 | -8.8 | 0 | 0 | 111.9 | T1053 | T1053-Q1073 HydrophobicContact CG2-CG 4.49Š| ||
| 1074 | L | 82.1 | Confident | 83.3 | Confident | 25 Ų | 25 | 56.6 Ų | 56.6 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | trans | -130 | 136.8 | 179.3 | -70.1 | 168.2 | 0 | 0 | 0 | 110.6 | V1023 V1072 D1078 F1080 Y1081 L1088 | V1023-L1074 HydrophobicContact CG1-CB 4.25Å; V1072-L1074 HydrophobicContact CG1-CD1 3.68Å; V1072-L1074 HydrophobicContact CG1-CG 4Å; V1072-L1074 PolarHBondContact O-N 3.07Å; L1074-D1078 WeakPolarHBondContact CA-OD2 3.08Å; L1074-D1078 HydrophobicContact CD2-CB 4.01Å; L1074-F1080 HydrophobicContact CD2-CB 4.35Å; L1074-Y1081 HydrophobicContact CB-CD2 4.07Å; L1074-L1088 HydrophobicContact CD1-CD2 3.44Å; L1074-L1088 VanDerWaalsContact CD1-CD2 3.44Å | ||
| 1075 | Q | 77.2 | Confident | 82.4 | Confident | 144 Ų | 144 | 64.4 Ų | 64.4 | 67% | 0.673 | 34% | 0.34 | S | S | * | . | trans | -107.5 | 152 | 178.5 | -60 | -171.8 | 25.2 | 0 | 0 | 111.6 | G1077 D1078 Y1081 | Q1075-G1077 PolarHBondContact O-N 2.81Å; Q1075-D1078 PolarHBondContact N-OD2 2.92Å; Q1075-D1078 PolarHBondContact O-N 3.49Å; Q1075-Y1081 WeakPolarHBondContact O-CD2 3.37Å | ||
| 1076 | P | 69.1 | Low | 81.8 | Confident | 98 Ų | 98 | 71.3 Ų | 71.3 | 64% | 0.636 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 108.4 | 172.8 | -21.5 | 33.1 | 0 | 0 | 0 | 110.7 | Y1081 | P1076-Y1081 HydrophobicContact CG-CE2 4.04Š|
| 1077 | G | 66.3 | Low | 81.5 | Confident | 75 Ų | 75 | 70.3 Ų | 70.3 | 77% | 0.773 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 124.2 | -16.6 | -173 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1075 | Q1075-G1077 PolarHBondContact O-N 2.81Š|
| 1078 | D | 75.4 | Confident | 81.2 | Confident | 64 Ų | 64 | 71.5 Ų | 71.5 | 34% | 0.342 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -66.8 | 142.6 | 171.1 | -75 | -34.2 | 0 | 0 | 0 | 111 | L1074 Q1075 F1080 Y1081 | L1074-D1078 WeakPolarHBondContact CA-OD2 3.08Å; L1074-D1078 HydrophobicContact CD2-CB 4.01Å; Q1075-D1078 PolarHBondContact N-OD2 2.92Å; Q1075-D1078 PolarHBondContact O-N 3.49Å; D1078-F1080 PolarHBondContact O-N 2.03Å; D1078-Y1081 WeakPolarHBondContact O-CB 3.42Å; D1078-Y1081 PolarHBondContact O-N 3.19Å |
| 1079 | P | 69.6 | Low | 81.1 | Confident | 57 Ų | 57 | 71.5 Ų | 71.5 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.2 | -176.4 | -23.8 | 33.7 | 0 | 0 | 0 | 115.3 | G460 | G460-P1079 WeakPolarHBondContact CA-O 3.34Š|
| 1080 | F | 74 | Confident | 80.8 | Confident | 116 Ų | 116 | 71.4 Ų | 71.4 | 51% | 0.509 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112 | 8.7 | -179.4 | -54.9 | -73.6 | 0 | 0 | 0 | 112.9 | L1074 D1078 | L1074-F1080 HydrophobicContact CD2-CB 4.35Å; D1078-F1080 PolarHBondContact O-N 2.03Å |
| 1081 | Y | 82.9 | Confident | 80.7 | Confident | 44 Ų | 44 | 75 Ų | 75 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | trans | -63.3 | 127.4 | 176.4 | -164.9 | -90.6 | 0 | 0 | 0 | 110.3 | V1023 L1074 Q1075 P1076 D1078 P1118 | V1023-Y1081 HydrophobicContact CB-CE2 4.45Å; V1023-Y1081 HydrophobicContact CG1-CE2 4.14Å; V1023-Y1081 HydrophobicContact CG2-CE2 3.97Å; L1074-Y1081 HydrophobicContact CB-CD2 4.07Å; Q1075-Y1081 WeakPolarHBondContact O-CD2 3.37Å; P1076-Y1081 HydrophobicContact CG-CE2 4.04Å; D1078-Y1081 WeakPolarHBondContact O-CB 3.42Å; D1078-Y1081 PolarHBondContact O-N 3.19Å; Y1081-P1118 HydrophobicContact CE1-CB 4.03Å | ||
| 1082 | P | 83.6 | Confident | 80.7 | Confident | 4 Ų | 4 | 69.8 Ų | 69.8 | 3% | 0.026 | 37% | 0.369 | C | S | . | . | trans | -69.4 | 149.7 | -172.3 | 27.2 | -35.4 | 0 | 0 | 0 | 113.1 | V1023 L1088 I1116 P1118 | V1023-P1082 HydrophobicContact CG2-CG 3.38Å; P1082-L1088 HydrophobicContact CB-CB 3.95Å; P1082-L1088 HydrophobicContact CG-CB 4.46Å; P1082-I1116 WeakPolarHBondContact CB-O 3.41Å; P1082-I1116 HydrophobicContact CG-CG2 4.48Å; P1082-P1118 WeakPolarHBondContact O-CB 3.45Å | ||
| 1083 | L | 82.4 | Confident | 81 | Confident | 95 Ų | 95 | 69.5 Ų | 69.5 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | trans | -109.9 | 159.3 | 174.1 | -66.9 | 171.4 | 0 | 0 | 0 | 110.3 | V459 E1085 R1086 | V459-L1083 HydrophobicContact CG1-CD1 3.99Å; L1083-E1085 PolarHBondContact O-N 3.47Å; L1083-R1086 HydrophobicContact CB-CB 4.48Å; L1083-R1086 PolarHBondContact N-O 3.16Å; L1083-R1086 CarbonylContact O-C 3.48Å; L1083-R1086 PolarHBondContact O-N 2.98Å; L1083-R1086 VanDerWaalsContact O-O 3.12Å | ||
| 1084 | A | 76.7 | Confident | 81.4 | Confident | 35 Ų | 35 | 63.5 Ų | 63.5 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -57.4 | -37.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1149 L1152 | A1084-N1149 WeakPolarHBondContact CB-OD1 3.48Å; A1084-L1152 HydrophobicContact CB-CD1 3.71Å |
| 1085 | E | 75.6 | Confident | 81.7 | Confident | 196 Ų | 196 | 63.7 Ų | 63.7 | 92% | 0.916 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -86.5 | -17.5 | 177.4 | -61.5 | 179.6 | 175 | 0 | 0 | 113.3 | L1083 | L1083-E1085 PolarHBondContact O-N 3.47Š|
| 1086 | R | 79.6 | Confident | 82.3 | Confident | 144 Ų | 144 | 56.9 Ų | 56.9 | 54% | 0.543 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -136 | 82.1 | -177 | -164.9 | 175.8 | -170.6 | 168.2 | 5.7 | 110.1 | V459 L1083 | V459-R1086 VanDerWaalsContact CG2-NH1 3.28Å; L1083-R1086 HydrophobicContact CB-CB 4.48Å; L1083-R1086 PolarHBondContact N-O 3.16Å; L1083-R1086 CarbonylContact O-C 3.48Å; L1083-R1086 PolarHBondContact O-N 2.98Å; L1083-R1086 VanDerWaalsContact O-O 3.12Å |
| 1087 | P | 86.5 | Confident | 83.1 | Confident | 32 Ų | 32 | 53.5 Ų | 53.5 | 21% | 0.208 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 148.5 | 172.1 | 27.2 | -34.6 | 0 | 0 | 0 | 110.6 | L1089 I1116 F1117 | P1087-L1089 PolarHBondContact O-N 3.08Å; P1087-I1116 CarbonylContact C-O 3.58Å; P1087-I1116 VanDerWaalsContact CA-O 3.23Å; P1087-I1116 WeakPolarHBondContact CA-O 3.43Å; P1087-I1116 VanDerWaalsContact CB-O 3.32Å; P1087-I1116 WeakPolarHBondContact CB-O 3.34Å; P1087-F1117 HydrophobicContact CB-CD1 3.93Å; P1087-F1117 HydrophobicContact CB-CD2 4.15Å; P1087-F1117 HydrophobicContact CB-CE1 3.78Å; P1087-F1117 HydrophobicContact CB-CE2 4Å; P1087-F1117 HydrophobicContact CB-CG 4.13Å; P1087-F1117 HydrophobicContact CB-CZ 3.81Å; P1087-F1117 HydrophobicContact CG-CD1 4.46Å; P1087-F1117 HydrophobicContact CG-CE1 3.83Å; P1087-F1117 HydrophobicContact CG-CE2 4.35Å; P1087-F1117 HydrophobicContact CG-CZ 3.77Å |
| 1088 | L | 87.5 | Confident | 84 | Confident | 26 Ų | 26 | 52.4 Ų | 52.4 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 118.7 | 172.1 | 173.2 | 67.5 | 0 | 0 | 0 | 108.2 | V1072 L1074 P1082 V1090 I1116 | V1072-L1088 HydrophobicContact CG1-CD2 4.43Å; L1074-L1088 HydrophobicContact CD1-CD2 3.44Å; L1074-L1088 VanDerWaalsContact CD1-CD2 3.44Å; P1082-L1088 HydrophobicContact CB-CB 3.95Å; P1082-L1088 HydrophobicContact CG-CB 4.46Å; L1088-V1090 HydrophobicContact CD2-CG1 4.05Å; L1088-V1090 HydrophobicContact CG-CG1 3.99Å; L1088-I1116 HydrophobicContact CB-CB 4.25Å; L1088-I1116 PolarHBondContact N-O 2.73Å; L1088-I1116 WeakPolarHBondContact O-CB 3.46Å; L1088-I1116 WeakPolarHBondContact O-CG1 3.25Å; L1088-I1116 PolarHBondContact O-N 3.19Å |
| 1089 | L | 88.8 | Confident | 84.5 | Confident | 96 Ų | 96 | 49.5 Ų | 49.5 | 50% | 0.503 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 124.6 | 173.2 | -62.3 | -178.8 | 0 | 0 | 0 | 109.3 | P1087 P1113 F1114 S1115 | P1087-L1089 PolarHBondContact O-N 3.08Å; L1089-P1113 HydrophobicContact CB-CB 3.93Å; L1089-P1113 HydrophobicContact CD2-CB 4.4Å; L1089-F1114 WeakPolarHBondContact CA-O 3.38Å; L1089-S1115 WeakPolarHBondContact CD2-OG 3.49Å |
| 1090 | V | 87.9 | Confident | 85.1 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 141.6 | 175.8 | -58.7 | 0 | 0 | 0 | 0 | 111.1 | F1046 H1048 L1088 F1114 I1116 | F1046-V1090 HydrophobicContact CB-CB 4.47Å; F1046-V1090 HydrophobicContact CB-CG2 3.98Å; F1046-V1090 HydrophobicContact CD1-CG2 3.69Å; F1046-V1090 HydrophobicContact CD2-CG2 4.19Å; F1046-V1090 HydrophobicContact CE1-CG2 4.16Å; F1046-V1090 HydrophobicContact CG-CG2 3.71Å; H1048-V1090 HydrophobicContact CB-CG1 4.11Å; L1088-V1090 HydrophobicContact CD2-CG1 4.05Å; L1088-V1090 HydrophobicContact CG-CG1 3.99Å; V1090-F1114 HydrophobicContact CG2-CB 3.83Å; V1090-F1114 PolarHBondContact N-O 3.27Å; V1090-F1114 PolarHBondContact O-N 3.45Å; V1090-I1116 HydrophobicContact CB-CG1 4.46Å; V1090-I1116 HydrophobicContact CG1-CG1 3.88Å; V1090-I1116 HydrophobicContact CG2-CD1 3.82Å; V1090-I1116 HydrophobicContact CG2-CG1 3.73Å |
| 1091 | E | 88.9 | Confident | 85.2 | Confident | 78 Ų | 78 | 52.2 Ų | 52.2 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 144.9 | 167.3 | -73 | -178.4 | -175.8 | 0 | 0 | 109.3 | F1046 R1047 S1106 T1107 | F1046-E1091 CarbonylContact C-O 3.45Å; F1046-E1091 WeakPolarHBondContact CA-O 3.39Å; R1047-E1091 HydrophobicContact CB-CB 4.19Å; R1047-E1091 PolarHBondContact N-O 3.44Å; R1047-E1091 IonicContact NH1-OE2 2.69Å; R1047-E1091 PolarHBondContact O-N 2.87Å; E1091-S1106 WeakPolarHBondContact CA-OG 3.41Å; E1091-T1107 HydrophobicContact CG-CG2 3.99Å; E1091-T1107 WeakPolarHBondContact OE1-CG2 3.17Å |
| 1092 | Y | 91.4 | Very high | 85.1 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 0% | 0.004 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 155 | 177.7 | 83.8 | -80.5 | 0 | 0 | 0 | 112.9 | V1016 E1019 M1044 Y1045 F1094 I1105 S1106 F1111 R1112 F1114 | V1016-Y1092 HydrophobicContact CG2-CE2 4.09Å; V1016-Y1092 WeakPolarHBondContact CG2-OH 3.23Å; E1019-Y1092 PolarHBondContact OE1-OH 2.81Å; M1044-Y1092 HydrophobicContact CE-CD2 3.45Å; M1044-Y1092 VanDerWaalsContact CE-CD2 3.45Å; M1044-Y1092 HydrophobicContact CE-CE2 3.97Å; M1044-Y1092 HydrophobicContact CE-CG 4.14Å; Y1045-Y1092 VanDerWaalsContact O-CA 3.23Å; Y1045-Y1092 WeakPolarHBondContact O-CA 3.49Å; Y1045-Y1092 WeakPolarHBondContact O-CB 3.38Å; Y1092-F1094 HydrophobicContact CD2-CE2 4.34Å; Y1092-F1094 HydrophobicContact CD2-CZ 4.46Å; Y1092-F1094 AromaticContact CE2-CE2 3.98Å; Y1092-F1094 HydrophobicContact CE2-CE2 3.98Å; Y1092-F1094 HydrophobicContact CE2-CZ 4.18Å; Y1092-I1105 HydrophobicContact CD2-CD1 3.91Å; Y1092-I1105 HydrophobicContact CD2-CG1 4.47Å; Y1092-I1105 HydrophobicContact CE2-CD1 3.42Å; Y1092-I1105 VanDerWaalsContact CE2-CD1 3.42Å; Y1092-I1105 HydrophobicContact CE2-CG1 4.31Å; Y1092-I1105 WeakPolarHBondContact O-CG1 3.23Å; Y1092-S1106 PolarHBondContact N-OG 3.13Å; Y1092-S1106 PolarHBondContact O-OG 3.36Å; Y1092-F1111 HydrophobicContact CE1-CB 4.34Å; Y1092-F1111 WeakPolarHBondContact OH-CD1 3.43Å; Y1092-R1112 VanDerWaalsContact CE1-O 3.29Å; Y1092-R1112 WeakPolarHBondContact CE1-O 3.34Å; Y1092-F1114 HydrophobicContact CD1-CB 3.93Å; Y1092-F1114 AromaticContact CD1-CD2 3.79Å; Y1092-F1114 HydrophobicContact CD1-CD2 3.79Å; Y1092-F1114 HydrophobicContact CD1-CG 4.36Å; Y1092-F1114 HydrophobicContact CD2-CD2 4.11Å; Y1092-F1114 AromaticContact CE1-CD2 3.83Å; Y1092-F1114 HydrophobicContact CE1-CD2 3.83Å; Y1092-F1114 HydrophobicContact CE2-CD2 4.13Å; Y1092-F1114 HydrophobicContact CE2-CE2 4.39Å; Y1092-F1114 HydrophobicContact CG-CB 4.35Å; Y1092-F1114 AromaticContact CG-CD2 3.92Å; Y1092-F1114 HydrophobicContact CG-CD2 3.92Å; Y1092-F1114 AromaticContact CZ-CD2 3.98Å |
| 1093 | G | 90.9 | Very high | 85.1 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.6 | 174.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113 | M1044 Y1045 R1103 | M1044-G1093 CarbonylContact C-O 3.53Å; M1044-G1093 WeakPolarHBondContact CA-O 3.41Å; Y1045-G1093 WeakPolarHBondContact CD1-O 3.47Å; Y1045-G1093 PolarHBondContact N-O 2.62Å; Y1045-G1093 PolarHBondContact O-N 2.86Å; Y1045-G1093 VanDerWaalsContact O-N 3.09Å; G1093-R1103 VanDerWaalsContact CA-O 3.23Å; G1093-R1103 WeakPolarHBondContact CA-O 3.38Å |
| 1094 | F | 92.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128 | 173.3 | -60.8 | -79.6 | 0 | 0 | 0 | 110.5 | V1013 V1016 V1031 M1042 K1043 M1044 Y1092 M1096 A1102 I1105 | V1013-F1094 HydrophobicContact CG1-CE2 4.12Å; V1013-F1094 HydrophobicContact CG2-CD2 3.74Å; V1013-F1094 HydrophobicContact CG2-CE2 4.1Å; V1013-F1094 HydrophobicContact CG2-CG 4.49Å; V1016-F1094 HydrophobicContact CG2-CE2 4.32Å; V1016-F1094 HydrophobicContact CG2-CZ 4.29Å; V1031-F1094 HydrophobicContact CB-CZ 4.37Å; V1031-F1094 HydrophobicContact CG1-CE1 4.4Å; V1031-F1094 HydrophobicContact CG1-CE2 4.07Å; V1031-F1094 HydrophobicContact CG1-CZ 3.86Å; V1031-F1094 HydrophobicContact CG2-CE1 3.78Å; V1031-F1094 HydrophobicContact CG2-CZ 3.54Å; M1042-F1094 HydrophobicContact CE-CB 4.34Å; M1042-F1094 HydrophobicContact CE-CD1 3.4Å; M1042-F1094 VanDerWaalsContact CE-CD1 3.4Å; M1042-F1094 HydrophobicContact CE-CE1 3.79Å; M1042-F1094 HydrophobicContact CE-CG 3.86Å; K1043-F1094 CarbonylContact O-C 3.42Å; K1043-F1094 VanDerWaalsContact O-CA 3.31Å; K1043-F1094 WeakPolarHBondContact O-CA 3.4Å; M1044-F1094 HydrophobicContact CB-CD1 4Å; M1044-F1094 HydrophobicContact CB-CE1 3.77Å; M1044-F1094 HydrophobicContact CG-CD1 4.19Å; M1044-F1094 HydrophobicContact CG-CE1 3.68Å; M1044-F1094 HydrophobicContact CG-CZ 4.28Å; M1044-F1094 HydrophobicContact SD-CE1 4.45Å; Y1092-F1094 HydrophobicContact CD2-CE2 4.34Å; Y1092-F1094 HydrophobicContact CD2-CZ 4.46Å; Y1092-F1094 AromaticContact CE2-CE2 3.98Å; Y1092-F1094 HydrophobicContact CE2-CE2 3.98Å; Y1092-F1094 HydrophobicContact CE2-CZ 4.18Å; F1094-M1096 HydrophobicContact CB-CE 3.89Å; F1094-M1096 HydrophobicContact CB-CG 4.13Å; F1094-M1096 HydrophobicContact CG-CE 4.27Å; F1094-M1096 PolarHBondContact O-N 3.27Å; F1094-A1102 PolarHBondContact N-O 2.92Å; F1094-A1102 CarbonylContact O-C 3.44Å; F1094-I1105 HydrophobicContact CD2-CD1 3.6Å; F1094-I1105 HydrophobicContact CE2-CD1 3.4Å; F1094-I1105 VanDerWaalsContact CE2-CD1 3.4Å |
| 1095 | F | 89.6 | Confident | 85.1 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 13% | 0.127 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 112 | 163.5 | -68.5 | -76.8 | 0 | 0 | 0 | 108.1 | M1042 K1043 Y1045 K1054 | M1042-F1095 WeakPolarHBondContact CA-O 3.17Å; K1043-F1095 HydrophobicContact CB-CB 4.34Å; K1043-F1095 HydrophobicContact CB-CD2 4.25Å; K1043-F1095 PolarHBondContact N-O 3.06Å; K1043-F1095 PolarHBondContact O-N 2.84Å; Y1045-F1095 AromaticContact CD1-CD2 3.57Å; Y1045-F1095 HydrophobicContact CD1-CD2 3.57Å; Y1045-F1095 AromaticContact CD1-CE2 3.2Å; Y1045-F1095 HydrophobicContact CD1-CE2 3.2Å; Y1045-F1095 HydrophobicContact CD1-CG 4.42Å; Y1045-F1095 AromaticContact CD1-CZ 3.8Å; Y1045-F1095 HydrophobicContact CD1-CZ 3.8Å; Y1045-F1095 HydrophobicContact CE1-CD2 4.17Å; Y1045-F1095 HydrophobicContact CE1-CE1 4.44Å; Y1045-F1095 AromaticContact CE1-CE2 3.79Å; Y1045-F1095 HydrophobicContact CE1-CE2 3.79Å; Y1045-F1095 AromaticContact CE1-CZ 3.92Å; Y1045-F1095 HydrophobicContact CE1-CZ 3.92Å; Y1045-F1095 HydrophobicContact CG-CD2 4.33Å; Y1045-F1095 AromaticContact CG-CE2 3.64Å; Y1045-F1095 HydrophobicContact CG-CE2 3.64Å; Y1045-F1095 HydrophobicContact CG-CZ 4.26Å; K1054-F1095 HydrophobicContact CD-CD2 4.31Å; K1054-F1095 HydrophobicContact CD-CE2 3.79Å; K1054-F1095 VanDerWaalsContact CE-CE2 3.46Å; K1054-F1095 HydrophobicContact CG-CE2 4.19Å |
| 1096 | M | 89.7 | Confident | 85.3 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | trans | -132.3 | 83.8 | 177 | -67.8 | -175 | 176.7 | 0 | 0 | 108.3 | P1011 V1013 F1036 V1039 M1042 F1094 D1098 V1099 A1102 | P1011-M1096 HydrophobicContact CB-SD 4.1Å; P1011-M1096 HydrophobicContact CG-CB 4.28Å; P1011-M1096 HydrophobicContact CG-SD 3.97Å; V1013-M1096 HydrophobicContact CG2-CE 3.49Å; V1013-M1096 VanDerWaalsContact CG2-CE 3.49Å; V1013-M1096 HydrophobicContact CG2-SD 4.4Å; F1036-M1096 HydrophobicContact CD1-CE 3.95Å; F1036-M1096 HydrophobicContact CE1-CE 3.59Å; F1036-M1096 HydrophobicContact CE1-SD 4.48Å; F1036-M1096 HydrophobicContact CZ-CE 4.33Å; V1039-M1096 HydrophobicContact CG1-CB 4.27Å; V1039-M1096 HydrophobicContact CG1-CG 4.38Å; V1039-M1096 HydrophobicContact CG2-CB 3.82Å; V1039-M1096 HydrophobicContact CG2-CG 4.04Å; V1039-M1096 HydrophobicContact CG2-SD 4.44Å; M1042-M1096 HydrophobicContact CE-CE 3.43Å; M1042-M1096 VanDerWaalsContact CE-CE 3.43Å; M1042-M1096 HydrophobicContact CG-CE 4.29Å; M1042-M1096 HydrophobicContact SD-CE 3.78Å; F1094-M1096 HydrophobicContact CB-CE 3.89Å; F1094-M1096 HydrophobicContact CB-CG 4.13Å; F1094-M1096 HydrophobicContact CG-CE 4.27Å; F1094-M1096 PolarHBondContact O-N 3.27Å; M1096-D1098 PolarHBondContact O-N 3.13Å; M1096-V1099 HydrophobicContact CB-CB 4.37Å; M1096-V1099 HydrophobicContact CB-CG2 4.43Å; M1096-V1099 WeakPolarHBondContact O-CB 2.99Å; M1096-V1099 WeakPolarHBondContact O-CG2 3.16Å; M1096-V1099 PolarHBondContact O-N 2.85Å; M1096-A1102 HydrophobicContact CB-CB 4.05Å; M1096-A1102 HydrophobicContact CG-CB 4.06Å; M1096-A1102 HydrophobicContact SD-CB 3.75Å | ||
| 1097 | N | 86.1 | Confident | 84.9 | Confident | 28 Ų | 28 | 38.4 Ų | 38.4 | 15% | 0.15 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | -122.1 | -170.7 | -57.8 | 12.8 | 0 | 0 | 0 | 110.8 | P934 G937 T939 | P934-N1097 HydrophobicContact CG-CB 4.03Å; G937-N1097 VanDerWaalsContact O-CB 3.32Å; G937-N1097 WeakPolarHBondContact O-CB 3.35Å; T939-N1097 WeakPolarHBondContact CA-ND2 3.45Å; T939-N1097 PolarHBondContact OG1-ND2 3Å; T939-N1097 VanDerWaalsContact OG1-ND2 3.14Å |
| 1098 | D | 84.1 | Confident | 84 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 16 | 176.6 | -76 | -29.5 | 0 | 0 | 0 | 114.6 | G937 G938 R976 M1096 P1100 | G937-D1098 PolarHBondContact O-N 2.99Å; G938-D1098 WeakPolarHBondContact CA-OD2 3.45Å; G938-D1098 PolarHBondContact N-OD2 2.84Å; R976-D1098 IonicContact CZ-OD1 3.39Å; R976-D1098 VanDerWaalsContact CZ-OD1 3.31Å; R976-D1098 IonicContact CZ-OD2 3.27Å; R976-D1098 IonicContact NE-OD1 3.57Å; R976-D1098 IonicContact NE-OD2 2.65Å; R976-D1098 PolarHBondContact NE-OD2 2.83Å; R976-D1098 IonicContact NH2-OD1 2.76Å; R976-D1098 PolarHBondContact NH2-OD1 3.19Å; R976-D1098 IonicContact NH2-OD2 2.74Å; R976-D1098 PolarHBondContact NH2-OD2 3.19Å; M1096-D1098 PolarHBondContact O-N 3.13Å; D1098-P1100 VanDerWaalsContact O-CD 3.31Å; D1098-P1100 WeakPolarHBondContact O-CD 3.19Å |
| 1099 | V | 86.8 | Confident | 82.7 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 23% | 0.225 | C | C | . | . | trans | -64.6 | 114.8 | -177.9 | -179.5 | 0 | 0 | 0 | 0 | 110.8 | P934 D1010 P1011 M1096 A1102 | P934-V1099 HydrophobicContact CB-CG2 3.85Å; P934-V1099 HydrophobicContact CG-CG2 4.22Å; D1010-V1099 HydrophobicContact CB-CG1 3.92Å; D1010-V1099 HydrophobicContact CB-CG2 4.14Å; P1011-V1099 HydrophobicContact CG-CG2 3.93Å; M1096-V1099 HydrophobicContact CB-CB 4.37Å; M1096-V1099 HydrophobicContact CB-CG2 4.43Å; M1096-V1099 WeakPolarHBondContact O-CB 2.99Å; M1096-V1099 WeakPolarHBondContact O-CG2 3.16Å; M1096-V1099 PolarHBondContact O-N 2.85Å; V1099-A1102 HydrophobicContact CB-CB 4.22Å; V1099-A1102 HydrophobicContact CG1-CB 3.97Å | ||
| 1100 | P | 81.8 | Confident | 81.7 | Confident | 73 Ų | 73 | 41.2 Ų | 41.2 | 47% | 0.474 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -72.7 | -39.3 | -171.6 | 27.1 | -33.1 | 0 | 0 | 0 | 112.4 | S936 D1098 A1102 R1103 | S936-P1100 VanDerWaalsContact OG-CD 3.32Å; S936-P1100 WeakPolarHBondContact OG-CD 3.35Å; D1098-P1100 VanDerWaalsContact O-CD 3.31Å; D1098-P1100 WeakPolarHBondContact O-CD 3.19Å; P1100-A1102 VanDerWaalsContact C-N 3.3Å; P1100-A1102 PolarHBondContact O-N 2.65Å; P1100-R1103 PolarHBondContact O-N 3.17Å |
| 1101 | F | 76.5 | Confident | 81.3 | Confident | 156 Ų | 156 | 42.6 Ų | 42.6 | 68% | 0.684 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -63 | -33.5 | -179.2 | -68.8 | -78.7 | 0 | 0 | 0 | 113 | R1103 N1104 I1105 | F1101-R1103 VanDerWaalsContact C-N 3.33Å; F1101-R1103 PolarHBondContact O-N 3.31Å; F1101-N1104 PolarHBondContact O-N 2.77Å; F1101-I1105 VanDerWaalsContact O-CG2 3.28Å; F1101-I1105 WeakPolarHBondContact O-CG2 3.32Å |
| 1102 | A | 81.5 | Confident | 81 | Confident | 5 Ų | 5 | 47 Ų | 47 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -70.3 | -25.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1094 M1096 V1099 P1100 | F1094-A1102 PolarHBondContact N-O 2.92Å; F1094-A1102 CarbonylContact O-C 3.44Å; M1096-A1102 HydrophobicContact CB-CB 4.05Å; M1096-A1102 HydrophobicContact CG-CB 4.06Å; M1096-A1102 HydrophobicContact SD-CB 3.75Å; V1099-A1102 HydrophobicContact CB-CB 4.22Å; V1099-A1102 HydrophobicContact CG1-CB 3.97Å; P1100-A1102 VanDerWaalsContact C-N 3.3Å; P1100-A1102 PolarHBondContact O-N 2.65Å |
| 1103 | R | 83.3 | Confident | 80.7 | Confident | 100 Ų | 100 | 48.2 Ų | 48.2 | 38% | 0.377 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 176.1 | -79.2 | -171.3 | 175.2 | -144.5 | 5.9 | 112.7 | Y1045 G1093 P1100 F1101 | Y1045-R1103 PolarHBondContact OH-O 2.96Å; G1093-R1103 VanDerWaalsContact CA-O 3.23Å; G1093-R1103 WeakPolarHBondContact CA-O 3.38Å; P1100-R1103 PolarHBondContact O-N 3.17Å; F1101-R1103 VanDerWaalsContact C-N 3.33Å; F1101-R1103 PolarHBondContact O-N 3.31Å |
| 1104 | N | 75 | Confident | 80.6 | Confident | 53 Ų | 53 | 48.2 Ų | 48.2 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 35 | -166.5 | -74.4 | 1 | 0 | 0 | 0 | 112.8 | F1101 S1106 T1107 H1108 | F1101-N1104 PolarHBondContact O-N 2.77Å; N1104-S1106 VanDerWaalsContact C-N 3.31Å; N1104-S1106 PolarHBondContact O-N 2.79Å; N1104-T1107 WeakPolarHBondContact CB-OG1 3.44Å; N1104-T1107 PolarHBondContact O-N 3.18Å; N1104-T1107 PolarHBondContact O-OG1 2.68Å; N1104-H1108 PolarHBondContact O-N 3.33Å |
| 1105 | I | 83.5 | Confident | 80.6 | Confident | 7 Ų | 7 | 49.4 Ų | 49.4 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -32.1 | -173.7 | 56.7 | 167.6 | 0 | 0 | 0 | 114.1 | Y1092 F1094 F1101 T1107 G1109 F1111 | Y1092-I1105 HydrophobicContact CD2-CD1 3.91Å; Y1092-I1105 HydrophobicContact CD2-CG1 4.47Å; Y1092-I1105 HydrophobicContact CE2-CD1 3.42Å; Y1092-I1105 VanDerWaalsContact CE2-CD1 3.42Å; Y1092-I1105 HydrophobicContact CE2-CG1 4.31Å; Y1092-I1105 WeakPolarHBondContact O-CG1 3.23Å; F1094-I1105 HydrophobicContact CD2-CD1 3.6Å; F1094-I1105 HydrophobicContact CE2-CD1 3.4Å; F1094-I1105 VanDerWaalsContact CE2-CD1 3.4Å; F1101-I1105 VanDerWaalsContact O-CG2 3.28Å; F1101-I1105 WeakPolarHBondContact O-CG2 3.32Å; I1105-T1107 VanDerWaalsContact C-N 3.3Å; I1105-T1107 PolarHBondContact O-N 2.96Å; I1105-G1109 CarbonylContact O-C 3.46Å; I1105-G1109 WeakPolarHBondContact O-CA 3.31Å; I1105-G1109 PolarHBondContact O-N 3.11Å; I1105-F1111 HydrophobicContact CB-CD2 3.83Å; I1105-F1111 HydrophobicContact CB-CE2 4.34Å; I1105-F1111 HydrophobicContact CB-CG 4.34Å; I1105-F1111 HydrophobicContact CD1-CG 4.38Å |
| 1106 | S | 80.2 | Confident | 80.7 | Confident | 14 Ų | 14 | 48 Ų | 48 | 10% | 0.098 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -78.8 | -10.3 | 177.2 | 67.7 | 0 | 0 | 0 | 0 | 114 | E1091 Y1092 N1104 | E1091-S1106 WeakPolarHBondContact CA-OG 3.41Å; Y1092-S1106 PolarHBondContact N-OG 3.13Å; Y1092-S1106 PolarHBondContact O-OG 3.36Å; N1104-S1106 VanDerWaalsContact C-N 3.31Å; N1104-S1106 PolarHBondContact O-N 2.79Å |
| 1107 | T | 71.8 | Confident | 80.8 | Confident | 49 Ų | 49 | 48.9 Ų | 48.9 | 30% | 0.301 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -114.8 | -20.7 | 178.9 | 46.8 | 0 | 0 | 0 | 0 | 113.7 | E1091 N1104 I1105 | E1091-T1107 HydrophobicContact CG-CG2 3.99Å; E1091-T1107 WeakPolarHBondContact OE1-CG2 3.17Å; N1104-T1107 WeakPolarHBondContact CB-OG1 3.44Å; N1104-T1107 PolarHBondContact O-N 3.18Å; N1104-T1107 PolarHBondContact O-OG1 2.68Å; I1105-T1107 VanDerWaalsContact C-N 3.3Å; I1105-T1107 PolarHBondContact O-N 2.96Å |
| 1108 | H | 66 | Low | 80.9 | Confident | 120 Ų | 120 | 48 Ų | 48 | 56% | 0.556 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -137 | 0.9 | -175.1 | -60.1 | 71.6 | 0 | 0 | 0 | 113.6 | N1104 | N1104-H1108 PolarHBondContact O-N 3.33Å |
| 1109 | G | 60.4 | Low | 81.2 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -114.5 | 1.2 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1105 F1111 | I1105-G1109 CarbonylContact O-C 3.46Å; I1105-G1109 WeakPolarHBondContact O-CA 3.31Å; I1105-G1109 PolarHBondContact O-N 3.11Å; G1109-F1111 VanDerWaalsContact O-CD2 3.24Å; G1109-F1111 WeakPolarHBondContact O-CD2 3.15Å; G1109-F1111 PolarHBondContact O-N 2.84Å |
| 1110 | G | 67.4 | Low | 81.3 | Confident | 55 Ų | 55 | 45.8 Ų | 45.8 | 57% | 0.567 | 25% | 0.245 | S | C | * | . | S | Bend | trans | 71.5 | 7.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 1111 | F | 79.6 | Confident | 81.6 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 14% | 0.14 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -79.8 | 147.4 | 170.2 | -67.2 | -100.2 | 0 | 0 | 0 | 109.9 | V1013 V1016 Y1092 I1105 G1109 | V1013-F1111 HydrophobicContact CB-CZ 4.28Å; V1013-F1111 HydrophobicContact CG1-CE1 3.94Å; V1013-F1111 HydrophobicContact CG1-CZ 3.75Å; V1013-F1111 WeakPolarHBondContact O-CZ 3.38Å; V1016-F1111 HydrophobicContact CG2-CD1 4.36Å; V1016-F1111 HydrophobicContact CG2-CE1 4.19Å; Y1092-F1111 HydrophobicContact CE1-CB 4.34Å; Y1092-F1111 WeakPolarHBondContact OH-CD1 3.43Å; I1105-F1111 HydrophobicContact CB-CD2 3.83Å; I1105-F1111 HydrophobicContact CB-CE2 4.34Å; I1105-F1111 HydrophobicContact CB-CG 4.34Å; I1105-F1111 HydrophobicContact CD1-CG 4.38Å; G1109-F1111 VanDerWaalsContact O-CD2 3.24Å; G1109-F1111 WeakPolarHBondContact O-CD2 3.15Å; G1109-F1111 PolarHBondContact O-N 2.84Å |
| 1112 | R | 82.9 | Confident | 82.2 | Confident | 170 Ų | 170 | 40.9 Ų | 40.9 | 64% | 0.642 | 22% | 0.218 | S | C | * | . | P | Polyproline II helix | trans | -82 | 149 | -179.3 | -61.9 | 177.6 | 175.3 | -165.9 | -2.7 | 110.4 | E1019 Y1092 F1114 | E1019-R1112 PolarHBondContact OE1-N 2.82Å; Y1092-R1112 VanDerWaalsContact CE1-O 3.29Å; Y1092-R1112 WeakPolarHBondContact CE1-O 3.34Å; R1112-F1114 PolarHBondContact O-N 2.87Å |
| 1113 | P | 86 | Confident | 82.3 | Confident | 26 Ų | 26 | 44.6 Ų | 44.6 | 17% | 0.169 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -51.5 | 140.4 | 169.3 | -27.7 | 36.1 | 0 | 0 | 0 | 112.4 | L1089 S1115 | L1089-P1113 HydrophobicContact CB-CB 3.93Å; L1089-P1113 HydrophobicContact CD2-CB 4.4Å; P1113-S1115 PolarHBondContact O-N 2.98Å |
| 1114 | F | 89.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.1 | -175 | -141.5 | -87.9 | 0 | 0 | 0 | 109.8 | V1016 S1018 E1019 K1020 I1029 M1044 F1046 T1069 L1089 V1090 Y1092 R1112 I1116 | V1016-F1114 HydrophobicContact CG1-CE2 4.32Å; S1018-F1114 WeakPolarHBondContact O-CE2 3.38Å; S1018-F1114 WeakPolarHBondContact O-CZ 3.39Å; E1019-F1114 HydrophobicContact CB-CD2 4.31Å; E1019-F1114 HydrophobicContact CB-CE2 4.41Å; K1020-F1114 WeakPolarHBondContact O-CE1 3.39Å; I1029-F1114 HydrophobicContact CD1-CE2 4.18Å; I1029-F1114 HydrophobicContact CD1-CZ 4.1Å; I1029-F1114 HydrophobicContact CG2-CZ 4.32Å; M1044-F1114 HydrophobicContact CE-CD2 3.83Å; M1044-F1114 HydrophobicContact CE-CE2 3.47Å; M1044-F1114 VanDerWaalsContact CE-CE2 3.47Å; M1044-F1114 HydrophobicContact CE-CZ 4Å; F1046-F1114 HydrophobicContact CD1-CB 4.4Å; F1046-F1114 HydrophobicContact CE1-CB 3.79Å; F1046-F1114 AromaticContact CE1-CD1 3.64Å; F1046-F1114 HydrophobicContact CE1-CD1 3.64Å; F1046-F1114 AromaticContact CE1-CD2 3.97Å; F1046-F1114 HydrophobicContact CE1-CD2 3.97Å; F1046-F1114 HydrophobicContact CE1-CE1 4.13Å; F1046-F1114 HydrophobicContact CE1-CE2 4.44Å; F1046-F1114 AromaticContact CE1-CG 3.53Å; F1046-F1114 HydrophobicContact CE1-CG 3.53Å; F1046-F1114 HydrophobicContact CZ-CB 4.38Å; F1046-F1114 AromaticContact CZ-CD1 3.46Å; F1046-F1114 HydrophobicContact CZ-CD1 3.46Å; F1046-F1114 VanDerWaalsContact CZ-CD1 3.46Å; F1046-F1114 AromaticContact CZ-CE1 3.72Å; F1046-F1114 HydrophobicContact CZ-CE1 3.72Å; F1046-F1114 AromaticContact CZ-CG 3.89Å; F1046-F1114 HydrophobicContact CZ-CG 3.89Å; F1046-F1114 HydrophobicContact CZ-CZ 4.37Å; T1069-F1114 HydrophobicContact CG2-CE1 3.79Å; T1069-F1114 HydrophobicContact CG2-CZ 3.82Å; L1089-F1114 WeakPolarHBondContact CA-O 3.38Å; V1090-F1114 HydrophobicContact CG2-CB 3.83Å; V1090-F1114 PolarHBondContact N-O 3.27Å; V1090-F1114 PolarHBondContact O-N 3.45Å; Y1092-F1114 HydrophobicContact CD1-CB 3.93Å; Y1092-F1114 AromaticContact CD1-CD2 3.79Å; Y1092-F1114 HydrophobicContact CD1-CD2 3.79Å; Y1092-F1114 HydrophobicContact CD1-CG 4.36Å; Y1092-F1114 HydrophobicContact CD2-CD2 4.11Å; Y1092-F1114 AromaticContact CE1-CD2 3.83Å; Y1092-F1114 HydrophobicContact CE1-CD2 3.83Å; Y1092-F1114 HydrophobicContact CE2-CD2 4.13Å; Y1092-F1114 HydrophobicContact CE2-CE2 4.39Å; Y1092-F1114 HydrophobicContact CG-CB 4.35Å; Y1092-F1114 AromaticContact CG-CD2 3.92Å; Y1092-F1114 HydrophobicContact CG-CD2 3.92Å; Y1092-F1114 AromaticContact CZ-CD2 3.98Å; R1112-F1114 PolarHBondContact O-N 2.87Å; F1114-I1116 HydrophobicContact CD1-CD1 4.06Å |
| 1115 | S | 91.9 | Very high | 82.8 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 18% | 0.182 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 109.3 | -176.2 | -63.2 | 0 | 0 | 0 | 0 | 111.6 | E1019 K1020 S1021 L1089 P1113 | E1019-S1115 PolarHBondContact O-N 3.31Å; K1020-S1115 CarbonylContact C-O 3.52Å; K1020-S1115 VanDerWaalsContact CA-O 3.31Å; K1020-S1115 WeakPolarHBondContact CA-O 3.41Å; S1021-S1115 PolarHBondContact N-O 2.72Å; L1089-S1115 WeakPolarHBondContact CD2-OG 3.49Å; P1113-S1115 PolarHBondContact O-N 2.98Å |
| 1116 | I | 91.1 | Very high | 82.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.7 | 177.2 | -45.5 | -59.9 | 0 | 0 | 0 | 109.4 | S1021 V1023 F1046 V1072 P1082 P1087 L1088 V1090 F1114 | S1021-I1116 WeakPolarHBondContact O-CA 3.24Å; V1023-I1116 HydrophobicContact CG2-CG2 4.12Å; F1046-I1116 HydrophobicContact CD2-CD1 4.11Å; F1046-I1116 HydrophobicContact CE2-CD1 3.54Å; F1046-I1116 HydrophobicContact CZ-CD1 3.81Å; V1072-I1116 HydrophobicContact CG2-CD1 4.34Å; V1072-I1116 HydrophobicContact CG2-CG1 4.22Å; V1072-I1116 HydrophobicContact CG2-CG2 4.31Å; P1082-I1116 WeakPolarHBondContact CB-O 3.41Å; P1082-I1116 HydrophobicContact CG-CG2 4.48Å; P1087-I1116 CarbonylContact C-O 3.58Å; P1087-I1116 VanDerWaalsContact CA-O 3.23Å; P1087-I1116 WeakPolarHBondContact CA-O 3.43Å; P1087-I1116 VanDerWaalsContact CB-O 3.32Å; P1087-I1116 WeakPolarHBondContact CB-O 3.34Å; L1088-I1116 HydrophobicContact CB-CB 4.25Å; L1088-I1116 PolarHBondContact N-O 2.73Å; L1088-I1116 WeakPolarHBondContact O-CB 3.46Å; L1088-I1116 WeakPolarHBondContact O-CG1 3.25Å; L1088-I1116 PolarHBondContact O-N 3.19Å; V1090-I1116 HydrophobicContact CB-CG1 4.46Å; V1090-I1116 HydrophobicContact CG1-CG1 3.88Å; V1090-I1116 HydrophobicContact CG2-CD1 3.82Å; V1090-I1116 HydrophobicContact CG2-CG1 3.73Å; F1114-I1116 HydrophobicContact CD1-CD1 4.06Å |
| 1117 | F | 90.8 | Very high | 81.4 | Confident | 18 Ų | 18 | 55.3 Ų | 55.3 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 160.1 | 176.2 | -69.8 | -90.6 | 0 | 0 | 0 | 110.8 | K1020 S1021 I1022 V1023 P1087 L1152 A1153 | K1020-F1117 HydrophobicContact CB-CE2 4.36Å; K1020-F1117 HydrophobicContact CD-CE2 3.83Å; K1020-F1117 HydrophobicContact CD-CZ 4.49Å; K1020-F1117 HydrophobicContact CG-CE2 3.97Å; S1021-F1117 PolarHBondContact O-N 3.35Å; I1022-F1117 CarbonylContact C-O 3.53Å; I1022-F1117 VanDerWaalsContact CA-O 3.32Å; I1022-F1117 WeakPolarHBondContact CA-O 3.43Å; V1023-F1117 PolarHBondContact N-O 2.86Å; V1023-F1117 VanDerWaalsContact N-O 3.13Å; P1087-F1117 HydrophobicContact CB-CD1 3.93Å; P1087-F1117 HydrophobicContact CB-CD2 4.15Å; P1087-F1117 HydrophobicContact CB-CE1 3.78Å; P1087-F1117 HydrophobicContact CB-CE2 4Å; P1087-F1117 HydrophobicContact CB-CG 4.13Å; P1087-F1117 HydrophobicContact CB-CZ 3.81Å; P1087-F1117 HydrophobicContact CG-CD1 4.46Å; P1087-F1117 HydrophobicContact CG-CE1 3.83Å; P1087-F1117 HydrophobicContact CG-CE2 4.35Å; P1087-F1117 HydrophobicContact CG-CZ 3.77Å; F1117-L1152 HydrophobicContact CB-CB 4.25Å; F1117-L1152 HydrophobicContact CD1-CB 3.79Å; F1117-L1152 HydrophobicContact CD1-CD1 3.93Å; F1117-L1152 HydrophobicContact CD1-CG 4.42Å; F1117-L1152 HydrophobicContact CE1-CB 4.33Å; F1117-L1152 HydrophobicContact CG-CB 3.99Å; F1117-A1153 HydrophobicContact CB-CB 4.37Å; F1117-A1153 HydrophobicContact CD2-CB 3.88Å; F1117-A1153 HydrophobicContact CG-CB 4.39Å |
| 1118 | P | 90 | Very high | 80.5 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 151 | 169.5 | 24.6 | -34 | 0 | 0 | 0 | 111.1 | Y1081 P1082 | Y1081-P1118 HydrophobicContact CE1-CB 4.03Å; P1082-P1118 WeakPolarHBondContact O-CB 3.45Å |
| 1119 | D | 88.4 | Confident | 79.7 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 4% | 0.037 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 142.9 | 168.5 | -63.1 | -36.7 | 0 | 0 | 0 | 109.2 | I1022 V1023 S1024 R1217 | I1022-D1119 VanDerWaalsContact CB-OD1 3.27Å; I1022-D1119 WeakPolarHBondContact CB-OD1 3.28Å; I1022-D1119 WeakPolarHBondContact CD1-OD1 3.22Å; I1022-D1119 WeakPolarHBondContact CG1-OD1 3.42Å; V1023-D1119 PolarHBondContact N-OD1 3.14Å; S1024-D1119 WeakPolarHBondContact CB-OD1 3.27Å; S1024-D1119 PolarHBondContact N-OD1 2.83Å; S1024-D1119 PolarHBondContact OG-OD1 2.66Å; S1024-D1119 PolarHBondContact OG-OD2 2.93Å; D1119-R1217 WeakPolarHBondContact OD2-CD 3.1Å; D1119-R1217 IonicContact OD2-CZ 2.75Å; D1119-R1217 IonicContact OD2-NE 3.71Å; D1119-R1217 IonicContact OD2-NH1 3.16Å; D1119-R1217 PolarHBondContact OD2-NH1 2.75Å |
| 1120 | P | 89.1 | Confident | 79.1 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -69.6 | 152.6 | -175.5 | 33.5 | -40.7 | 0 | 0 | 0 | 111.7 | F1122 I1150 L1154 L1212 Y1219 | P1120-F1122 HydrophobicContact CB-CE2 4.31Å; P1120-F1122 HydrophobicContact CB-CZ 4.28Å; P1120-F1122 HydrophobicContact CG-CE2 3.85Å; P1120-F1122 HydrophobicContact CG-CZ 4.01Å; P1120-I1150 HydrophobicContact CB-CG1 4.26Å; P1120-L1154 HydrophobicContact CB-CD1 4.43Å; P1120-L1154 HydrophobicContact CG-CD1 3.65Å; P1120-L1212 HydrophobicContact CG-CD1 3.47Å; P1120-L1212 VanDerWaalsContact CG-CD1 3.47Å; P1120-L1212 HydrophobicContact CG-CD2 4.35Å; P1120-Y1219 VanDerWaalsContact O-CZ 3.23Å; P1120-Y1219 PolarHBondContact O-OH 2.91Å |
| 1121 | E | 88.1 | Confident | 78.4 | Confident | 114 Ų | 114 | 61.6 Ų | 61.6 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 134.8 | 176.9 | -63.6 | 177.9 | 165 | 0 | 0 | 109.2 | G1147 N1148 | E1121-G1147 CarbonylContact O-C 3.59Å; E1121-G1147 WeakPolarHBondContact O-CA 3.4Å; E1121-N1148 PolarHBondContact N-O 2.91Å; E1121-N1148 PolarHBondContact O-N 3.43Å |
| 1122 | F | 89.1 | Confident | 77.5 | Confident | 13 Ų | 13 | 66.1 Ų | 66.1 | 6% | 0.057 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 138.8 | 177.7 | -63.1 | -76.6 | 0 | 0 | 0 | 111.2 | P1120 I1145 I1150 V1178 V1210 L1212 Y1219 I1221 | P1120-F1122 HydrophobicContact CB-CE2 4.31Å; P1120-F1122 HydrophobicContact CB-CZ 4.28Å; P1120-F1122 HydrophobicContact CG-CE2 3.85Å; P1120-F1122 HydrophobicContact CG-CZ 4.01Å; F1122-I1145 HydrophobicContact CB-CG2 4.44Å; F1122-I1145 HydrophobicContact CD1-CG2 4.05Å; F1122-I1150 HydrophobicContact CD1-CD1 4.13Å; F1122-I1150 HydrophobicContact CD1-CG1 4.47Å; F1122-I1150 HydrophobicContact CE1-CD1 3.85Å; F1122-I1150 HydrophobicContact CE1-CG1 3.95Å; F1122-I1150 HydrophobicContact CE1-CG2 4.2Å; F1122-I1150 HydrophobicContact CZ-CG2 4.45Å; F1122-V1178 HydrophobicContact CE1-CG2 3.76Å; F1122-V1210 HydrophobicContact CD2-CG1 4.45Å; F1122-V1210 HydrophobicContact CE1-CG1 4.24Å; F1122-V1210 HydrophobicContact CE2-CB 4.41Å; F1122-V1210 HydrophobicContact CE2-CG1 3.82Å; F1122-V1210 HydrophobicContact CZ-CG1 3.71Å; F1122-L1212 HydrophobicContact CE2-CD1 4.47Å; F1122-L1212 HydrophobicContact CE2-CD2 4.2Å; F1122-L1212 HydrophobicContact CZ-CD2 4.22Å; F1122-Y1219 HydrophobicContact CD2-CD1 4.27Å; F1122-Y1219 AromaticContact CD2-CD2 3.59Å; F1122-Y1219 HydrophobicContact CD2-CD2 3.59Å; F1122-Y1219 AromaticContact CD2-CE2 3.92Å; F1122-Y1219 HydrophobicContact CD2-CE2 3.92Å; F1122-Y1219 AromaticContact CD2-CG 3.76Å; F1122-Y1219 HydrophobicContact CD2-CG 3.76Å; F1122-Y1219 AromaticContact CE2-CD2 3.74Å; F1122-Y1219 HydrophobicContact CE2-CD2 3.74Å; F1122-Y1219 AromaticContact CE2-CE2 3.93Å; F1122-Y1219 HydrophobicContact CE2-CE2 3.93Å; F1122-Y1219 HydrophobicContact CE2-CG 4.37Å; F1122-I1221 HydrophobicContact CB-CD1 3.55Å; F1122-I1221 HydrophobicContact CG-CD1 4.23Å |
| 1123 | D | 85.4 | Confident | 76.5 | Confident | 83 Ų | 83 | 61.4 Ų | 61.4 | 44% | 0.444 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -76.3 | 124.6 | 175 | -69.2 | -22.3 | 0 | 0 | 0 | 110.1 | N1146 | D1123-N1146 HydrophobicContact CB-CB 4.01Å; D1123-N1146 PolarHBondContact N-O 3.46Å; D1123-N1146 WeakPolarHBondContact OD2-CB 3.25Å |
| 1124 | F | 84.6 | Confident | 75.7 | Confident | 134 Ų | 134 | 61.8 Ų | 61.8 | 59% | 0.588 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 152 | 168.7 | -54.8 | -81.6 | 0 | 0 | 0 | 111.1 | T1220 I1221 | F1124-T1220 VanDerWaalsContact CD1-O 3.31Å; F1124-T1220 WeakPolarHBondContact CD1-O 3.44Å; F1124-T1220 VanDerWaalsContact CE1-O 3.27Å; F1124-T1220 WeakPolarHBondContact CE1-O 3.41Å; F1124-I1221 WeakPolarHBondContact CA-O 3.46Å |
| 1125 | F | 82.4 | Confident | 75 | Confident | 15 Ų | 15 | 62.7 Ų | 62.7 | 7% | 0.066 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 143.1 | 175.3 | -56.8 | -31.8 | 0 | 0 | 0 | 111 | P1134 K1136 L1143 V1208 I1221 | F1125-P1134 HydrophobicContact CB-CB 4.03Å; F1125-P1134 WeakPolarHBondContact O-CB 3.21Å; F1125-K1136 HydrophobicContact CB-CB 4.13Å; F1125-K1136 HydrophobicContact CD1-CB 4.14Å; F1125-K1136 HydrophobicContact CD1-CD 3.57Å; F1125-K1136 HydrophobicContact CD1-CG 4.49Å; F1125-K1136 HydrophobicContact CD2-CB 3.44Å; F1125-K1136 VanDerWaalsContact CD2-CB 3.44Å; F1125-K1136 HydrophobicContact CD2-CD 4.33Å; F1125-K1136 HydrophobicContact CE1-CB 4.41Å; F1125-K1136 HydrophobicContact CE1-CD 3.5Å; F1125-K1136 HydrophobicContact CE2-CB 3.77Å; F1125-K1136 HydrophobicContact CE2-CD 4.28Å; F1125-K1136 HydrophobicContact CG-CB 3.65Å; F1125-K1136 HydrophobicContact CG-CD 4.01Å; F1125-K1136 HydrophobicContact CG-CG 4.46Å; F1125-K1136 HydrophobicContact CZ-CB 4.24Å; F1125-K1136 HydrophobicContact CZ-CD 3.89Å; F1125-L1143 HydrophobicContact CE1-CD1 4.45Å; F1125-L1143 HydrophobicContact CZ-CD1 4.1Å; F1125-V1208 HydrophobicContact CE2-CB 4.2Å; F1125-V1208 HydrophobicContact CE2-CG2 3.8Å; F1125-V1208 HydrophobicContact CZ-CB 4.2Å; F1125-V1208 HydrophobicContact CZ-CG1 4.29Å; F1125-V1208 HydrophobicContact CZ-CG2 3.98Å; F1125-I1221 HydrophobicContact CD1-CG2 3.62Å; F1125-I1221 HydrophobicContact CD2-CG2 4.46Å; F1125-I1221 HydrophobicContact CE1-CG2 3.4Å; F1125-I1221 VanDerWaalsContact CE1-CG2 3.4Å; F1125-I1221 HydrophobicContact CE2-CG2 4.29Å; F1125-I1221 HydrophobicContact CG-CG2 4.16Å; F1125-I1221 HydrophobicContact CZ-CB 4.48Å; F1125-I1221 HydrophobicContact CZ-CG2 3.77Å; F1125-I1221 PolarHBondContact N-O 2.65Å |
| 1126 | Q | 71.6 | Confident | 74.3 | Confident | 167 Ų | 167 | 64.5 Ų | 64.5 | 78% | 0.78 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 137.1 | 178.8 | -68.4 | -167.6 | -9.9 | 0 | 0 | 111.3 | S1128 | Q1126-S1128 PolarHBondContact O-N 2.84Š|
| 1127 | P | 64.2 | Low | 73.7 | Confident | 82 Ų | 82 | 68.9 Ų | 68.9 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -64 | 118.3 | 177.5 | 25.5 | -33.1 | 0 | 0 | 0 | 110.7 | G1129 | P1127-G1129 PolarHBondContact O-N 2.97Š|
| 1128 | S | 51.7 | Low | 73 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 57% | 0.573 | 38% | 0.384 | S | S | * | . | trans | -91.5 | 82.9 | -178.8 | -69.8 | 0 | 0 | 0 | 0 | 111 | Q1126 | Q1126-S1128 PolarHBondContact O-N 2.84Š| ||
| 1129 | G | 49.4 | Very low | 72 | Confident | 58 Ų | 58 | 78.5 Ų | 78.5 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | S | Bend | trans | 103.8 | -167 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1127 E1131 | P1127-G1129 PolarHBondContact O-N 2.97Å; G1129-E1131 PolarHBondContact O-N 3.13Å |
| 1130 | S | 48.3 | Very low | 71 | Confident | 134 Ų | 134 | 83.7 Ų | 83.7 | 94% | 0.937 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -72.1 | 13.8 | -168 | -169.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1131 | E | 53 | Low | 70.5 | Confident | 121 Ų | 121 | 89.2 Ų | 89.2 | 57% | 0.565 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -104.9 | 139.6 | -177.4 | -61.8 | -164.4 | 169.8 | 0 | 0 | 111.2 | G1129 Y1133 | G1129-E1131 PolarHBondContact O-N 3.13Å; E1131-Y1133 PolarHBondContact O-N 3.04Å |
| 1132 | T | 59.2 | Low | 70.4 | Confident | 127 Ų | 127 | 89.5 Ų | 89.5 | 78% | 0.779 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -68.3 | 2.4 | -171.2 | -6 | 0 | 0 | 0 | 0 | 115 | ||
| 1133 | Y | 62.7 | Low | 70.3 | Confident | 71 Ų | 71 | 89 Ų | 89 | 28% | 0.278 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -118.3 | 136.1 | -164.6 | -57.1 | -81.2 | 0 | 0 | 0 | 112.4 | E1131 I1135 R1198 T1199 L1202 | E1131-Y1133 PolarHBondContact O-N 3.04Å; Y1133-I1135 PolarHBondContact O-N 3.42Å; Y1133-R1198 PolarHBondContact OH-O 3.01Å; Y1133-T1199 HydrophobicContact CE2-CG2 4.35Å; Y1133-T1199 WeakPolarHBondContact CE2-OG1 3.39Å; Y1133-T1199 PolarHBondContact OH-OG1 3.17Å; Y1133-T1199 VanDerWaalsContact OH-OG1 3.05Å; Y1133-L1202 HydrophobicContact CD1-CD1 4.26Å; Y1133-L1202 HydrophobicContact CD1-CD2 3.55Å; Y1133-L1202 HydrophobicContact CD2-CD1 3.48Å; Y1133-L1202 VanDerWaalsContact CD2-CD1 3.48Å; Y1133-L1202 HydrophobicContact CD2-CD2 4.18Å; Y1133-L1202 HydrophobicContact CD2-CG 4.47Å; Y1133-L1202 HydrophobicContact CE1-CD1 4.46Å; Y1133-L1202 HydrophobicContact CE1-CD2 4.17Å; Y1133-L1202 HydrophobicContact CE2-CD1 3.73Å; Y1133-L1202 HydrophobicContact CG-CD1 3.77Å; Y1133-L1202 HydrophobicContact CG-CD2 3.55Å; Y1133-L1202 HydrophobicContact CG-CG 4.31Å |
| 1134 | P | 69.3 | Low | 70.5 | Confident | 35 Ų | 35 | 87.8 Ų | 87.8 | 23% | 0.227 | 46% | 0.464 | C | S | . | . | trans | -78.3 | 82.8 | -178.2 | 32.9 | -36.6 | 0 | 0 | 0 | 111.1 | F1125 G1222 F1223 | F1125-P1134 HydrophobicContact CB-CB 4.03Å; F1125-P1134 WeakPolarHBondContact O-CB 3.21Å; P1134-G1222 WeakPolarHBondContact O-CA 2.83Å; P1134-F1223 PolarHBondContact O-N 2.75Å | ||
| 1135 | I | 74.5 | Confident | 70.7 | Confident | 19 Ų | 19 | 81.5 Ų | 81.5 | 10% | 0.097 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 124.8 | 177.9 | -56.4 | 172.6 | 0 | 0 | 0 | 110.3 | Y1133 L1205 F1223 | Y1133-I1135 PolarHBondContact O-N 3.42Å; I1135-L1205 HydrophobicContact CD1-CD1 3.95Å; I1135-L1205 HydrophobicContact CG1-CD1 4.28Å; I1135-L1205 HydrophobicContact CG2-CD1 4.21Å; I1135-F1223 WeakPolarHBondContact CA-O 3.47Å; I1135-F1223 HydrophobicContact CG1-CB 4.36Å |
| 1136 | K | 78.4 | Confident | 71 | Confident | 64 Ų | 64 | 84.6 Ų | 84.6 | 28% | 0.278 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.5 | 173.2 | -174.1 | 169.3 | 179 | 172.4 | 0 | 110.3 | F1125 L1143 T1144 F1223 L1224 S1225 | F1125-K1136 HydrophobicContact CB-CB 4.13Å; F1125-K1136 HydrophobicContact CD1-CB 4.14Å; F1125-K1136 HydrophobicContact CD1-CD 3.57Å; F1125-K1136 HydrophobicContact CD1-CG 4.49Å; F1125-K1136 HydrophobicContact CD2-CB 3.44Å; F1125-K1136 VanDerWaalsContact CD2-CB 3.44Å; F1125-K1136 HydrophobicContact CD2-CD 4.33Å; F1125-K1136 HydrophobicContact CE1-CB 4.41Å; F1125-K1136 HydrophobicContact CE1-CD 3.5Å; F1125-K1136 HydrophobicContact CE2-CB 3.77Å; F1125-K1136 HydrophobicContact CE2-CD 4.28Å; F1125-K1136 HydrophobicContact CG-CB 3.65Å; F1125-K1136 HydrophobicContact CG-CD 4.01Å; F1125-K1136 HydrophobicContact CG-CG 4.46Å; F1125-K1136 HydrophobicContact CZ-CB 4.24Å; F1125-K1136 HydrophobicContact CZ-CD 3.89Å; K1136-L1143 HydrophobicContact CD-CD1 4.09Å; K1136-T1144 PolarHBondContact NZ-O 2.93Å; K1136-F1223 PolarHBondContact N-O 3.4Å; K1136-L1224 HydrophobicContact CB-CD1 4.48Å; K1136-S1225 PolarHBondContact O-N 2.71Å |
| 1137 | Y | 77.5 | Confident | 71.7 | Confident | 92 Ų | 92 | 76.8 Ų | 76.8 | 36% | 0.361 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 123.4 | 176.1 | -64.6 | -83.8 | 0 | 0 | 0 | 110.6 | K1139 D1227 | Y1137-K1139 PolarHBondContact O-N 3.06Å; Y1137-D1227 VanDerWaalsContact CD1-O 3.3Å; Y1137-D1227 WeakPolarHBondContact CD1-O 3.45Å |
| 1138 | F | 76.1 | Confident | 72.7 | Confident | 57 Ų | 57 | 75.1 Ų | 75.1 | 25% | 0.25 | 41% | 0.405 | C | S | . | . | trans | -74.3 | 116.6 | 178.7 | -174.2 | -117 | 0 | 0 | 0 | 110.3 | N1140 P1182 L1224 S1225 Y1226 | F1138-N1140 WeakPolarHBondContact CE2-O 3.38Å; F1138-N1140 WeakPolarHBondContact CZ-O 3.48Å; F1138-P1182 HydrophobicContact CD2-CG 3.94Å; F1138-P1182 HydrophobicContact CE1-CG 4.45Å; F1138-P1182 HydrophobicContact CE2-CG 3.18Å; F1138-P1182 HydrophobicContact CZ-CG 3.5Å; F1138-L1224 HydrophobicContact CB-CD1 4.18Å; F1138-L1224 HydrophobicContact CB-CG 4.29Å; F1138-L1224 HydrophobicContact CD2-CD2 4.47Å; F1138-S1225 WeakPolarHBondContact CB-O 3.48Å; F1138-S1225 PolarHBondContact N-O 3.03Å; F1138-Y1226 AromaticContact CD1-CD1 3.83Å; F1138-Y1226 HydrophobicContact CD1-CD1 3.83Å; F1138-Y1226 AromaticContact CD1-CE1 3.89Å; F1138-Y1226 HydrophobicContact CD1-CE1 3.89Å; F1138-Y1226 HydrophobicContact CE1-CD1 4.43Å; F1138-Y1226 HydrophobicContact CE1-CE1 4.18Å | ||
| 1139 | K | 68.3 | Low | 74.2 | Confident | 173 Ų | 173 | 73.2 Ų | 73.2 | 75% | 0.752 | 39% | 0.388 | S | S | * | . | trans | -126.5 | -14.5 | -176.7 | -78.6 | -168.8 | 175 | -176.2 | 0 | 115.4 | Y1137 | Y1137-K1139 PolarHBondContact O-N 3.06Š| ||
| 1140 | N | 67.2 | Low | 76 | Confident | 116 Ų | 116 | 70.4 Ų | 70.4 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -132.8 | 154 | -172.7 | -58.5 | -1.6 | 0 | 0 | 0 | 108.3 | F1138 Y1142 | F1138-N1140 WeakPolarHBondContact CE2-O 3.38Å; F1138-N1140 WeakPolarHBondContact CZ-O 3.48Å; N1140-Y1142 PolarHBondContact O-N 3.48Å |
| 1141 | D | 78.8 | Confident | 77.8 | Confident | 117 Ų | 117 | 67.4 Ų | 67.4 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -59.4 | -6.3 | -179.5 | -55.2 | -33.6 | 0 | 0 | 0 | 115.8 | ||
| 1142 | Y | 85.9 | Confident | 79.4 | Confident | 119 Ų | 119 | 63 Ų | 63 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -132.2 | 134.9 | -176 | -60.8 | -89.2 | 0 | 0 | 0 | 111.6 | N1140 T1171 T1179 R1181 | N1140-Y1142 PolarHBondContact O-N 3.48Å; Y1142-T1171 HydrophobicContact CE1-CG2 4.18Å; Y1142-T1179 HydrophobicContact CD1-CG2 4.1Å; Y1142-T1179 HydrophobicContact CG-CG2 4.28Å; Y1142-R1181 HydrophobicContact CD1-CB 4.48Å |
| 1143 | L | 88.4 | Confident | 80.5 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 114.9 | 171.2 | 178.5 | 60 | 0 | 0 | 0 | 109.8 | F1125 K1136 I1145 V1163 T1179 C1180 P1182 V1208 L1224 | F1125-L1143 HydrophobicContact CE1-CD1 4.45Å; F1125-L1143 HydrophobicContact CZ-CD1 4.1Å; K1136-L1143 HydrophobicContact CD-CD1 4.09Å; L1143-I1145 HydrophobicContact CG-CG1 4.4Å; L1143-V1163 HydrophobicContact CD2-CG2 4.27Å; L1143-T1179 WeakPolarHBondContact O-CA 3.46Å; L1143-C1180 PolarHBondContact N-O 3.42Å; L1143-C1180 PolarHBondContact O-N 2.81Å; L1143-P1182 HydrophobicContact CB-CG 4.16Å; L1143-V1208 HydrophobicContact CD2-CG1 4.06Å; L1143-V1208 HydrophobicContact CD2-CG2 4.27Å; L1143-L1224 HydrophobicContact CD1-CD1 3.96Å; L1143-L1224 HydrophobicContact CD2-CD2 4.44Å |
| 1144 | T | 88.5 | Confident | 81.7 | Confident | 57 Ų | 57 | 54.3 Ų | 54.3 | 35% | 0.35 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 133.9 | 170 | 51.7 | 0 | 0 | 0 | 0 | 111.2 | K1136 V1177 T1179 | K1136-T1144 PolarHBondContact NZ-O 2.93Å; T1144-V1177 HydrophobicContact CG2-CG1 4.31Å; T1144-T1179 HydrophobicContact CG2-CG2 4.17Å |
| 1145 | I | 89.6 | Confident | 82.4 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 118.7 | 172.2 | -57.1 | 172.5 | 0 | 0 | 0 | 106.2 | F1122 L1143 V1161 V1177 V1178 V1208 V1210 I1221 | F1122-I1145 HydrophobicContact CB-CG2 4.44Å; F1122-I1145 HydrophobicContact CD1-CG2 4.05Å; L1143-I1145 HydrophobicContact CG-CG1 4.4Å; I1145-V1161 HydrophobicContact CD1-CG1 3.79Å; I1145-V1161 HydrophobicContact CD1-CG2 4.35Å; I1145-V1177 WeakPolarHBondContact O-CA 3.46Å; I1145-V1178 HydrophobicContact CB-CB 4.49Å; I1145-V1178 PolarHBondContact N-O 3.15Å; I1145-V1178 PolarHBondContact O-N 3.13Å; I1145-V1208 HydrophobicContact CD1-CG1 3.91Å; I1145-V1210 HydrophobicContact CD1-CG2 3.69Å; I1145-I1221 HydrophobicContact CD1-CG1 4.46Å; I1145-I1221 HydrophobicContact CG2-CD1 4.18Å; I1145-I1221 HydrophobicContact CG2-CG1 4.18Å; I1145-I1221 HydrophobicContact CG2-CG2 4.18Å |
| 1146 | N | 87.8 | Confident | 83 | Confident | 79 Ų | 79 | 60.2 Ų | 60.2 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 166.3 | 179.5 | -65.3 | -9.3 | 0 | 0 | 0 | 110.5 | D1123 R1176 | D1123-N1146 HydrophobicContact CB-CB 4.01Å; D1123-N1146 PolarHBondContact N-O 3.46Å; D1123-N1146 WeakPolarHBondContact OD2-CB 3.25Å; N1146-R1176 CarbonylContact C-O 3.51Å; N1146-R1176 WeakPolarHBondContact CA-O 3.5Å |
| 1147 | G | 86.4 | Confident | 83.3 | Confident | 4 Ų | 4 | 63 Ų | 63 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 175.2 | -159.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1121 R1176 | E1121-G1147 CarbonylContact O-C 3.59Å; E1121-G1147 WeakPolarHBondContact O-CA 3.4Å; G1147-R1176 PolarHBondContact N-O 3.01Å; G1147-R1176 WeakPolarHBondContact O-CA 3.31Å; G1147-R1176 WeakPolarHBondContact O-CB 3.34Å; G1147-R1176 WeakPolarHBondContact O-CG 3.36Å |
| 1148 | N | 84.8 | Confident | 83.8 | Confident | 47 Ų | 47 | 59 Ų | 59 | 25% | 0.251 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 154.2 | 173.5 | -65.4 | -64.4 | 0 | 0 | 0 | 110.7 | E1121 I1150 N1175 R1176 | E1121-N1148 PolarHBondContact N-O 2.91Å; E1121-N1148 PolarHBondContact O-N 3.43Å; N1148-I1150 PolarHBondContact O-N 3.16Å; N1148-N1175 CarbonylContact C-O 3.51Å; N1148-R1176 PolarHBondContact OD1-NE 3.04Å |
| 1149 | N | 84.9 | Confident | 84.3 | Confident | 41 Ų | 41 | 56.5 Ų | 56.5 | 22% | 0.219 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 64.4 | 24.1 | 172.5 | -55 | -32.4 | 0 | 0 | 0 | 114.3 | A1084 L1152 N1175 | A1084-N1149 WeakPolarHBondContact CB-OD1 3.48Å; N1149-L1152 HydrophobicContact CB-CD1 3.63Å; N1149-L1152 HydrophobicContact CB-CG 4.21Å; N1149-N1175 WeakPolarHBondContact CA-OD1 3.27Å; N1149-N1175 PolarHBondContact N-O 2.86Å; N1149-N1175 VanDerWaalsContact N-O 3.15Å; N1149-N1175 PolarHBondContact N-OD1 2.88Å; N1149-N1175 VanDerWaalsContact N-OD1 3.08Å |
| 1150 | I | 86.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -40.3 | -168.1 | -57.6 | 169.3 | 0 | 0 | 0 | 112.6 | P1120 F1122 N1148 L1154 I1159 L1173 N1175 V1178 | P1120-I1150 HydrophobicContact CB-CG1 4.26Å; F1122-I1150 HydrophobicContact CD1-CD1 4.13Å; F1122-I1150 HydrophobicContact CD1-CG1 4.47Å; F1122-I1150 HydrophobicContact CE1-CD1 3.85Å; F1122-I1150 HydrophobicContact CE1-CG1 3.95Å; F1122-I1150 HydrophobicContact CE1-CG2 4.2Å; F1122-I1150 HydrophobicContact CZ-CG2 4.45Å; N1148-I1150 PolarHBondContact O-N 3.16Å; I1150-L1154 WeakPolarHBondContact O-CB 3.21Å; I1150-I1159 HydrophobicContact CG2-CD1 3.96Å; I1150-L1173 HydrophobicContact CG2-CD1 3.5Å; I1150-L1173 VanDerWaalsContact CG2-CD1 3.5Å; I1150-L1173 HydrophobicContact CG2-CG 4.47Å; I1150-N1175 WeakPolarHBondContact CB-O 3.04Å; I1150-N1175 WeakPolarHBondContact CG1-O 3.42Å; I1150-N1175 PolarHBondContact N-O 3.19Å; I1150-V1178 HydrophobicContact CD1-CG2 4.29Å; I1150-V1178 HydrophobicContact CG2-CG2 3.8Å |
| 1151 | D | 86.6 | Confident | 86.5 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 37% | 0.374 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 10.6 | -171.9 | 66.8 | -1.6 | 0 | 0 | 0 | 114.7 | A1153 L1173 N1175 | D1151-A1153 PolarHBondContact O-N 3.18Å; D1151-L1173 HydrophobicContact CB-CG 4.44Å; D1151-N1175 WeakPolarHBondContact OD1-CA 3.1Å; D1151-N1175 WeakPolarHBondContact OD1-CB 3.49Å; D1151-N1175 PolarHBondContact OD1-N 3.35Å; D1151-N1175 WeakPolarHBondContact OD2-CA 3.45Å; D1151-N1175 PolarHBondContact OD2-N 2.9Å |
| 1152 | L | 85.8 | Confident | 87 | Confident | 29 Ų | 29 | 47 Ų | 47 | 15% | 0.152 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -40.4 | -176 | -59.7 | -176.3 | 0 | 0 | 0 | 113.1 | K1020 A1084 F1117 N1149 | K1020-L1152 WeakPolarHBondContact CD-O 3.42Å; K1020-L1152 PolarHBondContact NZ-O 2.91Å; A1084-L1152 HydrophobicContact CB-CD1 3.71Å; F1117-L1152 HydrophobicContact CB-CB 4.25Å; F1117-L1152 HydrophobicContact CD1-CB 3.79Å; F1117-L1152 HydrophobicContact CD1-CD1 3.93Å; F1117-L1152 HydrophobicContact CD1-CG 4.42Å; F1117-L1152 HydrophobicContact CE1-CB 4.33Å; F1117-L1152 HydrophobicContact CG-CB 3.99Å; N1149-L1152 HydrophobicContact CB-CD1 3.63Å; N1149-L1152 HydrophobicContact CB-CG 4.21Å |
| 1153 | A | 82.8 | Confident | 87.1 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 7% | 0.074 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.2 | -20.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1020 I1022 L1027 F1117 D1151 | K1020-A1153 HydrophobicContact CB-CB 4.05Å; I1022-A1153 HydrophobicContact CG2-CB 4.09Å; L1027-A1153 HydrophobicContact CD1-CB 4.42Å; F1117-A1153 HydrophobicContact CB-CB 4.37Å; F1117-A1153 HydrophobicContact CD2-CB 3.88Å; F1117-A1153 HydrophobicContact CG-CB 4.39Å; D1151-A1153 PolarHBondContact O-N 3.18Å |
| 1154 | L | 86.3 | Confident | 86.9 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 20% | 0.197 | C | C | . | . | trans | -84.6 | 143.8 | 179.6 | -67.2 | 160.6 | 0 | 0 | 0 | 111.3 | I1022 L1027 P1120 I1150 D1158 I1159 L1212 | I1022-L1154 HydrophobicContact CD1-CD2 4.34Å; I1022-L1154 HydrophobicContact CG2-CG 4.32Å; L1027-L1154 HydrophobicContact CD1-CD2 4.34Å; L1027-L1154 HydrophobicContact CD2-CD2 3.53Å; P1120-L1154 HydrophobicContact CB-CD1 4.43Å; P1120-L1154 HydrophobicContact CG-CD1 3.65Å; I1150-L1154 WeakPolarHBondContact O-CB 3.21Å; L1154-D1158 HydrophobicContact CD2-CB 3.8Å; L1154-I1159 HydrophobicContact CB-CD1 4.17Å; L1154-I1159 HydrophobicContact CB-CG1 4.24Å; L1154-I1159 HydrophobicContact CD1-CD1 4.14Å; L1154-I1159 HydrophobicContact CD1-CG1 4.21Å; L1154-I1159 HydrophobicContact CD2-CG1 4.41Å; L1154-L1212 HydrophobicContact CD1-CD1 4.4Å; L1154-L1212 HydrophobicContact CD1-CD2 3.97Å | ||
| 1155 | R | 85.9 | Confident | 86.6 | Confident | 74 Ų | 74 | 41.6 Ų | 41.6 | 28% | 0.279 | 20% | 0.202 | S | C | . | . | trans | -110.8 | 166.8 | 168.8 | -55.4 | 155.1 | -63.7 | -162.3 | -0.2 | 108.8 | L1028 K1157 D1158 | L1028-R1155 PolarHBondContact O-NH2 3.3Å; R1155-K1157 HydrophobicContact CB-CG 4.42Å; R1155-K1157 VanDerWaalsContact NE-CE 3.29Å; R1155-K1157 PolarHBondContact O-N 2.85Å; R1155-K1157 VanDerWaalsContact O-N 3.08Å; R1155-D1158 VanDerWaalsContact CB-OD2 3.3Å; R1155-D1158 WeakPolarHBondContact CB-OD2 3.22Å; R1155-D1158 IonicContact CZ-OD1 2.84Å; R1155-D1158 IonicContact CZ-OD2 2.63Å; R1155-D1158 VanDerWaalsContact CZ-OD2 3.29Å; R1155-D1158 PolarHBondContact N-OD2 2.03Å; R1155-D1158 IonicContact NE-OD1 3.31Å; R1155-D1158 IonicContact NE-OD2 3.79Å; R1155-D1158 PolarHBondContact NE-OD2 3.37Å; R1155-D1158 IonicContact NH2-OD1 2.67Å; R1155-D1158 PolarHBondContact NH2-OD1 2.91Å; R1155-D1158 IonicContact NH2-OD2 3.28Å; R1155-D1158 PolarHBondContact NH2-OD2 3.24Å; R1155-D1158 WeakPolarHBondContact O-CA 3.2Å; R1155-D1158 WeakPolarHBondContact O-CB 3.49Å; R1155-D1158 PolarHBondContact O-N 3.47Å | ||
| 1156 | E | 85.5 | Confident | 86.4 | Confident | 104 Ų | 104 | 46 Ų | 46 | 49% | 0.486 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -49.8 | -39.7 | -178.8 | -67.4 | 172.8 | 161 | 0 | 0 | 113.9 | D1158 I1159 L1173 | E1156-D1158 VanDerWaalsContact C-N 3.3Å; E1156-D1158 PolarHBondContact O-N 2.8Å; E1156-I1159 PolarHBondContact O-N 3.18Å; E1156-L1173 HydrophobicContact CG-CB 3.72Å; E1156-L1173 HydrophobicContact CG-CD2 4.35Å |
| 1157 | K | 85.3 | Confident | 86.4 | Confident | 121 Ų | 121 | 46.2 Ų | 46.2 | 53% | 0.526 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -71.7 | -16.8 | 177.8 | 69 | 179.8 | -177.7 | 178.2 | 0 | 115.2 | R1155 I1159 | R1155-K1157 HydrophobicContact CB-CG 4.42Å; R1155-K1157 VanDerWaalsContact NE-CE 3.29Å; R1155-K1157 PolarHBondContact O-N 2.85Å; R1155-K1157 VanDerWaalsContact O-N 3.08Å; K1157-I1159 VanDerWaalsContact C-N 3.35Å |
| 1158 | D | 87.1 | Confident | 86.6 | Confident | 8 Ų | 8 | 46.1 Ų | 46.1 | 4% | 0.043 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -93.2 | 1.4 | -177.7 | -51.4 | -56 | 0 | 0 | 0 | 111.4 | L1027 L1154 R1155 E1156 G1213 | L1027-D1158 HydrophobicContact CD2-CB 4.42Å; L1154-D1158 HydrophobicContact CD2-CB 3.8Å; R1155-D1158 VanDerWaalsContact CB-OD2 3.3Å; R1155-D1158 WeakPolarHBondContact CB-OD2 3.22Å; R1155-D1158 IonicContact CZ-OD1 2.84Å; R1155-D1158 IonicContact CZ-OD2 2.63Å; R1155-D1158 VanDerWaalsContact CZ-OD2 3.29Å; R1155-D1158 PolarHBondContact N-OD2 2.03Å; R1155-D1158 IonicContact NE-OD1 3.31Å; R1155-D1158 IonicContact NE-OD2 3.79Å; R1155-D1158 PolarHBondContact NE-OD2 3.37Å; R1155-D1158 IonicContact NH2-OD1 2.67Å; R1155-D1158 PolarHBondContact NH2-OD1 2.91Å; R1155-D1158 IonicContact NH2-OD2 3.28Å; R1155-D1158 PolarHBondContact NH2-OD2 3.24Å; R1155-D1158 WeakPolarHBondContact O-CA 3.2Å; R1155-D1158 WeakPolarHBondContact O-CB 3.49Å; R1155-D1158 PolarHBondContact O-N 3.47Å; E1156-D1158 VanDerWaalsContact C-N 3.3Å; E1156-D1158 PolarHBondContact O-N 2.8Å; D1158-G1213 PolarHBondContact O-N 3.06Å |
| 1159 | I | 88.4 | Confident | 86.7 | Confident | 6 Ų | 6 | 48.9 Ų | 48.9 | 3% | 0.031 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 131.6 | 176.4 | -57.4 | 179.3 | 0 | 0 | 0 | 108.9 | I1150 L1154 E1156 K1157 V1161 L1173 V1178 V1210 L1212 | I1150-I1159 HydrophobicContact CG2-CD1 3.96Å; L1154-I1159 HydrophobicContact CB-CD1 4.17Å; L1154-I1159 HydrophobicContact CB-CG1 4.24Å; L1154-I1159 HydrophobicContact CD1-CD1 4.14Å; L1154-I1159 HydrophobicContact CD1-CG1 4.21Å; L1154-I1159 HydrophobicContact CD2-CG1 4.41Å; E1156-I1159 PolarHBondContact O-N 3.18Å; K1157-I1159 VanDerWaalsContact C-N 3.35Å; I1159-V1161 HydrophobicContact CG2-CG2 4.35Å; I1159-L1173 HydrophobicContact CD1-CD1 3.63Å; I1159-L1173 HydrophobicContact CD1-CD2 4.13Å; I1159-V1178 HydrophobicContact CD1-CG2 4.35Å; I1159-V1210 HydrophobicContact CG2-CG1 3.76Å; I1159-L1212 HydrophobicContact CG1-CD2 3.97Å; I1159-L1212 HydrophobicContact CG2-CD2 4.35Å |
| 1160 | R | 89.8 | Confident | 86.9 | Confident | 142 Ų | 142 | 48.5 Ų | 48.5 | 54% | 0.536 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.1 | 172.7 | -62.3 | -178.8 | -169.4 | 168.8 | 5.3 | 109.4 | F1162 L1167 S1211 | R1160-F1162 HydrophobicContact CB-CD2 4.48Å; R1160-F1162 HydrophobicContact CB-CE2 3.77Å; R1160-F1162 HydrophobicContact CB-CZ 4.28Å; R1160-L1167 HydrophobicContact CB-CD1 4.07Å; R1160-S1211 PolarHBondContact N-O 2.86Å; R1160-S1211 PolarHBondContact O-N 3.46Å |
| 1161 | V | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 127.6 | 174.2 | -173.6 | 0 | 0 | 0 | 0 | 108.2 | I1145 I1159 C1168 V1170 V1178 C1180 V1208 I1209 V1210 | I1145-V1161 HydrophobicContact CD1-CG1 3.79Å; I1145-V1161 HydrophobicContact CD1-CG2 4.35Å; I1159-V1161 HydrophobicContact CG2-CG2 4.35Å; V1161-C1168 HydrophobicContact CB-CB 4.03Å; V1161-C1168 HydrophobicContact CG1-CB 4Å; V1161-C1168 WeakPolarHBondContact O-CB 3.45Å; V1161-C1168 PolarHBondContact O-N 3.04Å; V1161-V1170 HydrophobicContact CG2-CG2 3.93Å; V1161-V1178 HydrophobicContact CG2-CG1 4.14Å; V1161-C1180 HydrophobicContact CB-CB 4.48Å; V1161-V1208 HydrophobicContact CG1-CG1 4.05Å; V1161-I1209 CarbonylContact C-O 3.5Å; V1161-I1209 WeakPolarHBondContact CA-O 2.88Å; V1161-V1210 HydrophobicContact CG1-CG2 4.43Å; V1161-V1210 HydrophobicContact CG2-CG1 4.49Å; V1161-V1210 HydrophobicContact CG2-CG2 4.24Å |
| 1162 | F | 90 | Very high | 86.8 | Confident | 65 Ų | 65 | 50.4 Ų | 50.4 | 29% | 0.285 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 144.9 | 173.5 | -64.4 | -89.6 | 0 | 0 | 0 | 109.8 | R1160 E1166 L1167 V1208 I1209 | R1160-F1162 HydrophobicContact CB-CD2 4.48Å; R1160-F1162 HydrophobicContact CB-CE2 3.77Å; R1160-F1162 HydrophobicContact CB-CZ 4.28Å; F1162-E1166 CarbonylContact C-O 3.55Å; F1162-E1166 VanDerWaalsContact CA-O 3.26Å; F1162-E1166 WeakPolarHBondContact CA-O 3.22Å; F1162-L1167 HydrophobicContact CD1-CD1 4.08Å; F1162-L1167 HydrophobicContact CE1-CB 4.48Å; F1162-L1167 HydrophobicContact CE1-CD1 3.72Å; F1162-L1167 HydrophobicContact CE2-CD1 4.32Å; F1162-L1167 HydrophobicContact CZ-CD1 3.86Å; F1162-V1208 CarbonylContact O-C 3.55Å; F1162-V1208 WeakPolarHBondContact O-CA 3.39Å; F1162-I1209 HydrophobicContact CB-CB 4.41Å; F1162-I1209 PolarHBondContact N-O 3Å; F1162-I1209 PolarHBondContact O-N 3.43Å |
| 1163 | V | 88 | Confident | 86.8 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 107 | 170.7 | 178.7 | 0 | 0 | 0 | 0 | 105.6 | L1143 S1165 E1166 C1168 P1182 P1187 P1206 E1207 V1208 L1224 | L1143-V1163 HydrophobicContact CD2-CG2 4.27Å; V1163-S1165 PolarHBondContact O-N 3.31Å; V1163-E1166 PolarHBondContact N-O 3.08Å; V1163-E1166 PolarHBondContact O-N 3.49Å; V1163-E1166 VanDerWaalsContact O-N 3.08Å; V1163-C1168 HydrophobicContact CG2-CB 3.94Å; V1163-P1182 HydrophobicContact CG2-CB 4.23Å; V1163-P1187 HydrophobicContact CB-CG 4.32Å; V1163-P1187 HydrophobicContact CG1-CG 3.84Å; V1163-P1187 WeakPolarHBondContact O-CG 3.48Å; V1163-P1206 HydrophobicContact CG1-CB 3.86Å; V1163-P1206 HydrophobicContact CG1-CG 3.93Å; V1163-E1207 WeakPolarHBondContact CA-O 3.29Å; V1163-V1208 HydrophobicContact CG2-CG2 4.32Å; V1163-L1224 HydrophobicContact CG1-CB 4.45Å; V1163-L1224 HydrophobicContact CG1-CD2 3.91Å |
| 1164 | G | 84.4 | Confident | 86.8 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | -125.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1188 E1207 | G1164-L1188 CarbonylContact C-O 3.51Å; G1164-L1188 VanDerWaalsContact CA-O 3.23Å; G1164-L1188 WeakPolarHBondContact CA-O 3.3Å; G1164-E1207 PolarHBondContact N-O 3.05Å |
| 1165 | S | 82.4 | Confident | 86.7 | Confident | 64 Ų | 64 | 55.1 Ų | 55.1 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -6 | 175.7 | 58.7 | 0 | 0 | 0 | 0 | 115.4 | V1163 L1188 | V1163-S1165 PolarHBondContact O-N 3.31Å; S1165-L1188 PolarHBondContact N-O 3.19Å; S1165-L1188 PolarHBondContact OG-O 2.03Å |
| 1166 | E | 86 | Confident | 86.8 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 44% | 0.439 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 155 | -170.4 | -71.3 | -170 | -160 | 0 | 0 | 113.8 | F1162 V1163 P1183 P1187 | F1162-E1166 CarbonylContact C-O 3.55Å; F1162-E1166 VanDerWaalsContact CA-O 3.26Å; F1162-E1166 WeakPolarHBondContact CA-O 3.22Å; V1163-E1166 PolarHBondContact N-O 3.08Å; V1163-E1166 PolarHBondContact O-N 3.49Å; V1163-E1166 VanDerWaalsContact O-N 3.08Å; E1166-P1183 HydrophobicContact CB-CG 3.67Å; E1166-P1183 HydrophobicContact CG-CG 4.49Å; E1166-P1183 WeakPolarHBondContact OE2-CB 3.49Å; E1166-P1183 VanDerWaalsContact OE2-CG 3.25Å; E1166-P1183 WeakPolarHBondContact OE2-CG 3.48Å; E1166-P1187 HydrophobicContact CB-CB 4.03Å; E1166-P1187 HydrophobicContact CB-CG 4.49Å; E1166-P1187 HydrophobicContact CG-CB 3.88Å |
| 1167 | L | 87.6 | Confident | 86.9 | Confident | 84 Ų | 84 | 56.9 Ų | 56.9 | 44% | 0.44 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 123.4 | -178.9 | -171.6 | 76.7 | 0 | 0 | 0 | 111 | R1160 F1162 | R1160-L1167 HydrophobicContact CB-CD1 4.07Å; F1162-L1167 HydrophobicContact CD1-CD1 4.08Å; F1162-L1167 HydrophobicContact CE1-CB 4.48Å; F1162-L1167 HydrophobicContact CE1-CD1 3.72Å; F1162-L1167 HydrophobicContact CE2-CD1 4.32Å; F1162-L1167 HydrophobicContact CZ-CD1 3.86Å |
| 1168 | C | 89.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.007 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 106.5 | 169.3 | -169.6 | 0 | 0 | 0 | 0 | 108.8 | V1161 V1163 V1170 C1180 R1181 P1182 | V1161-C1168 HydrophobicContact CB-CB 4.03Å; V1161-C1168 HydrophobicContact CG1-CB 4Å; V1161-C1168 WeakPolarHBondContact O-CB 3.45Å; V1161-C1168 PolarHBondContact O-N 3.04Å; V1163-C1168 HydrophobicContact CG2-CB 3.94Å; C1168-V1170 PolarHBondContact O-N 2.9Å; C1168-C1180 HydrophobicContact CB-CB 3.92Å; C1168-C1180 WeakPolarHBondContact CB-SG 3.25Å; C1168-C1180 VanDerWaalsContact SG-C 3.51Å; C1168-C1180 WeakPolarHBondContact SG-CB 3.48Å; C1168-C1180 CovalentContact SG-SG 2.04Å; C1168-C1180 PolarHBondContact SG-SG 3.14Å; C1168-R1181 PolarHBondContact SG-O 3.4Å; C1168-R1181 VanDerWaalsContact SG-O 3.41Å; C1168-P1182 WeakPolarHBondContact SG-CA 3.43Å |
| 1169 | N | 88.6 | Confident | 87.3 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 56% | 0.561 | 27% | 0.272 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 117.4 | -176.8 | -78 | -28.6 | 0 | 0 | 0 | 110.4 | T1171 C1180 R1181 | N1169-T1171 PolarHBondContact O-N 3.28Å; N1169-C1180 CarbonylContact O-C 3.6Å; N1169-C1180 WeakPolarHBondContact O-CA 3.34Å; N1169-C1180 VanDerWaalsContact O-CB 3.3Å; N1169-C1180 WeakPolarHBondContact O-CB 3.36Å; N1169-R1181 PolarHBondContact N-O 2.83Å; N1169-R1181 PolarHBondContact O-N 2.68Å |
| 1170 | V | 88.6 | Confident | 87.4 | Confident | 33 Ų | 33 | 51.6 Ų | 51.6 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 128.1 | 176.4 | 179.4 | 0 | 0 | 0 | 0 | 109.3 | V1161 C1168 V1178 T1179 C1180 | V1161-V1170 HydrophobicContact CG2-CG2 3.93Å; C1168-V1170 PolarHBondContact O-N 2.9Å; V1170-V1178 HydrophobicContact CG1-CG1 3.98Å; V1170-V1178 HydrophobicContact CG2-CG1 4.1Å; V1170-T1179 CarbonylContact C-O 3.23Å; V1170-T1179 WeakPolarHBondContact CA-O 3.25Å; V1170-C1180 HydrophobicContact CG2-CB 4.23Å |
| 1171 | T | 86 | Confident | 87.4 | Confident | 67 Ų | 67 | 50.5 Ų | 50.5 | 41% | 0.411 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | -16.5 | -176.1 | 59 | 0 | 0 | 0 | 0 | 113.8 | Y1142 N1169 T1179 R1181 | Y1142-T1171 HydrophobicContact CE1-CG2 4.18Å; N1169-T1171 PolarHBondContact O-N 3.28Å; T1171-T1179 PolarHBondContact N-O 3.01Å; T1171-T1179 PolarHBondContact OG1-O 3.25Å; T1171-R1181 HydrophobicContact CG2-CB 4.39Å |
| 1172 | A | 85 | Confident | 87.3 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 36% | 0.364 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 142.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1179 | A1172-T1179 PolarHBondContact N-O 2.86Å; A1172-T1179 PolarHBondContact O-N 3.17Å |
| 1173 | L | 85.6 | Confident | 87.1 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 19% | 0.188 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.9 | 176.4 | -171 | 63.6 | 0 | 0 | 0 | 110.9 | I1150 D1151 E1156 I1159 V1178 | I1150-L1173 HydrophobicContact CG2-CD1 3.5Å; I1150-L1173 VanDerWaalsContact CG2-CD1 3.5Å; I1150-L1173 HydrophobicContact CG2-CG 4.47Å; D1151-L1173 HydrophobicContact CB-CG 4.44Å; E1156-L1173 HydrophobicContact CG-CB 3.72Å; E1156-L1173 HydrophobicContact CG-CD2 4.35Å; I1159-L1173 HydrophobicContact CD1-CD1 3.63Å; I1159-L1173 HydrophobicContact CD1-CD2 4.13Å; L1173-V1178 HydrophobicContact CD1-CG2 3.76Å |
| 1174 | A | 83.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 39% | 0.388 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110 | R1176 V1177 | A1174-R1176 PolarHBondContact O-N 2.91Å; A1174-V1177 PolarHBondContact N-O 3.01Å; A1174-V1177 PolarHBondContact O-N 3.16Å; A1174-V1177 VanDerWaalsContact O-O 3.09Å |
| 1175 | N | 83.6 | Confident | 86.5 | Confident | 61 Ų | 61 | 61.7 Ų | 61.7 | 33% | 0.326 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -44 | -32.4 | -175.9 | -165.7 | -4.9 | 0 | 0 | 0 | 115.1 | N1148 N1149 I1150 D1151 | N1148-N1175 CarbonylContact C-O 3.51Å; N1149-N1175 WeakPolarHBondContact CA-OD1 3.27Å; N1149-N1175 PolarHBondContact N-O 2.86Å; N1149-N1175 VanDerWaalsContact N-O 3.15Å; N1149-N1175 PolarHBondContact N-OD1 2.88Å; N1149-N1175 VanDerWaalsContact N-OD1 3.08Å; I1150-N1175 WeakPolarHBondContact CB-O 3.04Å; I1150-N1175 WeakPolarHBondContact CG1-O 3.42Å; I1150-N1175 PolarHBondContact N-O 3.19Å; D1151-N1175 WeakPolarHBondContact OD1-CA 3.1Å; D1151-N1175 WeakPolarHBondContact OD1-CB 3.49Å; D1151-N1175 PolarHBondContact OD1-N 3.35Å; D1151-N1175 WeakPolarHBondContact OD2-CA 3.45Å; D1151-N1175 PolarHBondContact OD2-N 2.9Å |
| 1176 | R | 87.4 | Confident | 86.5 | Confident | 169 Ų | 169 | 62 Ų | 62 | 64% | 0.638 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | -0.1 | -179 | -65.1 | -169 | 170.8 | -162.9 | -6.6 | 116.4 | N1146 G1147 N1148 A1174 | N1146-R1176 CarbonylContact C-O 3.51Å; N1146-R1176 WeakPolarHBondContact CA-O 3.5Å; G1147-R1176 PolarHBondContact N-O 3.01Å; G1147-R1176 WeakPolarHBondContact O-CA 3.31Å; G1147-R1176 WeakPolarHBondContact O-CB 3.34Å; G1147-R1176 WeakPolarHBondContact O-CG 3.36Å; N1148-R1176 PolarHBondContact OD1-NE 3.04Å; A1174-R1176 PolarHBondContact O-N 2.91Å |
| 1177 | V | 88.9 | Confident | 86.3 | Confident | 45 Ų | 45 | 57.8 Ų | 57.8 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.7 | -176.9 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | T1144 I1145 A1174 | T1144-V1177 HydrophobicContact CG2-CG1 4.31Å; I1145-V1177 WeakPolarHBondContact O-CA 3.46Å; A1174-V1177 PolarHBondContact N-O 3.01Å; A1174-V1177 PolarHBondContact O-N 3.16Å; A1174-V1177 VanDerWaalsContact O-O 3.09Å |
| 1178 | V | 89.7 | Confident | 85.7 | Confident | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 131.4 | 158 | -176.1 | 0 | 0 | 0 | 0 | 108.1 | F1122 I1145 I1150 I1159 V1161 V1170 L1173 | F1122-V1178 HydrophobicContact CE1-CG2 3.76Å; I1145-V1178 HydrophobicContact CB-CB 4.49Å; I1145-V1178 PolarHBondContact N-O 3.15Å; I1145-V1178 PolarHBondContact O-N 3.13Å; I1150-V1178 HydrophobicContact CD1-CG2 4.29Å; I1150-V1178 HydrophobicContact CG2-CG2 3.8Å; I1159-V1178 HydrophobicContact CD1-CG2 4.35Å; V1161-V1178 HydrophobicContact CG2-CG1 4.14Å; V1170-V1178 HydrophobicContact CG1-CG1 3.98Å; V1170-V1178 HydrophobicContact CG2-CG1 4.1Å; L1173-V1178 HydrophobicContact CD1-CG2 3.76Å |
| 1179 | T | 90.2 | Very high | 84.7 | Confident | 25 Ų | 25 | 62.8 Ų | 62.8 | 15% | 0.153 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 129.6 | 170.7 | -51.5 | 0 | 0 | 0 | 0 | 109.2 | Y1142 L1143 T1144 V1170 T1171 A1172 | Y1142-T1179 HydrophobicContact CD1-CG2 4.1Å; Y1142-T1179 HydrophobicContact CG-CG2 4.28Å; L1143-T1179 WeakPolarHBondContact O-CA 3.46Å; T1144-T1179 HydrophobicContact CG2-CG2 4.17Å; V1170-T1179 CarbonylContact C-O 3.23Å; V1170-T1179 WeakPolarHBondContact CA-O 3.25Å; T1171-T1179 PolarHBondContact N-O 3.01Å; T1171-T1179 PolarHBondContact OG1-O 3.25Å; A1172-T1179 PolarHBondContact N-O 2.86Å; A1172-T1179 PolarHBondContact O-N 3.17Å |
| 1180 | C | 91.7 | Very high | 83.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.2 | 173.8 | 73 | 0 | 0 | 0 | 0 | 111.4 | L1143 V1161 C1168 N1169 V1170 P1182 | L1143-C1180 PolarHBondContact N-O 3.42Å; L1143-C1180 PolarHBondContact O-N 2.81Å; V1161-C1180 HydrophobicContact CB-CB 4.48Å; C1168-C1180 HydrophobicContact CB-CB 3.92Å; C1168-C1180 WeakPolarHBondContact CB-SG 3.25Å; C1168-C1180 VanDerWaalsContact SG-C 3.51Å; C1168-C1180 WeakPolarHBondContact SG-CB 3.48Å; C1168-C1180 CovalentContact SG-SG 2.04Å; C1168-C1180 PolarHBondContact SG-SG 3.14Å; N1169-C1180 CarbonylContact O-C 3.6Å; N1169-C1180 WeakPolarHBondContact O-CA 3.34Å; N1169-C1180 VanDerWaalsContact O-CB 3.3Å; N1169-C1180 WeakPolarHBondContact O-CB 3.36Å; V1170-C1180 HydrophobicContact CG2-CB 4.23Å; C1180-P1182 WeakPolarHBondContact O-CD 3.38Å |
| 1181 | R | 90.2 | Very high | 82.2 | Confident | 118 Ų | 118 | 64 Ų | 64 | 45% | 0.445 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 111.2 | 172.6 | 179.3 | 167.9 | 174.8 | 162.8 | -2.3 | 109.2 | Y1142 C1168 N1169 T1171 E1184 | Y1142-R1181 HydrophobicContact CD1-CB 4.48Å; C1168-R1181 PolarHBondContact SG-O 3.4Å; C1168-R1181 VanDerWaalsContact SG-O 3.41Å; N1169-R1181 PolarHBondContact N-O 2.83Å; N1169-R1181 PolarHBondContact O-N 2.68Å; T1171-R1181 HydrophobicContact CG2-CB 4.39Å; R1181-E1184 IonicContact NH2-OE1 2.7Å; R1181-E1184 PolarHBondContact NH2-OE1 3.01Å |
| 1182 | P | 86.6 | Confident | 80.5 | Confident | 6 Ų | 6 | 65.3 Ų | 65.3 | 4% | 0.039 | 36% | 0.357 | C | S | . | . | trans | -75.7 | 167.2 | 178.6 | 32.3 | -35.1 | 0 | 0 | 0 | 111.3 | F1138 L1143 V1163 C1168 C1180 L1224 | F1138-P1182 HydrophobicContact CD2-CG 3.94Å; F1138-P1182 HydrophobicContact CE1-CG 4.45Å; F1138-P1182 HydrophobicContact CE2-CG 3.18Å; F1138-P1182 HydrophobicContact CZ-CG 3.5Å; L1143-P1182 HydrophobicContact CB-CG 4.16Å; V1163-P1182 HydrophobicContact CG2-CB 4.23Å; C1168-P1182 WeakPolarHBondContact SG-CA 3.43Å; C1180-P1182 WeakPolarHBondContact O-CD 3.38Å; P1182-L1224 HydrophobicContact CB-CD2 4.28Å | ||
| 1183 | P | 85.6 | Confident | 78.4 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 11% | 0.11 | 36% | 0.364 | C | S | . | . | trans | -57.5 | 147.6 | 174.9 | -24.9 | 35.4 | 0 | 0 | 0 | 112.5 | E1166 N1185 P1187 Y1226 | E1166-P1183 HydrophobicContact CB-CG 3.67Å; E1166-P1183 HydrophobicContact CG-CG 4.49Å; E1166-P1183 WeakPolarHBondContact OE2-CB 3.49Å; E1166-P1183 VanDerWaalsContact OE2-CG 3.25Å; E1166-P1183 WeakPolarHBondContact OE2-CG 3.48Å; P1183-N1185 VanDerWaalsContact C-N 3.31Å; P1183-N1185 PolarHBondContact O-N 2.7Å; P1183-P1187 HydrophobicContact CG-CG 4.22Å; P1183-Y1226 VanDerWaalsContact O-CE1 3.25Å; P1183-Y1226 WeakPolarHBondContact O-CE1 3.49Å; P1183-Y1226 PolarHBondContact O-OH 2.93Å | ||
| 1184 | E | 80.4 | Confident | 76.4 | Confident | 146 Ų | 146 | 72.1 Ų | 72.1 | 68% | 0.682 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -71.4 | -24.8 | -178.5 | -64.9 | -176 | 169.4 | 0 | 0 | 113.2 | R1181 | R1181-E1184 IonicContact NH2-OE1 2.7Å; R1181-E1184 PolarHBondContact NH2-OE1 3.01Å |
| 1185 | N | 80.9 | Confident | 74.2 | Confident | 133 Ų | 133 | 76.5 Ų | 76.5 | 71% | 0.711 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -116.3 | 149.5 | 174.5 | -62.1 | -68.4 | 0 | 0 | 0 | 109.4 | P1183 P1187 | P1183-N1185 VanDerWaalsContact C-N 3.31Å; P1183-N1185 PolarHBondContact O-N 2.7Å; N1185-P1187 WeakPolarHBondContact O-CD 3.49Å; N1185-P1187 VanDerWaalsContact O-N 3.14Å |
| 1186 | Q | 82.1 | Confident | 72.2 | Confident | 70 Ų | 70 | 77 Ų | 77 | 33% | 0.327 | 44% | 0.438 | S | S | . | . | trans | -61.6 | 112.8 | -179.4 | -174.9 | 163.6 | -56.1 | 0 | 0 | 111.5 | S1204 P1206 Y1226 | Q1186-S1204 PolarHBondContact NE2-O 3.14Å; Q1186-P1206 HydrophobicContact CG-CG 3.91Å; Q1186-Y1226 HydrophobicContact CB-CD2 3.63Å; Q1186-Y1226 HydrophobicContact CB-CE2 4.03Å; Q1186-Y1226 HydrophobicContact CB-CG 4Å; Q1186-Y1226 HydrophobicContact CG-CD2 3.69Å; Q1186-Y1226 HydrophobicContact CG-CE2 4.06Å; Q1186-Y1226 HydrophobicContact CG-CG 4.48Å | ||
| 1187 | P | 80.8 | Confident | 69.6 | Low | 7 Ų | 7 | 74.9 Ų | 74.9 | 5% | 0.045 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 161.1 | 179.5 | 30.8 | -35.6 | 0 | 0 | 0 | 111.4 | V1163 E1166 P1183 N1185 P1206 | V1163-P1187 HydrophobicContact CB-CG 4.32Å; V1163-P1187 HydrophobicContact CG1-CG 3.84Å; V1163-P1187 WeakPolarHBondContact O-CG 3.48Å; E1166-P1187 HydrophobicContact CB-CB 4.03Å; E1166-P1187 HydrophobicContact CB-CG 4.49Å; E1166-P1187 HydrophobicContact CG-CB 3.88Å; P1183-P1187 HydrophobicContact CG-CG 4.22Å; N1185-P1187 WeakPolarHBondContact O-CD 3.49Å; N1185-P1187 VanDerWaalsContact O-N 3.14Å; P1187-P1206 HydrophobicContact CG-CB 3.99Å; P1187-P1206 HydrophobicContact CG-CG 4.29Å |
| 1188 | L | 74.8 | Confident | 67 | Low | 134 Ų | 134 | 83.2 Ų | 83.2 | 70% | 0.702 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 146.3 | 177.3 | -73.4 | 161.4 | 0 | 0 | 0 | 111.3 | G1164 S1165 | G1164-L1188 CarbonylContact C-O 3.51Å; G1164-L1188 VanDerWaalsContact CA-O 3.23Å; G1164-L1188 WeakPolarHBondContact CA-O 3.3Å; S1165-L1188 PolarHBondContact N-O 3.19Å; S1165-L1188 PolarHBondContact OG-O 2.03Å |
| 1189 | P | 68.4 | Low | 64.6 | Low | 56 Ų | 56 | 86.5 Ų | 86.5 | 36% | 0.364 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -55.9 | 144.1 | 170.4 | -23.9 | 33.7 | 0 | 0 | 0 | 111.8 | ||
| 1190 | S | 63.4 | Low | 62.4 | Low | 35 Ų | 35 | 89.9 Ų | 89.9 | 25% | 0.245 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 135.5 | -176.8 | -169 | 0 | 0 | 0 | 0 | 111.5 | S1192 | S1190-S1192 PolarHBondContact O-N 3.45Å; S1190-S1192 PolarHBondContact OG-OG 2.97Å |
| 1191 | P | 60.8 | Low | 60.6 | Low | 128 Ų | 128 | 93.2 Ų | 93.2 | 83% | 0.831 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | 5.9 | -175 | -24.1 | 34.7 | 0 | 0 | 0 | 117.4 | ||
| 1192 | S | 51 | Low | 59 | Low | 94 Ų | 94 | 88.4 Ų | 88.4 | 66% | 0.657 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.8 | 19 | -165.9 | 46.2 | 0 | 0 | 0 | 0 | 115.1 | S1190 I1194 | S1190-S1192 PolarHBondContact O-N 3.45Å; S1190-S1192 PolarHBondContact OG-OG 2.97Å; S1192-I1194 PolarHBondContact O-N 3.46Å |
| 1193 | G | 41 | Very low | 57.6 | Low | 50 Ų | 50 | 94.5 Ų | 94.5 | 52% | 0.515 | 56% | 0.56 | S | S | . | * | trans | -65.5 | 128.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1195 | G1193-V1195 PolarHBondContact O-N 2.9Å; G1193-V1195 VanDerWaalsContact O-N 3.11Å | ||
| 1194 | I | 44.3 | Very low | 56.8 | Low | 174 Ų | 174 | 97.1 Ų | 97.1 | 89% | 0.892 | 58% | 0.579 | S | S | * | * | trans | -70.3 | 104.1 | 171.5 | -64.8 | 172.9 | 0 | 0 | 0 | 108.4 | S1192 G1196 | S1192-I1194 PolarHBondContact O-N 3.46Å; I1194-G1196 PolarHBondContact O-N 2.98Å | ||
| 1195 | V | 36.5 | Very low | 56.5 | Low | 139 Ų | 139 | 91.1 Ų | 91.1 | 84% | 0.842 | 55% | 0.551 | S | S | * | * | trans | -72.4 | 95.8 | -171.8 | -179 | 0 | 0 | 0 | 0 | 111.9 | G1193 | G1193-V1195 PolarHBondContact O-N 2.9Å; G1193-V1195 VanDerWaalsContact O-N 3.11Å | ||
| 1196 | G | 40.6 | Very low | 56.7 | Low | 71 Ų | 71 | 84.8 Ų | 84.8 | 73% | 0.732 | 52% | 0.517 | S | S | * | . | trans | -96.9 | 108.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1194 | I1194-G1196 PolarHBondContact O-N 2.98Š| ||
| 1197 | T | 34.5 | Very low | 56.9 | Low | 124 Ų | 124 | 83.7 Ų | 83.7 | 76% | 0.761 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -43.1 | 144.2 | -174.4 | 51.5 | 0 | 0 | 0 | 0 | 117.6 | ||
| 1198 | R | 34.5 | Very low | 57.3 | Low | 220 Ų | 220 | 83.4 Ų | 83.4 | 83% | 0.83 | 51% | 0.51 | S | S | * | . | trans | 97.1 | 79.6 | 165.2 | -57.5 | 176.7 | 175.3 | 170.8 | -0.8 | 117.8 | Y1133 | Y1133-R1198 PolarHBondContact OH-O 3.01Š| ||
| 1199 | T | 38.7 | Very low | 58 | Low | 70 Ų | 70 | 78.4 Ų | 78.4 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | 179 | 123.6 | 121.5 | 26.5 | 0 | 0 | 0 | 0 | 108.9 | Y1133 S1201 L1202 | Y1133-T1199 HydrophobicContact CE2-CG2 4.35Å; Y1133-T1199 WeakPolarHBondContact CE2-OG1 3.39Å; Y1133-T1199 PolarHBondContact OH-OG1 3.17Å; Y1133-T1199 VanDerWaalsContact OH-OG1 3.05Å; T1199-S1201 PolarHBondContact O-N 2.99Å; T1199-L1202 WeakPolarHBondContact OG1-CD1 3.29Å | |||
| 1200 | A | 44.5 | Very low | 59.1 | Low | 96 Ų | 96 | 75.8 Ų | 75.8 | 79% | 0.793 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -11 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1201 | S | 53.1 | Low | 60.3 | Low | 69 Ų | 69 | 74.9 Ų | 74.9 | 48% | 0.483 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -28.6 | -180 | 46.8 | 0 | 0 | 0 | 0 | 114 | T1199 N1203 S1204 | T1199-S1201 PolarHBondContact O-N 2.99Å; S1201-N1203 VanDerWaalsContact C-N 3.35Å; S1201-N1203 PolarHBondContact O-N 3.42Å; S1201-S1204 PolarHBondContact O-OG 3.31Å |
| 1202 | L | 55.9 | Low | 61.6 | Low | 18 Ų | 18 | 68.9 Ų | 68.9 | 9% | 0.094 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -77.3 | -17 | -176.3 | -88.4 | 93.7 | 0 | 0 | 0 | 114.5 | Y1133 T1199 S1204 L1205 F1223 | Y1133-L1202 HydrophobicContact CD1-CD1 4.26Å; Y1133-L1202 HydrophobicContact CD1-CD2 3.55Å; Y1133-L1202 HydrophobicContact CD2-CD1 3.48Å; Y1133-L1202 VanDerWaalsContact CD2-CD1 3.48Å; Y1133-L1202 HydrophobicContact CD2-CD2 4.18Å; Y1133-L1202 HydrophobicContact CD2-CG 4.47Å; Y1133-L1202 HydrophobicContact CE1-CD1 4.46Å; Y1133-L1202 HydrophobicContact CE1-CD2 4.17Å; Y1133-L1202 HydrophobicContact CE2-CD1 3.73Å; Y1133-L1202 HydrophobicContact CG-CD1 3.77Å; Y1133-L1202 HydrophobicContact CG-CD2 3.55Å; Y1133-L1202 HydrophobicContact CG-CG 4.31Å; T1199-L1202 WeakPolarHBondContact OG1-CD1 3.29Å; L1202-S1204 PolarHBondContact O-N 2.92Å; L1202-L1205 PolarHBondContact O-N 3.32Å; L1202-F1223 HydrophobicContact CD2-CD2 3.74Å; L1202-F1223 HydrophobicContact CD2-CE1 4.45Å; L1202-F1223 HydrophobicContact CD2-CE2 3.59Å; L1202-F1223 HydrophobicContact CD2-CG 4.26Å; L1202-F1223 HydrophobicContact CD2-CZ 3.97Å |
| 1203 | N | 57.9 | Low | 62.9 | Low | 134 Ų | 134 | 65.1 Ų | 65.1 | 72% | 0.717 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -63.4 | -7.5 | -177.4 | -72.6 | -6.3 | 0 | 0 | 0 | 114.6 | S1201 | S1201-N1203 VanDerWaalsContact C-N 3.35Å; S1201-N1203 PolarHBondContact O-N 3.42Å |
| 1204 | S | 68.5 | Low | 64.6 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 50% | 0.503 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -96.6 | -19.5 | 178.5 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | Q1186 S1201 L1202 | Q1186-S1204 PolarHBondContact NE2-O 3.14Å; S1201-S1204 PolarHBondContact O-OG 3.31Å; L1202-S1204 PolarHBondContact O-N 2.92Å |
| 1205 | L | 75.3 | Confident | 65.9 | Low | 19 Ų | 19 | 58.6 Ų | 58.6 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -94.8 | 135.6 | -169.6 | -63.7 | 175.6 | 0 | 0 | 0 | 112.1 | I1135 L1202 F1223 | I1135-L1205 HydrophobicContact CD1-CD1 3.95Å; I1135-L1205 HydrophobicContact CG1-CD1 4.28Å; I1135-L1205 HydrophobicContact CG2-CD1 4.21Å; L1202-L1205 PolarHBondContact O-N 3.32Å; L1205-F1223 HydrophobicContact CB-CB 4.13Å; L1205-F1223 HydrophobicContact CB-CD1 4.25Å; L1205-F1223 HydrophobicContact CD1-CB 4.37Å |
| 1206 | P | 84 | Confident | 67.7 | Low | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 134.1 | 174.3 | 28.5 | -36.1 | 0 | 0 | 0 | 112.3 | V1163 Q1186 P1187 F1223 L1224 Y1226 | V1163-P1206 HydrophobicContact CG1-CB 3.86Å; V1163-P1206 HydrophobicContact CG1-CG 3.93Å; Q1186-P1206 HydrophobicContact CG-CG 3.91Å; P1187-P1206 HydrophobicContact CG-CB 3.99Å; P1187-P1206 HydrophobicContact CG-CG 4.29Å; P1206-F1223 WeakPolarHBondContact O-CA 3.33Å; P1206-L1224 WeakPolarHBondContact CD-O 3.38Å; P1206-L1224 HydrophobicContact CG-CB 4.47Å; P1206-L1224 PolarHBondContact O-N 3.33Å; P1206-Y1226 HydrophobicContact CG-CE2 4.11Å |
| 1207 | E | 86.7 | Confident | 69.6 | Low | 48 Ų | 48 | 56.4 Ų | 56.4 | 22% | 0.224 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 140.6 | 173.1 | -176 | 173.4 | -136.5 | 0 | 0 | 111.2 | V1163 G1164 I1209 T1220 F1223 | V1163-E1207 WeakPolarHBondContact CA-O 3.29Å; G1164-E1207 PolarHBondContact N-O 3.05Å; E1207-I1209 HydrophobicContact CG-CG1 4.03Å; E1207-T1220 HydrophobicContact CG-CG2 4.18Å; E1207-T1220 WeakPolarHBondContact OE1-CG2 3.46Å; E1207-F1223 HydrophobicContact CB-CD1 4.28Å; E1207-F1223 HydrophobicContact CB-CE1 4.09Å |
| 1208 | V | 88.9 | Confident | 72 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 113.8 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 109.8 | F1125 L1143 I1145 V1161 F1162 V1163 I1221 G1222 L1224 | F1125-V1208 HydrophobicContact CE2-CB 4.2Å; F1125-V1208 HydrophobicContact CE2-CG2 3.8Å; F1125-V1208 HydrophobicContact CZ-CB 4.2Å; F1125-V1208 HydrophobicContact CZ-CG1 4.29Å; F1125-V1208 HydrophobicContact CZ-CG2 3.98Å; L1143-V1208 HydrophobicContact CD2-CG1 4.06Å; L1143-V1208 HydrophobicContact CD2-CG2 4.27Å; I1145-V1208 HydrophobicContact CD1-CG1 3.91Å; V1161-V1208 HydrophobicContact CG1-CG1 4.05Å; F1162-V1208 CarbonylContact O-C 3.55Å; F1162-V1208 WeakPolarHBondContact O-CA 3.39Å; V1163-V1208 HydrophobicContact CG2-CG2 4.32Å; V1208-I1221 HydrophobicContact CB-CB 4.35Å; V1208-I1221 HydrophobicContact CG1-CB 4.34Å; V1208-I1221 HydrophobicContact CG1-CG1 4.49Å; V1208-I1221 PolarHBondContact O-N 3.03Å; V1208-G1222 PolarHBondContact N-O 2.81Å; V1208-L1224 HydrophobicContact CG2-CB 3.92Å |
| 1209 | I | 89.8 | Confident | 74.4 | Confident | 30 Ų | 30 | 46.2 Ų | 46.2 | 15% | 0.154 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 125.9 | -176.7 | -51 | -179.2 | 0 | 0 | 0 | 110 | V1161 F1162 E1207 N1218 Y1219 T1220 | V1161-I1209 CarbonylContact C-O 3.5Å; V1161-I1209 WeakPolarHBondContact CA-O 2.88Å; F1162-I1209 HydrophobicContact CB-CB 4.41Å; F1162-I1209 PolarHBondContact N-O 3Å; F1162-I1209 PolarHBondContact O-N 3.43Å; E1207-I1209 HydrophobicContact CG-CG1 4.03Å; I1209-N1218 HydrophobicContact CG2-CB 4.34Å; I1209-Y1219 CarbonylContact C-O 3.58Å; I1209-Y1219 WeakPolarHBondContact CA-O 3.33Å; I1209-T1220 HydrophobicContact CD1-CG2 4.46Å; I1209-T1220 HydrophobicContact CG1-CG2 4.03Å |
| 1210 | V | 90.2 | Very high | 76.7 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 116.8 | 171.8 | -174.6 | 0 | 0 | 0 | 0 | 109.2 | F1122 I1145 I1159 V1161 L1212 N1218 Y1219 I1221 | F1122-V1210 HydrophobicContact CD2-CG1 4.45Å; F1122-V1210 HydrophobicContact CE1-CG1 4.24Å; F1122-V1210 HydrophobicContact CE2-CB 4.41Å; F1122-V1210 HydrophobicContact CE2-CG1 3.82Å; F1122-V1210 HydrophobicContact CZ-CG1 3.71Å; I1145-V1210 HydrophobicContact CD1-CG2 3.69Å; I1159-V1210 HydrophobicContact CG2-CG1 3.76Å; V1161-V1210 HydrophobicContact CG1-CG2 4.43Å; V1161-V1210 HydrophobicContact CG2-CG1 4.49Å; V1161-V1210 HydrophobicContact CG2-CG2 4.24Å; V1210-L1212 HydrophobicContact CG1-CD2 4.25Å; V1210-N1218 CarbonylContact O-C 3.43Å; V1210-N1218 WeakPolarHBondContact O-CA 3.48Å; V1210-Y1219 PolarHBondContact N-O 3.14Å; V1210-Y1219 PolarHBondContact O-N 3.31Å; V1210-I1221 HydrophobicContact CG2-CD1 4.06Å; V1210-I1221 HydrophobicContact CG2-CG1 3.71Å |
| 1211 | S | 89.6 | Confident | 78.7 | Confident | 17 Ų | 17 | 41.7 Ų | 41.7 | 12% | 0.119 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 134.2 | -179.5 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | R1160 N1218 | R1160-S1211 PolarHBondContact N-O 2.86Å; R1160-S1211 PolarHBondContact O-N 3.46Å; S1211-N1218 WeakPolarHBondContact CA-OD1 3.37Å; S1211-N1218 WeakPolarHBondContact CB-OD1 3.46Å; S1211-N1218 PolarHBondContact OG-OD1 3.11Å |
| 1212 | L | 87.4 | Confident | 80.3 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 137.8 | -174.5 | -55.4 | -177.7 | 0 | 0 | 0 | 112.8 | I1022 P1120 F1122 L1154 I1159 V1210 A1214 G1215 N1216 R1217 Y1219 | I1022-L1212 HydrophobicContact CD1-CB 4.39Å; I1022-L1212 HydrophobicContact CD1-CD1 4.17Å; P1120-L1212 HydrophobicContact CG-CD1 3.47Å; P1120-L1212 VanDerWaalsContact CG-CD1 3.47Å; P1120-L1212 HydrophobicContact CG-CD2 4.35Å; F1122-L1212 HydrophobicContact CE2-CD1 4.47Å; F1122-L1212 HydrophobicContact CE2-CD2 4.2Å; F1122-L1212 HydrophobicContact CZ-CD2 4.22Å; L1154-L1212 HydrophobicContact CD1-CD1 4.4Å; L1154-L1212 HydrophobicContact CD1-CD2 3.97Å; I1159-L1212 HydrophobicContact CG1-CD2 3.97Å; I1159-L1212 HydrophobicContact CG2-CD2 4.35Å; V1210-L1212 HydrophobicContact CG1-CD2 4.25Å; L1212-A1214 PolarHBondContact O-N 2.75Å; L1212-G1215 WeakPolarHBondContact O-CA 3.48Å; L1212-G1215 PolarHBondContact O-N 2.86Å; L1212-N1216 PolarHBondContact O-N 2.78Å; L1212-R1217 PolarHBondContact N-O 3.29Å; L1212-Y1219 HydrophobicContact CD1-CD2 4.38Å; L1212-Y1219 HydrophobicContact CD1-CE2 3.81Å |
| 1213 | G | 79 | Confident | 81.7 | Confident | 14 Ų | 14 | 39.9 Ų | 39.9 | 14% | 0.144 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -128.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1026 D1158 G1215 | G1026-G1213 CarbonylContact O-C 3.5Å; G1026-G1213 WeakPolarHBondContact O-CA 3.29Å; D1158-G1213 PolarHBondContact O-N 3.06Å; G1213-G1215 PolarHBondContact O-N 3.26Å |
| 1214 | A | 77.6 | Confident | 83 | Confident | 58 Ų | 58 | 33.5 Ų | 33.5 | 48% | 0.479 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | 5.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | G1026 Y1068 L1212 | G1026-A1214 PolarHBondContact O-N 2.91Å; Y1068-A1214 HydrophobicContact CD1-CB 3.96Å; Y1068-A1214 HydrophobicContact CE1-CB 3.92Å; L1212-A1214 PolarHBondContact O-N 2.75Å |
| 1215 | G | 69.8 | Low | 83.6 | Confident | 30 Ų | 30 | 30.5 Ų | 30.5 | 31% | 0.309 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.6 | 15 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L1212 G1213 R1217 | L1212-G1215 WeakPolarHBondContact O-CA 3.48Å; L1212-G1215 PolarHBondContact O-N 2.86Å; G1213-G1215 PolarHBondContact O-N 3.26Å; G1215-R1217 PolarHBondContact O-N 2.97Å |
| 1216 | N | 74.6 | Confident | 83.8 | Confident | 85 Ų | 85 | 31.7 Ų | 31.7 | 46% | 0.455 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -26.6 | -177.7 | -68.5 | 20.6 | 0 | 0 | 0 | 112.8 | S1024 L1212 | S1024-N1216 WeakPolarHBondContact O-CB 3.41Å; S1024-N1216 PolarHBondContact O-ND2 2.96Å; L1212-N1216 PolarHBondContact O-N 2.78Å |
| 1217 | R | 81.3 | Confident | 83 | Confident | 79 Ų | 79 | 37.1 Ų | 37.1 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 128.8 | 179.2 | -168.4 | 159.6 | 170.9 | 149.4 | 2.5 | 110.7 | S1024 D1119 L1212 G1215 Y1219 | S1024-R1217 WeakPolarHBondContact OG-CD 3.48Å; D1119-R1217 WeakPolarHBondContact OD2-CD 3.1Å; D1119-R1217 IonicContact OD2-CZ 2.75Å; D1119-R1217 IonicContact OD2-NE 3.71Å; D1119-R1217 IonicContact OD2-NH1 3.16Å; D1119-R1217 PolarHBondContact OD2-NH1 2.75Å; L1212-R1217 PolarHBondContact N-O 3.29Å; G1215-R1217 PolarHBondContact O-N 2.97Å; R1217-Y1219 HydrophobicContact CG-CE2 3.91Å; R1217-Y1219 PolarHBondContact NE-OH 2.76Å; R1217-Y1219 PolarHBondContact NH2-OH 2.83Å; R1217-Y1219 VanDerWaalsContact NH2-OH 3.12Å |
| 1218 | N | 84.6 | Confident | 81.5 | Confident | 97 Ų | 97 | 39 Ų | 39 | 52% | 0.519 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 139.2 | -177 | -63.7 | -27.8 | 0 | 0 | 0 | 110.2 | I1209 V1210 S1211 | I1209-N1218 HydrophobicContact CG2-CB 4.34Å; V1210-N1218 CarbonylContact O-C 3.43Å; V1210-N1218 WeakPolarHBondContact O-CA 3.48Å; S1211-N1218 WeakPolarHBondContact CA-OD1 3.37Å; S1211-N1218 WeakPolarHBondContact CB-OD1 3.46Å; S1211-N1218 PolarHBondContact OG-OD1 3.11Å |
| 1219 | Y | 85.7 | Confident | 79.5 | Confident | 33 Ų | 33 | 43.1 Ų | 43.1 | 13% | 0.129 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.8 | 179.3 | -68.8 | -89.8 | 0 | 0 | 0 | 110.9 | P1120 F1122 I1209 V1210 L1212 R1217 | P1120-Y1219 VanDerWaalsContact O-CZ 3.23Å; P1120-Y1219 PolarHBondContact O-OH 2.91Å; F1122-Y1219 HydrophobicContact CD2-CD1 4.27Å; F1122-Y1219 AromaticContact CD2-CD2 3.59Å; F1122-Y1219 HydrophobicContact CD2-CD2 3.59Å; F1122-Y1219 AromaticContact CD2-CE2 3.92Å; F1122-Y1219 HydrophobicContact CD2-CE2 3.92Å; F1122-Y1219 AromaticContact CD2-CG 3.76Å; F1122-Y1219 HydrophobicContact CD2-CG 3.76Å; F1122-Y1219 AromaticContact CE2-CD2 3.74Å; F1122-Y1219 HydrophobicContact CE2-CD2 3.74Å; F1122-Y1219 AromaticContact CE2-CE2 3.93Å; F1122-Y1219 HydrophobicContact CE2-CE2 3.93Å; F1122-Y1219 HydrophobicContact CE2-CG 4.37Å; I1209-Y1219 CarbonylContact C-O 3.58Å; I1209-Y1219 WeakPolarHBondContact CA-O 3.33Å; V1210-Y1219 PolarHBondContact N-O 3.14Å; V1210-Y1219 PolarHBondContact O-N 3.31Å; L1212-Y1219 HydrophobicContact CD1-CD2 4.38Å; L1212-Y1219 HydrophobicContact CD1-CE2 3.81Å; R1217-Y1219 HydrophobicContact CG-CE2 3.91Å; R1217-Y1219 PolarHBondContact NE-OH 2.76Å; R1217-Y1219 PolarHBondContact NH2-OH 2.83Å; R1217-Y1219 VanDerWaalsContact NH2-OH 3.12Å |
| 1220 | T | 86.6 | Confident | 77.1 | Confident | 71 Ų | 71 | 47.2 Ų | 47.2 | 44% | 0.436 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 105.7 | 174.8 | 33.1 | 0 | 0 | 0 | 0 | 110.2 | F1124 E1207 I1209 | F1124-T1220 VanDerWaalsContact CD1-O 3.31Å; F1124-T1220 WeakPolarHBondContact CD1-O 3.44Å; F1124-T1220 VanDerWaalsContact CE1-O 3.27Å; F1124-T1220 WeakPolarHBondContact CE1-O 3.41Å; E1207-T1220 HydrophobicContact CG-CG2 4.18Å; E1207-T1220 WeakPolarHBondContact OE1-CG2 3.46Å; I1209-T1220 HydrophobicContact CD1-CG2 4.46Å; I1209-T1220 HydrophobicContact CG1-CG2 4.03Å |
| 1221 | I | 87.1 | Confident | 74.6 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | -31.7 | -168.6 | -55.1 | -56.9 | 0 | 0 | 0 | 112.6 | F1122 F1124 F1125 I1145 V1208 V1210 | F1122-I1221 HydrophobicContact CB-CD1 3.55Å; F1122-I1221 HydrophobicContact CG-CD1 4.23Å; F1124-I1221 WeakPolarHBondContact CA-O 3.46Å; F1125-I1221 HydrophobicContact CD1-CG2 3.62Å; F1125-I1221 HydrophobicContact CD2-CG2 4.46Å; F1125-I1221 HydrophobicContact CE1-CG2 3.4Å; F1125-I1221 VanDerWaalsContact CE1-CG2 3.4Å; F1125-I1221 HydrophobicContact CE2-CG2 4.29Å; F1125-I1221 HydrophobicContact CG-CG2 4.16Å; F1125-I1221 HydrophobicContact CZ-CB 4.48Å; F1125-I1221 HydrophobicContact CZ-CG2 3.77Å; F1125-I1221 PolarHBondContact N-O 2.65Å; I1145-I1221 HydrophobicContact CD1-CG1 4.46Å; I1145-I1221 HydrophobicContact CG2-CD1 4.18Å; I1145-I1221 HydrophobicContact CG2-CG1 4.18Å; I1145-I1221 HydrophobicContact CG2-CG2 4.18Å; V1208-I1221 HydrophobicContact CB-CB 4.35Å; V1208-I1221 HydrophobicContact CG1-CB 4.34Å; V1208-I1221 HydrophobicContact CG1-CG1 4.49Å; V1208-I1221 PolarHBondContact O-N 3.03Å; V1210-I1221 HydrophobicContact CG2-CD1 4.06Å; V1210-I1221 HydrophobicContact CG2-CG1 3.71Å |
| 1222 | G | 85.5 | Confident | 71.7 | Confident | 5 Ų | 5 | 63.3 Ų | 63.3 | 5% | 0.052 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147.5 | -165 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P1134 V1208 | P1134-G1222 WeakPolarHBondContact O-CA 2.83Å; V1208-G1222 PolarHBondContact N-O 2.81Å |
| 1223 | F | 85.8 | Confident | 69.4 | Low | 43 Ų | 43 | 66.7 Ų | 66.7 | 19% | 0.189 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 141.2 | -177.3 | -62.2 | -89.7 | 0 | 0 | 0 | 111.1 | P1134 I1135 K1136 L1202 L1205 P1206 E1207 | P1134-F1223 PolarHBondContact O-N 2.75Å; I1135-F1223 WeakPolarHBondContact CA-O 3.47Å; I1135-F1223 HydrophobicContact CG1-CB 4.36Å; K1136-F1223 PolarHBondContact N-O 3.4Å; L1202-F1223 HydrophobicContact CD2-CD2 3.74Å; L1202-F1223 HydrophobicContact CD2-CE1 4.45Å; L1202-F1223 HydrophobicContact CD2-CE2 3.59Å; L1202-F1223 HydrophobicContact CD2-CG 4.26Å; L1202-F1223 HydrophobicContact CD2-CZ 3.97Å; L1205-F1223 HydrophobicContact CB-CB 4.13Å; L1205-F1223 HydrophobicContact CB-CD1 4.25Å; L1205-F1223 HydrophobicContact CD1-CB 4.37Å; P1206-F1223 WeakPolarHBondContact O-CA 3.33Å; E1207-F1223 HydrophobicContact CB-CD1 4.28Å; E1207-F1223 HydrophobicContact CB-CE1 4.09Å |
| 1224 | L | 84.8 | Confident | 67.3 | Low | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 124.5 | 177.5 | -167.3 | 72.4 | 0 | 0 | 0 | 110 | K1136 F1138 L1143 V1163 P1182 P1206 V1208 Y1226 | K1136-L1224 HydrophobicContact CB-CD1 4.48Å; F1138-L1224 HydrophobicContact CB-CD1 4.18Å; F1138-L1224 HydrophobicContact CB-CG 4.29Å; F1138-L1224 HydrophobicContact CD2-CD2 4.47Å; L1143-L1224 HydrophobicContact CD1-CD1 3.96Å; L1143-L1224 HydrophobicContact CD2-CD2 4.44Å; V1163-L1224 HydrophobicContact CG1-CB 4.45Å; V1163-L1224 HydrophobicContact CG1-CD2 3.91Å; P1182-L1224 HydrophobicContact CB-CD2 4.28Å; P1206-L1224 WeakPolarHBondContact CD-O 3.38Å; P1206-L1224 HydrophobicContact CG-CB 4.47Å; P1206-L1224 PolarHBondContact O-N 3.33Å; V1208-L1224 HydrophobicContact CG2-CB 3.92Å; L1224-Y1226 HydrophobicContact CD2-CE2 3.78Å; L1224-Y1226 HydrophobicContact CG-CE2 4.23Å |
| 1225 | S | 80.7 | Confident | 65.6 | Low | 9 Ų | 9 | 77 Ų | 77 | 6% | 0.063 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 129.5 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | K1136 F1138 D1227 | K1136-S1225 PolarHBondContact O-N 2.71Å; F1138-S1225 WeakPolarHBondContact CB-O 3.48Å; F1138-S1225 PolarHBondContact N-O 3.03Å; S1225-D1227 PolarHBondContact OG-N 2.92Å |
| 1226 | Y | 79.7 | Confident | 64.5 | Low | 43 Ų | 43 | 79.6 Ų | 79.6 | 17% | 0.169 | 46% | 0.459 | C | S | . | . | trans | -88.7 | -9.7 | 176.1 | -71.5 | -104.9 | 0 | 0 | 0 | 112.6 | F1138 P1183 Q1186 P1206 L1224 | F1138-Y1226 AromaticContact CD1-CD1 3.83Å; F1138-Y1226 HydrophobicContact CD1-CD1 3.83Å; F1138-Y1226 AromaticContact CD1-CE1 3.89Å; F1138-Y1226 HydrophobicContact CD1-CE1 3.89Å; F1138-Y1226 HydrophobicContact CE1-CD1 4.43Å; F1138-Y1226 HydrophobicContact CE1-CE1 4.18Å; P1183-Y1226 VanDerWaalsContact O-CE1 3.25Å; P1183-Y1226 WeakPolarHBondContact O-CE1 3.49Å; P1183-Y1226 PolarHBondContact O-OH 2.93Å; Q1186-Y1226 HydrophobicContact CB-CD2 3.63Å; Q1186-Y1226 HydrophobicContact CB-CE2 4.03Å; Q1186-Y1226 HydrophobicContact CB-CG 4Å; Q1186-Y1226 HydrophobicContact CG-CD2 3.69Å; Q1186-Y1226 HydrophobicContact CG-CE2 4.06Å; Q1186-Y1226 HydrophobicContact CG-CG 4.48Å; P1206-Y1226 HydrophobicContact CG-CE2 4.11Å; L1224-Y1226 HydrophobicContact CD2-CE2 3.78Å; L1224-Y1226 HydrophobicContact CG-CE2 4.23Å | ||
| 1227 | D | 66.9 | Low | 63 | Low | 115 Ų | 115 | 83.1 Ų | 83.1 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -85.9 | 132.8 | -178 | -70.9 | -45.8 | 0 | 0 | 0 | 112.4 | Y1137 S1225 | Y1137-D1227 VanDerWaalsContact CD1-O 3.3Å; Y1137-D1227 WeakPolarHBondContact CD1-O 3.45Å; S1225-D1227 PolarHBondContact OG-N 2.92Å |
| 1228 | S | 55.2 | Low | 61.4 | Low | 87 Ų | 87 | 86.9 Ų | 86.9 | 61% | 0.608 | 50% | 0.498 | S | S | * | . | trans | -77 | 134.8 | 175.3 | 66.2 | 0 | 0 | 0 | 0 | 111.9 | T1230 | S1228-T1230 PolarHBondContact O-N 2.86Å; S1228-T1230 PolarHBondContact O-OG1 3.35Å | ||
| 1229 | P | 47.4 | Very low | 59.9 | Low | 86 Ų | 86 | 87.1 Ų | 87.1 | 56% | 0.558 | 50% | 0.503 | S | S | * | . | trans | -68.6 | 100 | 177.7 | 27.4 | -34.2 | 0 | 0 | 0 | 111 | ||||
| 1230 | T | 40.7 | Very low | 58.4 | Low | 116 Ų | 116 | 91.9 Ų | 91.9 | 71% | 0.712 | 53% | 0.529 | S | S | * | . | trans | -106.6 | 91.1 | 179.3 | 41.5 | 0 | 0 | 0 | 0 | 110.5 | S1228 | S1228-T1230 PolarHBondContact O-N 2.86Å; S1228-T1230 PolarHBondContact O-OG1 3.35Å | ||
| 1231 | V | 36.4 | Very low | 56.7 | Low | 135 Ų | 135 | 90.8 Ų | 90.8 | 82% | 0.818 | 53% | 0.528 | S | S | * | . | trans | -126.8 | 81.9 | 171.2 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1232 | F | 29.8 | Very low | 55.2 | Low | 220 Ų | 220 | 96 Ų | 96 | 97% | 0.965 | 55% | 0.554 | S | S | * | * | trans | -84 | 100.5 | 156.3 | -85.5 | -92.4 | 0 | 0 | 0 | 108 | ||||
| 1233 | G | 37.5 | Very low | 53.8 | Low | 73 Ų | 73 | 102.4 Ų | 102.4 | 75% | 0.753 | 59% | 0.586 | S | S | * | * | trans | -109.8 | 100.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1234 | S | 36.7 | Very low | 52.4 | Low | 113 Ų | 113 | 102.3 Ų | 102.3 | 79% | 0.79 | 59% | 0.593 | S | S | * | * | trans | -82.2 | 133.7 | -174.4 | 54.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1235 | L | 40.3 | Very low | 51.1 | Low | 176 Ų | 176 | 105 Ų | 105 | 92% | 0.921 | 61% | 0.613 | S | S | * | * | trans | -153 | 152.5 | 153.5 | -97.8 | 132.8 | 0 | 0 | 0 | 109.9 | ||||
| 1236 | S | 46.3 | Very low | 50.5 | Low | 84 Ų | 84 | 109.5 Ų | 109.5 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | trans | -60.6 | 132 | -146.1 | 55.4 | 0 | 0 | 0 | 0 | 117.6 | E1238 | S1236-E1238 PolarHBondContact O-N 2.74Š| ||
| 1237 | L | 44.4 | Very low | 49.6 | Very low | 160 Ų | 160 | 114 Ų | 114 | 84% | 0.838 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -26.8 | -164 | -154 | 79.1 | 0 | 0 | 0 | 116.4 | A1241 | L1237-A1241 WeakPolarHBondContact O-CB 3.5Š|
| 1238 | E | 48.3 | Very low | 49.5 | Very low | 158 Ų | 158 | 112.6 Ų | 112.6 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -33.2 | -160.5 | -62.2 | -170.9 | 149.2 | 0 | 0 | 115.7 | S1236 A1241 | S1236-E1238 PolarHBondContact O-N 2.74Å; E1238-A1241 WeakPolarHBondContact O-CB 3.34Å |
| 1239 | T | 52.3 | Low | 50.1 | Low | 101 Ų | 101 | 110.5 Ų | 110.5 | 62% | 0.62 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -89.1 | -41.6 | -166.9 | 6.8 | 0 | 0 | 0 | 0 | 113.9 | A1241 I1242 | T1239-A1241 PolarHBondContact O-N 3.44Å; T1239-I1242 PolarHBondContact O-N 2.94Å |
| 1240 | I | 53.8 | Low | 51.4 | Low | 133 Ų | 133 | 113 Ų | 113 | 68% | 0.682 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -64.2 | -34.3 | 171.4 | -60.2 | 175.8 | 0 | 0 | 0 | 109 | I1242 A1244 | I1240-I1242 VanDerWaalsContact C-N 3.27Å; I1240-I1242 PolarHBondContact O-N 3.15Å; I1240-A1244 HydrophobicContact CG2-CB 4.47Å; I1240-A1244 WeakPolarHBondContact O-CB 3.34Å; I1240-A1244 PolarHBondContact O-N 2.94Å; I1240-A1244 VanDerWaalsContact O-N 3.12Å |
| 1241 | A | 50.1 | Low | 52.9 | Low | 49 Ų | 49 | 110 Ų | 110 | 41% | 0.405 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -55.2 | -36.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1237 E1238 T1239 S1245 | L1237-A1241 WeakPolarHBondContact O-CB 3.5Å; E1238-A1241 WeakPolarHBondContact O-CB 3.34Å; T1239-A1241 PolarHBondContact O-N 3.44Å; A1241-S1245 VanDerWaalsContact O-CA 3.22Å; A1241-S1245 WeakPolarHBondContact O-CA 3.41Å; A1241-S1245 WeakPolarHBondContact O-CB 3.21Å; A1241-S1245 PolarHBondContact O-N 2.94Å; A1241-S1245 PolarHBondContact O-OG 3.02Å |
| 1242 | I | 57.2 | Low | 54.4 | Low | 108 Ų | 108 | 105.5 Ų | 105.5 | 55% | 0.554 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.9 | -56.9 | -174.7 | -64.3 | 171.4 | 0 | 0 | 0 | 112.8 | T1239 I1240 S1245 V1246 | T1239-I1242 PolarHBondContact O-N 2.94Å; I1240-I1242 VanDerWaalsContact C-N 3.27Å; I1240-I1242 PolarHBondContact O-N 3.15Å; I1242-S1245 WeakPolarHBondContact CA-OG 3.21Å; I1242-S1245 CarbonylContact O-C 3.53Å; I1242-S1245 WeakPolarHBondContact O-CA 3.4Å; I1242-S1245 PolarHBondContact O-N 2.93Å; I1242-S1245 PolarHBondContact O-OG 3.31Å; I1242-V1246 PolarHBondContact O-N 2.71Å |
| 1243 | I | 54.8 | Low | 56.6 | Low | 141 Ų | 141 | 98.9 Ų | 98.9 | 72% | 0.723 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -73.8 | -36.7 | -175.3 | -61.1 | 176.1 | 0 | 0 | 0 | 110.8 | S1245 V1246 | I1243-S1245 VanDerWaalsContact C-N 3.31Å; I1243-V1246 PolarHBondContact O-N 2.81Å |
| 1244 | A | 56.3 | Low | 58.5 | Low | 41 Ų | 41 | 99.6 Ų | 99.6 | 34% | 0.339 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.4 | -44.7 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1240 V1246 L1247 V1248 | I1240-A1244 HydrophobicContact CG2-CB 4.47Å; I1240-A1244 WeakPolarHBondContact O-CB 3.34Å; I1240-A1244 PolarHBondContact O-N 2.94Å; I1240-A1244 VanDerWaalsContact O-N 3.12Å; A1244-V1246 PolarHBondContact O-N 2.84Å; A1244-V1246 VanDerWaalsContact O-N 3.1Å; A1244-L1247 PolarHBondContact O-N 2.87Å; A1244-V1248 HydrophobicContact CB-CG2 4.25Å; A1244-V1248 VanDerWaalsContact O-CA 3.31Å; A1244-V1248 WeakPolarHBondContact O-CA 3.34Å; A1244-V1248 WeakPolarHBondContact O-CB 3.42Å; A1244-V1248 WeakPolarHBondContact O-CG2 3.42Å; A1244-V1248 PolarHBondContact O-N 2.97Å |
| 1245 | S | 58.3 | Low | 60.2 | Low | 58 Ų | 58 | 97.4 Ų | 97.4 | 41% | 0.406 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.2 | -17.4 | -178.9 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | A1241 I1242 I1243 A1249 | A1241-S1245 VanDerWaalsContact O-CA 3.22Å; A1241-S1245 WeakPolarHBondContact O-CA 3.41Å; A1241-S1245 WeakPolarHBondContact O-CB 3.21Å; A1241-S1245 PolarHBondContact O-N 2.94Å; A1241-S1245 PolarHBondContact O-OG 3.02Å; I1242-S1245 WeakPolarHBondContact CA-OG 3.21Å; I1242-S1245 CarbonylContact O-C 3.53Å; I1242-S1245 WeakPolarHBondContact O-CA 3.4Å; I1242-S1245 PolarHBondContact O-N 2.93Å; I1242-S1245 PolarHBondContact O-OG 3.31Å; I1243-S1245 VanDerWaalsContact C-N 3.31Å; S1245-A1249 WeakPolarHBondContact O-CA 3.17Å; S1245-A1249 WeakPolarHBondContact O-CB 3.38Å; S1245-A1249 PolarHBondContact O-N 2.99Å |
| 1246 | V | 67.2 | Low | 61.8 | Low | 103 Ų | 103 | 94.6 Ų | 94.6 | 62% | 0.624 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -83.2 | -45.8 | 175 | -178.5 | 0 | 0 | 0 | 0 | 110.9 | I1242 I1243 A1244 A1249 F1250 | I1242-V1246 PolarHBondContact O-N 2.71Å; I1243-V1246 PolarHBondContact O-N 2.81Å; A1244-V1246 PolarHBondContact O-N 2.84Å; A1244-V1246 VanDerWaalsContact O-N 3.1Å; V1246-A1249 PolarHBondContact O-N 2.88Å; V1246-F1250 PolarHBondContact O-N 2.62Å |
| 1247 | L | 62.8 | Low | 63.1 | Low | 136 Ų | 136 | 95.7 Ų | 95.7 | 71% | 0.712 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -75.3 | -34.7 | 175.9 | -93.2 | 164.8 | 0 | 0 | 0 | 112.4 | A1244 F1250 A1251 | A1244-L1247 PolarHBondContact O-N 2.87Å; L1247-F1250 PolarHBondContact O-N 3.08Å; L1247-A1251 WeakPolarHBondContact O-CA 3.33Å; L1247-A1251 WeakPolarHBondContact O-CB 3.39Å; L1247-A1251 PolarHBondContact O-N 3.05Å |
| 1248 | V | 62.7 | Low | 64.5 | Low | 87 Ų | 87 | 92.3 Ų | 92.3 | 53% | 0.527 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.1 | -27 | 168.5 | -177.4 | 0 | 0 | 0 | 0 | 110.8 | A1244 A1252 | A1244-V1248 HydrophobicContact CB-CG2 4.25Å; A1244-V1248 VanDerWaalsContact O-CA 3.31Å; A1244-V1248 WeakPolarHBondContact O-CA 3.34Å; A1244-V1248 WeakPolarHBondContact O-CB 3.42Å; A1244-V1248 WeakPolarHBondContact O-CG2 3.42Å; A1244-V1248 PolarHBondContact O-N 2.97Å; V1248-A1252 HydrophobicContact CG1-CB 4.18Å; V1248-A1252 WeakPolarHBondContact O-CA 3.47Å; V1248-A1252 WeakPolarHBondContact O-CB 3.28Å; V1248-A1252 PolarHBondContact O-N 2.94Å |
| 1249 | A | 68.8 | Low | 65.3 | Low | 42 Ų | 42 | 88.1 Ų | 88.1 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.1 | -39.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | S1245 V1246 A1252 I1253 | S1245-A1249 WeakPolarHBondContact O-CA 3.17Å; S1245-A1249 WeakPolarHBondContact O-CB 3.38Å; S1245-A1249 PolarHBondContact O-N 2.99Å; V1246-A1249 PolarHBondContact O-N 2.88Å; A1249-A1252 CarbonylContact O-C 3.54Å; A1249-I1253 HydrophobicContact CB-CD1 4.26Å; A1249-I1253 VanDerWaalsContact O-CA 3.27Å; A1249-I1253 WeakPolarHBondContact O-CA 3.35Å; A1249-I1253 WeakPolarHBondContact O-CB 3.39Å; A1249-I1253 VanDerWaalsContact O-CD1 3.26Å; A1249-I1253 WeakPolarHBondContact O-CD1 3.46Å; A1249-I1253 WeakPolarHBondContact O-CG1 3.49Å; A1249-I1253 PolarHBondContact O-N 2.78Å |
| 1250 | F | 74.6 | Confident | 66.2 | Low | 138 Ų | 138 | 85.3 Ų | 85.3 | 61% | 0.605 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -76.1 | -46.4 | 179.1 | -144.3 | -89.3 | 0 | 0 | 0 | 111.6 | V1246 L1247 A1252 I1253 I1254 | V1246-F1250 PolarHBondContact O-N 2.62Å; L1247-F1250 PolarHBondContact O-N 3.08Å; F1250-A1252 VanDerWaalsContact C-N 3.33Å; F1250-A1252 PolarHBondContact O-N 3.35Å; F1250-I1253 CarbonylContact O-C 3.6Å; F1250-I1253 PolarHBondContact O-N 3.09Å; F1250-I1254 HydrophobicContact CD1-CD1 4Å; F1250-I1254 HydrophobicContact CD1-CG1 4.42Å; F1250-I1254 HydrophobicContact CE1-CD1 3.88Å; F1250-I1254 HydrophobicContact CE1-CG1 4.37Å; F1250-I1254 PolarHBondContact O-N 2.88Å |
| 1251 | A | 72.3 | Confident | 67 | Low | 55 Ų | 55 | 86.9 Ų | 86.9 | 46% | 0.455 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.3 | -34.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.7 | L1247 V1255 | L1247-A1251 WeakPolarHBondContact O-CA 3.33Å; L1247-A1251 WeakPolarHBondContact O-CB 3.39Å; L1247-A1251 PolarHBondContact O-N 3.05Å; A1251-V1255 VanDerWaalsContact O-CA 3.28Å; A1251-V1255 WeakPolarHBondContact O-CA 3.49Å; A1251-V1255 WeakPolarHBondContact O-CB 3.43Å; A1251-V1255 WeakPolarHBondContact O-CG2 3.5Å; A1251-V1255 PolarHBondContact O-N 2.79Å |
| 1252 | A | 66.9 | Low | 67.7 | Low | 40 Ų | 40 | 92.5 Ų | 92.5 | 33% | 0.331 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -102.7 | 36.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1248 A1249 F1250 F1256 | V1248-A1252 HydrophobicContact CG1-CB 4.18Å; V1248-A1252 WeakPolarHBondContact O-CA 3.47Å; V1248-A1252 WeakPolarHBondContact O-CB 3.28Å; V1248-A1252 PolarHBondContact O-N 2.94Å; A1249-A1252 CarbonylContact O-C 3.54Å; F1250-A1252 VanDerWaalsContact C-N 3.33Å; F1250-A1252 PolarHBondContact O-N 3.35Å; A1252-F1256 VanDerWaalsContact C-N 3.28Å; A1252-F1256 WeakPolarHBondContact O-CB 3.49Å; A1252-F1256 PolarHBondContact O-N 2.89Å |
| 1253 | I | 77.5 | Confident | 68 | Low | 80 Ų | 80 | 94.4 Ų | 94.4 | 41% | 0.41 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -115.6 | -33.4 | 151.2 | -82.2 | 161.7 | 0 | 0 | 0 | 106.5 | A1249 F1250 F1256 L1257 | A1249-I1253 HydrophobicContact CB-CD1 4.26Å; A1249-I1253 VanDerWaalsContact O-CA 3.27Å; A1249-I1253 WeakPolarHBondContact O-CA 3.35Å; A1249-I1253 WeakPolarHBondContact O-CB 3.39Å; A1249-I1253 VanDerWaalsContact O-CD1 3.26Å; A1249-I1253 WeakPolarHBondContact O-CD1 3.46Å; A1249-I1253 WeakPolarHBondContact O-CG1 3.49Å; A1249-I1253 PolarHBondContact O-N 2.78Å; F1250-I1253 CarbonylContact O-C 3.6Å; F1250-I1253 PolarHBondContact O-N 3.09Å; I1253-F1256 CarbonylContact O-C 3.5Å; I1253-L1257 HydrophobicContact CG2-CD1 3.88Å; I1253-L1257 HydrophobicContact CG2-CG 4.32Å; I1253-L1257 VanDerWaalsContact O-CA 3.31Å; I1253-L1257 WeakPolarHBondContact O-CA 3.21Å; I1253-L1257 WeakPolarHBondContact O-CB 3.43Å; I1253-L1257 WeakPolarHBondContact O-CD1 3.5Å; I1253-L1257 WeakPolarHBondContact O-CG 3.4Å; I1253-L1257 PolarHBondContact O-N 2.96Å |
| 1254 | I | 77.1 | Confident | 68.5 | Low | 88 Ų | 88 | 93.8 Ų | 93.8 | 45% | 0.451 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.7 | -40.5 | 163.3 | -67.7 | 175.5 | 0 | 0 | 0 | 109.9 | F1250 L1257 L1258 | F1250-I1254 HydrophobicContact CD1-CD1 4Å; F1250-I1254 HydrophobicContact CD1-CG1 4.42Å; F1250-I1254 HydrophobicContact CE1-CD1 3.88Å; F1250-I1254 HydrophobicContact CE1-CG1 4.37Å; F1250-I1254 PolarHBondContact O-N 2.88Å; I1254-L1257 CarbonylContact O-C 3.38Å; I1254-L1257 PolarHBondContact O-N 2.73Å; I1254-L1258 HydrophobicContact CG2-CD1 3.93Å; I1254-L1258 HydrophobicContact CG2-CG 4.49Å; I1254-L1258 WeakPolarHBondContact O-CA 3.2Å; I1254-L1258 WeakPolarHBondContact O-CB 3.38Å; I1254-L1258 WeakPolarHBondContact O-CG 3.42Å; I1254-L1258 PolarHBondContact O-N 3.37Å |
| 1255 | V | 71.7 | Confident | 68.7 | Low | 68 Ų | 68 | 93.5 Ų | 93.5 | 41% | 0.412 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -85.8 | -13.1 | 171.6 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | A1251 L1259 | A1251-V1255 VanDerWaalsContact O-CA 3.28Å; A1251-V1255 WeakPolarHBondContact O-CA 3.49Å; A1251-V1255 WeakPolarHBondContact O-CB 3.43Å; A1251-V1255 WeakPolarHBondContact O-CG2 3.5Å; A1251-V1255 PolarHBondContact O-N 2.79Å; V1255-L1259 HydrophobicContact CG1-CD1 3.63Å; V1255-L1259 HydrophobicContact CG1-CG 3.73Å; V1255-L1259 VanDerWaalsContact O-CA 3.25Å; V1255-L1259 WeakPolarHBondContact O-CA 3.37Å; V1255-L1259 WeakPolarHBondContact O-CB 3.46Å; V1255-L1259 WeakPolarHBondContact O-CD1 3.45Å; V1255-L1259 WeakPolarHBondContact O-CG 3.41Å; V1255-L1259 PolarHBondContact O-N 3.46Å |
| 1256 | F | 73.7 | Confident | 68.8 | Low | 116 Ų | 116 | 92.5 Ų | 92.5 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -88.6 | -16.2 | 158.7 | -178.9 | -95 | 0 | 0 | 0 | 112.5 | A1252 I1253 L1259 V1260 | A1252-F1256 VanDerWaalsContact C-N 3.28Å; A1252-F1256 WeakPolarHBondContact O-CB 3.49Å; A1252-F1256 PolarHBondContact O-N 2.89Å; I1253-F1256 CarbonylContact O-C 3.5Å; F1256-L1259 CarbonylContact O-C 3.45Å; F1256-V1260 HydrophobicContact CD1-CG2 3.76Å; F1256-V1260 HydrophobicContact CD2-CG2 3.93Å; F1256-V1260 HydrophobicContact CE1-CG2 3.54Å; F1256-V1260 HydrophobicContact CE2-CG2 3.72Å; F1256-V1260 HydrophobicContact CG-CG2 3.96Å; F1256-V1260 HydrophobicContact CZ-CG2 3.52Å; F1256-V1260 WeakPolarHBondContact O-CA 3.32Å; F1256-V1260 WeakPolarHBondContact O-CB 3.19Å; F1256-V1260 WeakPolarHBondContact O-CG2 3.29Å; F1256-V1260 PolarHBondContact O-N 2.82Å |
| 1257 | L | 75.4 | Confident | 68.4 | Low | 107 Ų | 107 | 93.7 Ų | 93.7 | 56% | 0.56 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -92.2 | -14.4 | 167.3 | -71.2 | 168.3 | 0 | 0 | 0 | 111 | I1253 I1254 Y1261 | I1253-L1257 HydrophobicContact CG2-CD1 3.88Å; I1253-L1257 HydrophobicContact CG2-CG 4.32Å; I1253-L1257 VanDerWaalsContact O-CA 3.31Å; I1253-L1257 WeakPolarHBondContact O-CA 3.21Å; I1253-L1257 WeakPolarHBondContact O-CB 3.43Å; I1253-L1257 WeakPolarHBondContact O-CD1 3.5Å; I1253-L1257 WeakPolarHBondContact O-CG 3.4Å; I1253-L1257 PolarHBondContact O-N 2.96Å; I1254-L1257 CarbonylContact O-C 3.38Å; I1254-L1257 PolarHBondContact O-N 2.73Å; L1257-Y1261 VanDerWaalsContact O-CA 3.27Å; L1257-Y1261 WeakPolarHBondContact O-CA 3.43Å; L1257-Y1261 WeakPolarHBondContact O-CB 3.21Å; L1257-Y1261 PolarHBondContact O-N 3.43Å |
| 1258 | L | 73.5 | Confident | 68.1 | Low | 90 Ų | 90 | 92.5 Ų | 92.5 | 47% | 0.471 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -101.9 | -12.5 | 166.5 | -70.5 | 171.9 | 0 | 0 | 0 | 111.7 | I1254 R1262 | I1254-L1258 HydrophobicContact CG2-CD1 3.93Å; I1254-L1258 HydrophobicContact CG2-CG 4.49Å; I1254-L1258 WeakPolarHBondContact O-CA 3.2Å; I1254-L1258 WeakPolarHBondContact O-CB 3.38Å; I1254-L1258 WeakPolarHBondContact O-CG 3.42Å; I1254-L1258 PolarHBondContact O-N 3.37Å; L1258-R1262 VanDerWaalsContact C-N 3.35Å; L1258-R1262 VanDerWaalsContact O-CA 3.27Å; L1258-R1262 WeakPolarHBondContact O-CA 3.34Å; L1258-R1262 WeakPolarHBondContact O-CB 3.39Å; L1258-R1262 WeakPolarHBondContact O-CD 3.3Å; L1258-R1262 WeakPolarHBondContact O-CG 3.22Å; L1258-R1262 PolarHBondContact O-N 3Å |
| 1259 | L | 64.7 | Low | 68 | Low | 69 Ų | 69 | 94 Ų | 94 | 36% | 0.361 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 1.6 | 157.6 | -62.1 | 170.3 | 0 | 0 | 0 | 111.8 | V1255 F1256 R1262 R1263 | V1255-L1259 HydrophobicContact CG1-CD1 3.63Å; V1255-L1259 HydrophobicContact CG1-CG 3.73Å; V1255-L1259 VanDerWaalsContact O-CA 3.25Å; V1255-L1259 WeakPolarHBondContact O-CA 3.37Å; V1255-L1259 WeakPolarHBondContact O-CB 3.46Å; V1255-L1259 WeakPolarHBondContact O-CD1 3.45Å; V1255-L1259 WeakPolarHBondContact O-CG 3.41Å; V1255-L1259 PolarHBondContact O-N 3.46Å; F1256-L1259 CarbonylContact O-C 3.45Å; L1259-R1262 CarbonylContact O-C 3.57Å; L1259-R1263 VanDerWaalsContact C-N 3.27Å; L1259-R1263 HydrophobicContact CB-CG 4.45Å; L1259-R1263 VanDerWaalsContact O-CA 3.27Å; L1259-R1263 WeakPolarHBondContact O-CA 3.41Å; L1259-R1263 WeakPolarHBondContact O-CB 3.31Å; L1259-R1263 WeakPolarHBondContact O-CD 3.48Å; L1259-R1263 WeakPolarHBondContact O-CG 3.15Å; L1259-R1263 PolarHBondContact O-N 3.33Å |
| 1260 | V | 70.4 | Confident | 67.5 | Low | 43 Ų | 43 | 100.8 Ų | 100.8 | 26% | 0.261 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -38 | 155.5 | 171.5 | 0 | 0 | 0 | 0 | 107.2 | F1256 R1262 R1263 K1264 | F1256-V1260 HydrophobicContact CD1-CG2 3.76Å; F1256-V1260 HydrophobicContact CD2-CG2 3.93Å; F1256-V1260 HydrophobicContact CE1-CG2 3.54Å; F1256-V1260 HydrophobicContact CE2-CG2 3.72Å; F1256-V1260 HydrophobicContact CG-CG2 3.96Å; F1256-V1260 HydrophobicContact CZ-CG2 3.52Å; F1256-V1260 WeakPolarHBondContact O-CA 3.32Å; F1256-V1260 WeakPolarHBondContact O-CB 3.19Å; F1256-V1260 WeakPolarHBondContact O-CG2 3.29Å; F1256-V1260 PolarHBondContact O-N 2.82Å; V1260-R1262 VanDerWaalsContact C-N 3.26Å; V1260-R1262 PolarHBondContact O-N 2.86Å; V1260-R1263 CarbonylContact O-C 3.47Å; V1260-R1263 VanDerWaalsContact O-C 3.23Å; V1260-R1263 PolarHBondContact O-N 3.29Å; V1260-K1264 HydrophobicContact CG1-CB 4.11Å; V1260-K1264 WeakPolarHBondContact O-CA 3.42Å; V1260-K1264 WeakPolarHBondContact O-CB 3.45Å; V1260-K1264 PolarHBondContact O-N 3.28Å |
| 1261 | Y | 70.7 | Confident | 66.7 | Low | 166 Ų | 166 | 99.9 Ų | 99.9 | 65% | 0.651 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27.9 | 160.7 | -156.1 | -96.6 | 0 | 0 | 0 | 111.1 | L1257 S1265 | L1257-Y1261 VanDerWaalsContact O-CA 3.27Å; L1257-Y1261 WeakPolarHBondContact O-CA 3.43Å; L1257-Y1261 WeakPolarHBondContact O-CB 3.21Å; L1257-Y1261 PolarHBondContact O-N 3.43Å; Y1261-S1265 WeakPolarHBondContact O-CA 3.44Å; Y1261-S1265 WeakPolarHBondContact O-CB 3.24Å; Y1261-S1265 PolarHBondContact O-N 2.95Å |
| 1262 | R | 66 | Low | 65.7 | Low | 167 Ų | 167 | 103.9 Ų | 103.9 | 63% | 0.63 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 15.3 | 163.9 | -57.4 | 169.5 | 167.3 | 177.9 | -4.4 | 115.8 | L1258 L1259 V1260 T1266 | L1258-R1262 VanDerWaalsContact C-N 3.35Å; L1258-R1262 VanDerWaalsContact O-CA 3.27Å; L1258-R1262 WeakPolarHBondContact O-CA 3.34Å; L1258-R1262 WeakPolarHBondContact O-CB 3.39Å; L1258-R1262 WeakPolarHBondContact O-CD 3.3Å; L1258-R1262 WeakPolarHBondContact O-CG 3.22Å; L1258-R1262 PolarHBondContact O-N 3Å; L1259-R1262 CarbonylContact O-C 3.57Å; V1260-R1262 VanDerWaalsContact C-N 3.26Å; V1260-R1262 PolarHBondContact O-N 2.86Å; R1262-T1266 HydrophobicContact CB-CG2 4.03Å; R1262-T1266 VanDerWaalsContact O-CB 3.28Å; R1262-T1266 WeakPolarHBondContact O-CB 3.43Å; R1262-T1266 WeakPolarHBondContact O-CG2 3.34Å; R1262-T1266 PolarHBondContact O-OG1 3.29Å |
| 1263 | R | 61.8 | Low | 65.5 | Low | 148 Ų | 148 | 108.6 Ų | 108.6 | 56% | 0.558 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | 31.4 | 154.7 | -56.1 | 162.8 | 174.7 | 174.8 | -4.7 | 110.5 | L1259 V1260 K1267 | L1259-R1263 VanDerWaalsContact C-N 3.27Å; L1259-R1263 HydrophobicContact CB-CG 4.45Å; L1259-R1263 VanDerWaalsContact O-CA 3.27Å; L1259-R1263 WeakPolarHBondContact O-CA 3.41Å; L1259-R1263 WeakPolarHBondContact O-CB 3.31Å; L1259-R1263 WeakPolarHBondContact O-CD 3.48Å; L1259-R1263 WeakPolarHBondContact O-CG 3.15Å; L1259-R1263 PolarHBondContact O-N 3.33Å; V1260-R1263 CarbonylContact O-C 3.47Å; V1260-R1263 VanDerWaalsContact O-C 3.23Å; V1260-R1263 PolarHBondContact O-N 3.29Å; R1263-K1267 HydrophobicContact CB-CG 4.44Å; R1263-K1267 WeakPolarHBondContact O-CB 3.25Å; R1263-K1267 VanDerWaalsContact O-CD 3.31Å; R1263-K1267 WeakPolarHBondContact O-CD 3.31Å; R1263-K1267 WeakPolarHBondContact O-CG 3.32Å |
| 1264 | K | 65.9 | Low | 64.8 | Low | 128 Ų | 128 | 107 Ų | 107 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.6 | -27.2 | 166.9 | -162.5 | -176.8 | 178.6 | -177.1 | 0 | 109.4 | V1260 Q1268 | V1260-K1264 HydrophobicContact CG1-CB 4.11Å; V1260-K1264 WeakPolarHBondContact O-CA 3.42Å; V1260-K1264 WeakPolarHBondContact O-CB 3.45Å; V1260-K1264 PolarHBondContact O-N 3.28Å; K1264-Q1268 VanDerWaalsContact O-CA 3.28Å; K1264-Q1268 WeakPolarHBondContact O-CA 3.41Å; K1264-Q1268 WeakPolarHBondContact O-CB 3.45Å; K1264-Q1268 WeakPolarHBondContact O-CG 3.39Å; K1264-Q1268 PolarHBondContact O-N 3.48Å; K1264-Q1268 PolarHBondContact O-OE1 2.88Å |
| 1265 | S | 60.8 | Low | 63.9 | Low | 34 Ų | 34 | 107.1 Ų | 107.1 | 24% | 0.238 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -92.5 | -22.9 | 156.9 | -165.2 | 0 | 0 | 0 | 0 | 112.5 | Y1261 Q1269 | Y1261-S1265 WeakPolarHBondContact O-CA 3.44Å; Y1261-S1265 WeakPolarHBondContact O-CB 3.24Å; Y1261-S1265 PolarHBondContact O-N 2.95Å; S1265-Q1269 WeakPolarHBondContact O-CA 3.4Å; S1265-Q1269 WeakPolarHBondContact O-CB 3.39Å; S1265-Q1269 WeakPolarHBondContact O-CG 3.32Å; S1265-Q1269 PolarHBondContact O-N 2.9Å |
| 1266 | T | 60.6 | Low | 63.5 | Low | 38 Ų | 38 | 109.8 Ų | 109.8 | 23% | 0.233 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -99.6 | -5.9 | 156.4 | 94.1 | 0 | 0 | 0 | 0 | 114.5 | R1262 R1270 | R1262-T1266 HydrophobicContact CB-CG2 4.03Å; R1262-T1266 VanDerWaalsContact O-CB 3.28Å; R1262-T1266 WeakPolarHBondContact O-CB 3.43Å; R1262-T1266 WeakPolarHBondContact O-CG2 3.34Å; R1262-T1266 PolarHBondContact O-OG1 3.29Å; T1266-R1270 WeakPolarHBondContact O-CA 3.38Å; T1266-R1270 WeakPolarHBondContact O-CB 3.11Å; T1266-R1270 WeakPolarHBondContact O-CD 3.38Å; T1266-R1270 WeakPolarHBondContact O-CG 3.31Å; T1266-R1270 PolarHBondContact O-N 3.47Å |
| 1267 | K | 58 | Low | 62.8 | Low | 128 Ų | 128 | 109.8 Ų | 109.8 | 56% | 0.557 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -76.9 | -39.7 | 148.6 | -82.4 | -174.1 | 173.5 | -178.8 | 0 | 110.2 | R1263 R1270 Q1271 | R1263-K1267 HydrophobicContact CB-CG 4.44Å; R1263-K1267 WeakPolarHBondContact O-CB 3.25Å; R1263-K1267 VanDerWaalsContact O-CD 3.31Å; R1263-K1267 WeakPolarHBondContact O-CD 3.31Å; R1263-K1267 WeakPolarHBondContact O-CG 3.32Å; K1267-R1270 CarbonylContact O-C 3.6Å; K1267-R1270 PolarHBondContact O-N 3.32Å; K1267-Q1271 HydrophobicContact CB-CG 4.49Å; K1267-Q1271 VanDerWaalsContact O-CA 3.23Å; K1267-Q1271 WeakPolarHBondContact O-CA 3.21Å; K1267-Q1271 WeakPolarHBondContact O-CB 3.29Å; K1267-Q1271 WeakPolarHBondContact O-CG 3.2Å; K1267-Q1271 PolarHBondContact O-N 2.94Å; K1267-Q1271 PolarHBondContact O-OE1 2.75Å |
| 1268 | Q | 56.4 | Low | 62.3 | Low | 110 Ų | 110 | 109.5 Ų | 109.5 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.3 | -33.6 | 172.8 | -73.8 | 161.5 | -31.9 | 0 | 0 | 111.7 | K1264 M1272 | K1264-Q1268 VanDerWaalsContact O-CA 3.28Å; K1264-Q1268 WeakPolarHBondContact O-CA 3.41Å; K1264-Q1268 WeakPolarHBondContact O-CB 3.45Å; K1264-Q1268 WeakPolarHBondContact O-CG 3.39Å; K1264-Q1268 PolarHBondContact O-N 3.48Å; K1264-Q1268 PolarHBondContact O-OE1 2.88Å; Q1268-M1272 VanDerWaalsContact O-CA 3.24Å; Q1268-M1272 WeakPolarHBondContact O-CA 3.32Å; Q1268-M1272 WeakPolarHBondContact O-CB 3.43Å; Q1268-M1272 PolarHBondContact O-N 2.93Å |
| 1269 | Q | 60.9 | Low | 61.6 | Low | 120 Ų | 120 | 109.3 Ų | 109.3 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -81 | -23.4 | 172 | -73.9 | 175.9 | -32 | 0 | 0 | 113.3 | S1265 K1273 | S1265-Q1269 WeakPolarHBondContact O-CA 3.4Å; S1265-Q1269 WeakPolarHBondContact O-CB 3.39Å; S1265-Q1269 WeakPolarHBondContact O-CG 3.32Å; S1265-Q1269 PolarHBondContact O-N 2.9Å; Q1269-K1273 WeakPolarHBondContact O-CA 3.3Å; Q1269-K1273 WeakPolarHBondContact O-CB 3.39Å; Q1269-K1273 VanDerWaalsContact O-CG 3.23Å; Q1269-K1273 WeakPolarHBondContact O-CG 3.19Å; Q1269-K1273 PolarHBondContact O-N 3.2Å |
| 1270 | R | 58.5 | Low | 61.3 | Low | 184 Ų | 184 | 109.2 Ų | 109.2 | 69% | 0.694 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -88.7 | -21 | 168.3 | -63.1 | 170.2 | -177.9 | -166.9 | -1.3 | 113 | T1266 K1267 S1274 | T1266-R1270 WeakPolarHBondContact O-CA 3.38Å; T1266-R1270 WeakPolarHBondContact O-CB 3.11Å; T1266-R1270 WeakPolarHBondContact O-CD 3.38Å; T1266-R1270 WeakPolarHBondContact O-CG 3.31Å; T1266-R1270 PolarHBondContact O-N 3.47Å; K1267-R1270 CarbonylContact O-C 3.6Å; K1267-R1270 PolarHBondContact O-N 3.32Å; R1270-S1274 WeakPolarHBondContact O-CA 3.32Å; R1270-S1274 WeakPolarHBondContact O-CB 3.32Å; R1270-S1274 PolarHBondContact O-N 2.65Å |
| 1271 | Q | 57.1 | Low | 60.7 | Low | 119 Ų | 119 | 109.9 Ų | 109.9 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -85.9 | -22 | 167.4 | -68.1 | 172.2 | -57.3 | 0 | 0 | 110.1 | K1267 L1275 | K1267-Q1271 HydrophobicContact CB-CG 4.49Å; K1267-Q1271 VanDerWaalsContact O-CA 3.23Å; K1267-Q1271 WeakPolarHBondContact O-CA 3.21Å; K1267-Q1271 WeakPolarHBondContact O-CB 3.29Å; K1267-Q1271 WeakPolarHBondContact O-CG 3.2Å; K1267-Q1271 PolarHBondContact O-N 2.94Å; K1267-Q1271 PolarHBondContact O-OE1 2.75Å; Q1271-L1275 VanDerWaalsContact O-CA 3.29Å; Q1271-L1275 WeakPolarHBondContact O-CA 3.48Å; Q1271-L1275 WeakPolarHBondContact O-CB 3.4Å; Q1271-L1275 PolarHBondContact O-N 2.84Å |
| 1272 | M | 52.9 | Low | 60.1 | Low | 139 Ų | 139 | 105.8 Ų | 105.8 | 69% | 0.685 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -95.7 | -21.2 | 171.2 | -163.3 | 154.6 | 113 | 0 | 0 | 111 | Q1268 K1276 | Q1268-M1272 VanDerWaalsContact O-CA 3.24Å; Q1268-M1272 WeakPolarHBondContact O-CA 3.32Å; Q1268-M1272 WeakPolarHBondContact O-CB 3.43Å; Q1268-M1272 PolarHBondContact O-N 2.93Å; M1272-K1276 WeakPolarHBondContact O-CA 3.31Å; M1272-K1276 WeakPolarHBondContact O-CB 3.46Å; M1272-K1276 PolarHBondContact O-N 3.24Å |
| 1273 | K | 61.9 | Low | 59.4 | Low | 139 Ų | 139 | 102.1 Ų | 102.1 | 60% | 0.604 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -75.7 | -36.7 | 155.7 | -81 | -168.3 | 168 | -160.2 | 0 | 112.3 | Q1269 K1276 E1277 | Q1269-K1273 WeakPolarHBondContact O-CA 3.3Å; Q1269-K1273 WeakPolarHBondContact O-CB 3.39Å; Q1269-K1273 VanDerWaalsContact O-CG 3.23Å; Q1269-K1273 WeakPolarHBondContact O-CG 3.19Å; Q1269-K1273 PolarHBondContact O-N 3.2Å; K1273-K1276 CarbonylContact O-C 3.51Å; K1273-K1276 PolarHBondContact O-N 3.18Å; K1273-E1277 WeakPolarHBondContact O-CA 3.22Å; K1273-E1277 WeakPolarHBondContact O-CB 3.45Å; K1273-E1277 VanDerWaalsContact O-CD 3.26Å; K1273-E1277 WeakPolarHBondContact O-CG 3.48Å; K1273-E1277 PolarHBondContact O-N 3.46Å |
| 1274 | S | 63.4 | Low | 59 | Low | 46 Ų | 46 | 100.4 Ų | 100.4 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.2 | -33.9 | 174.5 | 176.8 | 0 | 0 | 0 | 0 | 111.8 | R1270 Q1278 | R1270-S1274 WeakPolarHBondContact O-CA 3.32Å; R1270-S1274 WeakPolarHBondContact O-CB 3.32Å; R1270-S1274 PolarHBondContact O-N 2.65Å; S1274-Q1278 WeakPolarHBondContact O-CA 3.3Å; S1274-Q1278 WeakPolarHBondContact O-CB 3.28Å; S1274-Q1278 WeakPolarHBondContact O-CG 3.35Å; S1274-Q1278 PolarHBondContact O-N 3.41Å |
| 1275 | L | 58.9 | Low | 58.7 | Low | 91 Ų | 91 | 100.6 Ų | 100.6 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.9 | -34.1 | 168.8 | -175.6 | 73.7 | 0 | 0 | 0 | 110 | Q1271 I1279 | Q1271-L1275 VanDerWaalsContact O-CA 3.29Å; Q1271-L1275 WeakPolarHBondContact O-CA 3.48Å; Q1271-L1275 WeakPolarHBondContact O-CB 3.4Å; Q1271-L1275 PolarHBondContact O-N 2.84Å; L1275-I1279 HydrophobicContact CD1-CD1 4.47Å; L1275-I1279 HydrophobicContact CD2-CD1 4.4Å; L1275-I1279 HydrophobicContact CG-CD1 3.85Å; L1275-I1279 HydrophobicContact CG-CG1 4.38Å; L1275-I1279 WeakPolarHBondContact O-CA 3.25Å; L1275-I1279 WeakPolarHBondContact O-CB 3.34Å; L1275-I1279 WeakPolarHBondContact O-CD1 3.49Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.38Å; L1275-I1279 PolarHBondContact O-N 3.02Å |
| 1276 | K | 62 | Low | 58.2 | Low | 123 Ų | 123 | 101.5 Ų | 101.5 | 54% | 0.535 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.3 | -44.6 | 169.8 | -177.7 | 164.9 | -179.2 | 167.1 | 0 | 111.8 | M1272 K1273 Q1278 I1279 D1280 | M1272-K1276 WeakPolarHBondContact O-CA 3.31Å; M1272-K1276 WeakPolarHBondContact O-CB 3.46Å; M1272-K1276 PolarHBondContact O-N 3.24Å; K1273-K1276 CarbonylContact O-C 3.51Å; K1273-K1276 PolarHBondContact O-N 3.18Å; K1276-Q1278 VanDerWaalsContact C-N 3.28Å; K1276-Q1278 PolarHBondContact O-N 2.96Å; K1276-I1279 CarbonylContact O-C 3.49Å; K1276-I1279 PolarHBondContact O-N 2.74Å; K1276-I1279 VanDerWaalsContact O-N 3.13Å; K1276-D1280 WeakPolarHBondContact CE-OD1 3.36Å; K1276-D1280 WeakPolarHBondContact CE-OD2 3.39Å; K1276-D1280 WeakPolarHBondContact CG-OD1 3.46Å; K1276-D1280 WeakPolarHBondContact CG-OD2 3.28Å; K1276-D1280 WeakPolarHBondContact O-CA 3.31Å; K1276-D1280 WeakPolarHBondContact O-CB 3.47Å; K1276-D1280 PolarHBondContact O-N 3.04Å |
| 1277 | E | 60 | Low | 57.6 | Low | 117 Ų | 117 | 101.6 Ų | 101.6 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -30.8 | 174.1 | -74.3 | 156.3 | -167.3 | 0 | 0 | 111.4 | K1273 A1281 | K1273-E1277 WeakPolarHBondContact O-CA 3.22Å; K1273-E1277 WeakPolarHBondContact O-CB 3.45Å; K1273-E1277 VanDerWaalsContact O-CD 3.26Å; K1273-E1277 WeakPolarHBondContact O-CG 3.48Å; K1273-E1277 PolarHBondContact O-N 3.46Å; E1277-A1281 WeakPolarHBondContact O-CA 3.46Å; E1277-A1281 WeakPolarHBondContact O-CB 3.22Å; E1277-A1281 PolarHBondContact O-N 2.92Å |
| 1278 | Q | 64.6 | Low | 57.3 | Low | 100 Ų | 100 | 99.8 Ų | 99.8 | 47% | 0.467 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.2 | -36.2 | 170.2 | -77.2 | 174.8 | 9.7 | 0 | 0 | 112 | S1274 K1276 I1282 | S1274-Q1278 WeakPolarHBondContact O-CA 3.3Å; S1274-Q1278 WeakPolarHBondContact O-CB 3.28Å; S1274-Q1278 WeakPolarHBondContact O-CG 3.35Å; S1274-Q1278 PolarHBondContact O-N 3.41Å; K1276-Q1278 VanDerWaalsContact C-N 3.28Å; K1276-Q1278 PolarHBondContact O-N 2.96Å; Q1278-I1282 WeakPolarHBondContact O-CB 3.36Å; Q1278-I1282 VanDerWaalsContact O-CD1 3.32Å; Q1278-I1282 WeakPolarHBondContact O-CD1 3.29Å; Q1278-I1282 WeakPolarHBondContact O-CG1 3.18Å; Q1278-I1282 PolarHBondContact O-N 2.85Å |
| 1279 | I | 57.6 | Low | 56.9 | Low | 86 Ų | 86 | 98.3 Ų | 98.3 | 44% | 0.441 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -53.2 | 171.9 | -76.4 | 164.2 | 0 | 0 | 0 | 108.4 | L1275 K1276 A1281 I1282 E1283 | L1275-I1279 HydrophobicContact CD1-CD1 4.47Å; L1275-I1279 HydrophobicContact CD2-CD1 4.4Å; L1275-I1279 HydrophobicContact CG-CD1 3.85Å; L1275-I1279 HydrophobicContact CG-CG1 4.38Å; L1275-I1279 WeakPolarHBondContact O-CA 3.25Å; L1275-I1279 WeakPolarHBondContact O-CB 3.34Å; L1275-I1279 WeakPolarHBondContact O-CD1 3.49Å; L1275-I1279 WeakPolarHBondContact O-CG1 3.38Å; L1275-I1279 PolarHBondContact O-N 3.02Å; K1276-I1279 CarbonylContact O-C 3.49Å; K1276-I1279 PolarHBondContact O-N 2.74Å; K1276-I1279 VanDerWaalsContact O-N 3.13Å; I1279-A1281 VanDerWaalsContact C-N 3.33Å; I1279-A1281 PolarHBondContact O-N 3.21Å; I1279-I1282 CarbonylContact O-C 3.53Å; I1279-I1282 PolarHBondContact O-N 3.02Å; I1279-E1283 WeakPolarHBondContact O-CA 3.28Å; I1279-E1283 WeakPolarHBondContact O-CB 3.48Å; I1279-E1283 PolarHBondContact O-N 3.05Å |
| 1280 | D | 58.2 | Low | 56.2 | Low | 68 Ų | 68 | 93.6 Ų | 93.6 | 36% | 0.364 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58.5 | -36.8 | 175.5 | -61.8 | -5.4 | 0 | 0 | 0 | 111.6 | K1276 L1284 | K1276-D1280 WeakPolarHBondContact CE-OD1 3.36Å; K1276-D1280 WeakPolarHBondContact CE-OD2 3.39Å; K1276-D1280 WeakPolarHBondContact CG-OD1 3.46Å; K1276-D1280 WeakPolarHBondContact CG-OD2 3.28Å; K1276-D1280 WeakPolarHBondContact O-CA 3.31Å; K1276-D1280 WeakPolarHBondContact O-CB 3.47Å; K1276-D1280 PolarHBondContact O-N 3.04Å; D1280-L1284 WeakPolarHBondContact O-CB 3.17Å; D1280-L1284 PolarHBondContact O-N 2.83Å |
| 1281 | A | 58.6 | Low | 55.6 | Low | 57 Ų | 57 | 92.1 Ų | 92.1 | 47% | 0.471 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -78 | -35.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1277 I1279 K1285 | E1277-A1281 WeakPolarHBondContact O-CA 3.46Å; E1277-A1281 WeakPolarHBondContact O-CB 3.22Å; E1277-A1281 PolarHBondContact O-N 2.92Å; I1279-A1281 VanDerWaalsContact C-N 3.33Å; I1279-A1281 PolarHBondContact O-N 3.21Å; A1281-K1285 VanDerWaalsContact O-CB 3.25Å; A1281-K1285 WeakPolarHBondContact O-CB 3.38Å; A1281-K1285 PolarHBondContact O-N 2.94Å |
| 1282 | I | 58.5 | Low | 55.5 | Low | 79 Ų | 79 | 93.3 Ų | 93.3 | 41% | 0.405 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.8 | -39.1 | 169.4 | -70.6 | 165.8 | 0 | 0 | 0 | 109.4 | Q1278 I1279 K1285 V1286 | Q1278-I1282 WeakPolarHBondContact O-CB 3.36Å; Q1278-I1282 VanDerWaalsContact O-CD1 3.32Å; Q1278-I1282 WeakPolarHBondContact O-CD1 3.29Å; Q1278-I1282 WeakPolarHBondContact O-CG1 3.18Å; Q1278-I1282 PolarHBondContact O-N 2.85Å; I1279-I1282 CarbonylContact O-C 3.53Å; I1279-I1282 PolarHBondContact O-N 3.02Å; I1282-K1285 PolarHBondContact O-N 3.35Å; I1282-V1286 HydrophobicContact CG2-CG2 4.15Å; I1282-V1286 WeakPolarHBondContact O-CA 3.19Å; I1282-V1286 WeakPolarHBondContact O-CB 3.46Å; I1282-V1286 WeakPolarHBondContact O-CG2 3.47Å; I1282-V1286 PolarHBondContact O-N 2.94Å |
| 1283 | E | 51.5 | Low | 55.1 | Low | 90 Ų | 90 | 86.8 Ų | 86.8 | 42% | 0.421 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | 178 | -174 | 178.3 | 171.2 | 0 | 0 | 110.1 | I1279 V1286 A1287 R1786 | I1279-E1283 WeakPolarHBondContact O-CA 3.28Å; I1279-E1283 WeakPolarHBondContact O-CB 3.48Å; I1279-E1283 PolarHBondContact O-N 3.05Å; E1283-V1286 CarbonylContact O-C 3.43Å; E1283-A1287 WeakPolarHBondContact O-CA 3.15Å; E1283-A1287 WeakPolarHBondContact O-CB 3.41Å; E1283-A1287 PolarHBondContact O-N 2.92Å; E1283-R1786 IonicContact OE1-NH1 2.89Å; E1283-R1786 PolarHBondContact OE1-NH1 3.25Å |
| 1284 | L | 53.7 | Low | 54.2 | Low | 113 Ų | 113 | 83.4 Ų | 83.4 | 59% | 0.592 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -71.3 | -40 | 174.1 | -166.1 | 81.3 | 0 | 0 | 0 | 111.5 | D1280 A1287 N1288 | D1280-L1284 WeakPolarHBondContact O-CB 3.17Å; D1280-L1284 PolarHBondContact O-N 2.83Å; L1284-A1287 PolarHBondContact O-N 3.14Å; L1284-N1288 WeakPolarHBondContact O-CB 3.45Å; L1284-N1288 PolarHBondContact O-N 3.23Å |
| 1285 | K | 58.8 | Low | 53.4 | Low | 132 Ų | 132 | 83.9 Ų | 83.9 | 57% | 0.574 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.5 | -49 | 173.5 | -177.4 | 176.2 | 172.4 | 179.6 | 0 | 110.7 | A1281 I1282 A1287 N1288 E1289 | A1281-K1285 VanDerWaalsContact O-CB 3.25Å; A1281-K1285 WeakPolarHBondContact O-CB 3.38Å; A1281-K1285 PolarHBondContact O-N 2.94Å; I1282-K1285 PolarHBondContact O-N 3.35Å; K1285-A1287 VanDerWaalsContact C-N 3.27Å; K1285-A1287 PolarHBondContact O-N 2.77Å; K1285-N1288 PolarHBondContact O-N 3.02Å; K1285-E1289 WeakPolarHBondContact CE-OE1 3.04Å; K1285-E1289 IonicContact NZ-OE1 3.62Å; K1285-E1289 WeakPolarHBondContact O-CB 2.81Å; K1285-E1289 WeakPolarHBondContact O-CG 3.32Å; K1285-E1289 PolarHBondContact O-N 2.99Å |
| 1286 | V | 50.7 | Low | 53.1 | Low | 52 Ų | 52 | 84.9 Ų | 84.9 | 32% | 0.315 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.5 | -29.6 | 174.8 | 169.4 | 0 | 0 | 0 | 0 | 111 | I1282 E1283 C1290 | I1282-V1286 HydrophobicContact CG2-CG2 4.15Å; I1282-V1286 WeakPolarHBondContact O-CA 3.19Å; I1282-V1286 WeakPolarHBondContact O-CB 3.46Å; I1282-V1286 WeakPolarHBondContact O-CG2 3.47Å; I1282-V1286 PolarHBondContact O-N 2.94Å; E1283-V1286 CarbonylContact O-C 3.43Å; V1286-C1290 WeakPolarHBondContact O-CA 3.43Å; V1286-C1290 WeakPolarHBondContact O-CB 3.2Å; V1286-C1290 PolarHBondContact O-N 3.48Å; V1286-C1290 PolarHBondContact O-SG 3.16Å |
| 1287 | A | 46.7 | Very low | 52.4 | Low | 40 Ų | 40 | 79.6 Ų | 79.6 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -78.6 | -31.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1283 L1284 K1285 K1291 | E1283-A1287 WeakPolarHBondContact O-CA 3.15Å; E1283-A1287 WeakPolarHBondContact O-CB 3.41Å; E1283-A1287 PolarHBondContact O-N 2.92Å; L1284-A1287 PolarHBondContact O-N 3.14Å; K1285-A1287 VanDerWaalsContact C-N 3.27Å; K1285-A1287 PolarHBondContact O-N 2.77Å; A1287-K1291 WeakPolarHBondContact O-CB 3.43Å; A1287-K1291 VanDerWaalsContact O-CG 3.23Å; A1287-K1291 WeakPolarHBondContact O-CG 3.1Å; A1287-K1291 PolarHBondContact O-N 2.61Å |
| 1288 | N | 52 | Low | 52 | Low | 90 Ų | 90 | 78.7 Ų | 78.7 | 48% | 0.481 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -73.5 | -47.3 | 171.3 | -77.3 | -9.4 | 0 | 0 | 0 | 111 | L1284 K1285 C1290 K1291 E1292 | L1284-N1288 WeakPolarHBondContact O-CB 3.45Å; L1284-N1288 PolarHBondContact O-N 3.23Å; K1285-N1288 PolarHBondContact O-N 3.02Å; N1288-C1290 VanDerWaalsContact C-N 3.31Å; N1288-C1290 PolarHBondContact O-N 2.87Å; N1288-K1291 WeakPolarHBondContact O-CB 3.45Å; N1288-K1291 PolarHBondContact O-N 3.18Å; N1288-E1292 PolarHBondContact O-N 2.76Å |
| 1289 | E | 49 | Very low | 51.4 | Low | 80 Ų | 80 | 78 Ų | 78 | 37% | 0.374 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -64.7 | -34.9 | 173.2 | -70.7 | 179.9 | -168.3 | 0 | 0 | 111.8 | K1285 A1293 | K1285-E1289 WeakPolarHBondContact CE-OE1 3.04Å; K1285-E1289 IonicContact NZ-OE1 3.62Å; K1285-E1289 WeakPolarHBondContact O-CB 2.81Å; K1285-E1289 WeakPolarHBondContact O-CG 3.32Å; K1285-E1289 PolarHBondContact O-N 2.99Å; E1289-A1293 VanDerWaalsContact O-CB 3.23Å; E1289-A1293 WeakPolarHBondContact O-CB 3.3Å; E1289-A1293 PolarHBondContact O-N 3.43Å |
| 1290 | C | 44.9 | Very low | 51.3 | Low | 20 Ų | 20 | 76.2 Ų | 76.2 | 14% | 0.135 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -69.1 | -36.8 | 168.6 | -77.4 | 0 | 0 | 0 | 0 | 111.2 | V1286 N1288 A1293 F1294 | V1286-C1290 WeakPolarHBondContact O-CA 3.43Å; V1286-C1290 WeakPolarHBondContact O-CB 3.2Å; V1286-C1290 PolarHBondContact O-N 3.48Å; V1286-C1290 PolarHBondContact O-SG 3.16Å; N1288-C1290 VanDerWaalsContact C-N 3.31Å; N1288-C1290 PolarHBondContact O-N 2.87Å; C1290-A1293 CarbonylContact O-C 3.12Å; C1290-A1293 PolarHBondContact O-N 3.4Å; C1290-F1294 WeakPolarHBondContact O-CA 3.35Å; C1290-F1294 WeakPolarHBondContact O-CB 3.45Å; C1290-F1294 PolarHBondContact O-N 3.2Å |
| 1291 | K | 47.2 | Very low | 51.2 | Low | 154 Ų | 154 | 74 Ų | 74 | 67% | 0.67 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -64.4 | -42.7 | 177 | -90.4 | 179.2 | 176.3 | -174.4 | 0 | 111.6 | A1287 N1288 F1294 A1295 | A1287-K1291 WeakPolarHBondContact O-CB 3.43Å; A1287-K1291 VanDerWaalsContact O-CG 3.23Å; A1287-K1291 WeakPolarHBondContact O-CG 3.1Å; A1287-K1291 PolarHBondContact O-N 2.61Å; N1288-K1291 WeakPolarHBondContact O-CB 3.45Å; N1288-K1291 PolarHBondContact O-N 3.18Å; K1291-F1294 PolarHBondContact O-N 2.91Å; K1291-A1295 WeakPolarHBondContact O-CB 3.44Å; K1291-A1295 PolarHBondContact O-N 3.27Å |
| 1292 | E | 53.5 | Low | 51 | Low | 143 Ų | 143 | 74.8 Ų | 74.8 | 67% | 0.668 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.2 | -48 | 172.5 | -70.8 | -177.4 | 154.5 | 0 | 0 | 111 | N1288 F1294 A1295 E1296 | N1288-E1292 PolarHBondContact O-N 2.76Å; E1292-F1294 VanDerWaalsContact C-N 3.28Å; E1292-F1294 PolarHBondContact O-N 2.92Å; E1292-A1295 WeakPolarHBondContact O-CB 3.5Å; E1292-A1295 PolarHBondContact O-N 2.69Å; E1292-E1296 PolarHBondContact O-N 3.06Å |
| 1293 | A | 44.9 | Very low | 51 | Low | 3 Ų | 3 | 76.8 Ų | 76.8 | 3% | 0.025 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.7 | -29.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1289 C1290 L1297 K1668 | E1289-A1293 VanDerWaalsContact O-CB 3.23Å; E1289-A1293 WeakPolarHBondContact O-CB 3.3Å; E1289-A1293 PolarHBondContact O-N 3.43Å; C1290-A1293 CarbonylContact O-C 3.12Å; C1290-A1293 PolarHBondContact O-N 3.4Å; A1293-L1297 WeakPolarHBondContact O-CB 3.5Å; A1293-L1297 WeakPolarHBondContact O-CD1 3.39Å; A1293-L1297 PolarHBondContact O-N 2.85Å; A1293-K1668 HydrophobicContact CB-CB 4.43Å; A1293-K1668 HydrophobicContact CB-CD 3.83Å; A1293-K1668 HydrophobicContact CB-CG 4.05Å |
| 1294 | F | 42.8 | Very low | 51.2 | Low | 68 Ų | 68 | 74.6 Ų | 74.6 | 30% | 0.298 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -80.6 | -27.7 | 178.9 | -165.6 | -80.1 | 0 | 0 | 0 | 110.8 | C1290 K1291 E1292 Q1298 G1670 T1671 | C1290-F1294 WeakPolarHBondContact O-CA 3.35Å; C1290-F1294 WeakPolarHBondContact O-CB 3.45Å; C1290-F1294 PolarHBondContact O-N 3.2Å; K1291-F1294 PolarHBondContact O-N 2.91Å; E1292-F1294 VanDerWaalsContact C-N 3.28Å; E1292-F1294 PolarHBondContact O-N 2.92Å; F1294-Q1298 HydrophobicContact CD1-CG 3.71Å; F1294-Q1298 HydrophobicContact CE1-CG 3.6Å; F1294-Q1298 HydrophobicContact CZ-CG 4.4Å; F1294-Q1298 WeakPolarHBondContact O-CB 3.39Å; F1294-Q1298 WeakPolarHBondContact O-CG 3.48Å; F1294-Q1298 PolarHBondContact O-N 2.75Å; F1294-G1670 WeakPolarHBondContact CE2-O 3.16Å; F1294-T1671 HydrophobicContact CB-CG2 3.84Å; F1294-T1671 HydrophobicContact CD2-CG2 3.48Å; F1294-T1671 VanDerWaalsContact CD2-CG2 3.48Å; F1294-T1671 HydrophobicContact CE2-CG2 4.36Å; F1294-T1671 HydrophobicContact CG-CG2 3.92Å |
| 1295 | A | 47.5 | Very low | 51.4 | Low | 56 Ų | 56 | 71.5 Ų | 71.5 | 46% | 0.463 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -52.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | K1291 E1292 L1297 Q1298 T1299 | K1291-A1295 WeakPolarHBondContact O-CB 3.44Å; K1291-A1295 PolarHBondContact O-N 3.27Å; E1292-A1295 WeakPolarHBondContact O-CB 3.5Å; E1292-A1295 PolarHBondContact O-N 2.69Å; A1295-L1297 VanDerWaalsContact C-N 3.26Å; A1295-L1297 PolarHBondContact O-N 2.94Å; A1295-Q1298 PolarHBondContact O-N 3.13Å; A1295-T1299 PolarHBondContact O-N 3.48Å; A1295-T1299 PolarHBondContact O-OG1 3.01Å |
| 1296 | E | 51.6 | Low | 51.1 | Low | 112 Ų | 112 | 69.7 Ų | 69.7 | 52% | 0.523 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -57.1 | -36.6 | 175.2 | -69.8 | -172.7 | 131.9 | 0 | 0 | 113 | E1292 T1299 D1300 K1668 | E1292-E1296 PolarHBondContact O-N 3.06Å; E1296-T1299 PolarHBondContact O-OG1 3.29Å; E1296-D1300 PolarHBondContact O-N 2.93Å; E1296-K1668 IonicContact OE2-NZ 3Å |
| 1297 | L | 47.5 | Very low | 51.2 | Low | 11 Ų | 11 | 71.6 Ų | 71.6 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -84.5 | -32.1 | -179.8 | -90.8 | 142.1 | 0 | 0 | 0 | 113.6 | A1293 A1295 I1301 K1471 T1671 | A1293-L1297 WeakPolarHBondContact O-CB 3.5Å; A1293-L1297 WeakPolarHBondContact O-CD1 3.39Å; A1293-L1297 PolarHBondContact O-N 2.85Å; A1295-L1297 VanDerWaalsContact C-N 3.26Å; A1295-L1297 PolarHBondContact O-N 2.94Å; L1297-I1301 HydrophobicContact CB-CD1 4.45Å; L1297-I1301 HydrophobicContact CD2-CD1 3.63Å; L1297-I1301 HydrophobicContact CD2-CG1 4.16Å; L1297-I1301 WeakPolarHBondContact O-CB 3.35Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.44Å; L1297-I1301 PolarHBondContact O-N 3.31Å; L1297-K1471 HydrophobicContact CD2-CD 4.06Å; L1297-K1471 HydrophobicContact CG-CD 4.44Å; L1297-T1671 HydrophobicContact CB-CG2 3.56Å; L1297-T1671 HydrophobicContact CD1-CG2 3.68Å; L1297-T1671 HydrophobicContact CG-CG2 4.13Å |
| 1298 | Q | 51.9 | Low | 51.6 | Low | 98 Ų | 98 | 70.8 Ų | 70.8 | 46% | 0.458 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 171.1 | -82.8 | -163.8 | -48 | 0 | 0 | 111.2 | F1294 A1295 T1302 | F1294-Q1298 HydrophobicContact CD1-CG 3.71Å; F1294-Q1298 HydrophobicContact CE1-CG 3.6Å; F1294-Q1298 HydrophobicContact CZ-CG 4.4Å; F1294-Q1298 WeakPolarHBondContact O-CB 3.39Å; F1294-Q1298 WeakPolarHBondContact O-CG 3.48Å; F1294-Q1298 PolarHBondContact O-N 2.75Å; A1295-Q1298 PolarHBondContact O-N 3.13Å; Q1298-T1302 WeakPolarHBondContact O-CB 3.4Å; Q1298-T1302 WeakPolarHBondContact O-CG2 3.4Å; Q1298-T1302 PolarHBondContact O-N 3.14Å; Q1298-T1302 PolarHBondContact O-OG1 2.98Å |
| 1299 | T | 52.2 | Low | 51.7 | Low | 87 Ų | 87 | 71.1 Ų | 71.1 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.4 | -52.7 | 174.5 | 51.3 | 0 | 0 | 0 | 0 | 111.1 | A1295 E1296 I1301 T1302 E1303 | A1295-T1299 PolarHBondContact O-N 3.48Å; A1295-T1299 PolarHBondContact O-OG1 3.01Å; E1296-T1299 PolarHBondContact O-OG1 3.29Å; T1299-I1301 PolarHBondContact O-N 3.02Å; T1299-T1302 PolarHBondContact O-OG1 3.32Å; T1299-E1303 PolarHBondContact O-N 3.3Å |
| 1300 | D | 56.1 | Low | 51.8 | Low | 47 Ų | 47 | 71.2 Ų | 71.2 | 25% | 0.251 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 179.8 | -74.1 | 4.8 | 0 | 0 | 0 | 112 | E1296 W1304 K1471 R1517 | E1296-D1300 PolarHBondContact O-N 2.93Å; D1300-W1304 VanDerWaalsContact O-CD1 3.31Å; D1300-W1304 PolarHBondContact O-N 2.65Å; D1300-K1471 WeakPolarHBondContact OD2-CE 3.5Å; D1300-K1471 IonicContact OD2-NZ 2.64Å; D1300-K1471 PolarHBondContact OD2-NZ 3.11Å; D1300-R1517 IonicContact OD2-NH1 3.62Å; D1300-R1517 PolarHBondContact OD2-NH1 2.87Å |
| 1301 | I | 56.1 | Low | 52.2 | Low | 22 Ų | 22 | 73.2 Ų | 73.2 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -77.3 | -31.9 | -175.2 | -68.8 | 175.6 | 0 | 0 | 0 | 112.1 | L1297 T1299 W1304 T1305 F1675 | L1297-I1301 HydrophobicContact CB-CD1 4.45Å; L1297-I1301 HydrophobicContact CD2-CD1 3.63Å; L1297-I1301 HydrophobicContact CD2-CG1 4.16Å; L1297-I1301 WeakPolarHBondContact O-CB 3.35Å; L1297-I1301 WeakPolarHBondContact O-CG1 3.44Å; L1297-I1301 PolarHBondContact O-N 3.31Å; T1299-I1301 PolarHBondContact O-N 3.02Å; I1301-W1304 PolarHBondContact O-N 3.13Å; I1301-T1305 PolarHBondContact O-N 2.89Å; I1301-T1305 PolarHBondContact O-OG1 3.23Å; I1301-F1675 HydrophobicContact CD1-CE2 4.23Å; I1301-F1675 HydrophobicContact CG2-CE2 3.78Å; I1301-F1675 HydrophobicContact CG2-CZ 3.39Å |
| 1302 | T | 54.7 | Low | 53.1 | Low | 74 Ų | 74 | 68.6 Ų | 68.6 | 45% | 0.454 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 177.8 | 50.7 | 0 | 0 | 0 | 0 | 111.6 | Q1298 T1299 W1304 T1305 T1306 | Q1298-T1302 WeakPolarHBondContact O-CB 3.4Å; Q1298-T1302 WeakPolarHBondContact O-CG2 3.4Å; Q1298-T1302 PolarHBondContact O-N 3.14Å; Q1298-T1302 PolarHBondContact O-OG1 2.98Å; T1299-T1302 PolarHBondContact O-OG1 3.32Å; T1302-W1304 VanDerWaalsContact C-N 3.29Å; T1302-W1304 PolarHBondContact O-N 3.34Å; T1302-T1305 VanDerWaalsContact CA-OG1 3.29Å; T1302-T1305 WeakPolarHBondContact CA-OG1 3.42Å; T1302-T1305 PolarHBondContact O-N 2.98Å; T1302-T1305 PolarHBondContact O-OG1 3.28Å; T1302-T1306 PolarHBondContact O-N 3.22Å; T1302-T1306 PolarHBondContact O-OG1 3.37Å; T1302-T1306 VanDerWaalsContact O-OG1 3.06Å |
| 1303 | E | 57.1 | Low | 54.4 | Low | 121 Ų | 121 | 63.5 Ų | 63.5 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -53.5 | -46.6 | 173.7 | -166.7 | 171.9 | -135.4 | 0 | 0 | 111.1 | T1299 T1306 E1307 | T1299-E1303 PolarHBondContact O-N 3.3Å; E1303-T1306 WeakPolarHBondContact CA-OG1 3.27Å; E1303-T1306 PolarHBondContact O-N 2.96Å; E1303-T1306 PolarHBondContact O-OG1 2.76Å; E1303-E1307 PolarHBondContact O-N 2.96Å; E1303-E1307 VanDerWaalsContact O-N 3.09Å |
| 1304 | W | 56.1 | Low | 56.3 | Low | 44 Ų | 44 | 64.4 Ų | 64.4 | 17% | 0.167 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 173.4 | -85.1 | 87.2 | 0 | 0 | 0 | 114.3 | D1300 I1301 T1302 T1306 E1307 T1308 W1463 R1537 | D1300-W1304 VanDerWaalsContact O-CD1 3.31Å; D1300-W1304 PolarHBondContact O-N 2.65Å; I1301-W1304 PolarHBondContact O-N 3.13Å; T1302-W1304 VanDerWaalsContact C-N 3.29Å; T1302-W1304 PolarHBondContact O-N 3.34Å; W1304-T1306 VanDerWaalsContact C-N 3.27Å; W1304-T1306 PolarHBondContact O-N 3.12Å; W1304-E1307 PolarHBondContact O-N 2.73Å; W1304-T1308 VanDerWaalsContact O-CB 3.27Å; W1304-T1308 WeakPolarHBondContact O-CB 3.41Å; W1304-T1308 PolarHBondContact O-N 2.9Å; W1304-T1308 PolarHBondContact O-OG1 3.1Å; W1304-W1463 AromaticContact CD2-NE1 3.88Å; W1304-W1463 HydrophobicContact CE3-CZ2 4.49Å; W1304-W1463 AromaticContact CE3-NE1 3.4Å; W1304-W1463 AromaticContact CH2-CZ2 3.74Å; W1304-W1463 HydrophobicContact CH2-CZ2 3.74Å; W1304-W1463 AromaticContact CZ3-CE2 3.84Å; W1304-W1463 AromaticContact CZ3-CZ2 3.69Å; W1304-W1463 HydrophobicContact CZ3-CZ2 3.69Å; W1304-W1463 AromaticContact CZ3-NE1 3.49Å; W1304-R1537 HydrophobicContact CH2-CB 4.4Å; W1304-R1537 VanDerWaalsContact CH2-CD 3.43Å; W1304-R1537 HydrophobicContact CH2-CG 3.71Å; W1304-R1537 HydrophobicContact CZ3-CB 4.4Å; W1304-R1537 HydrophobicContact CZ3-CG 4.17Å |
| 1305 | T | 57.6 | Low | 58.5 | Low | 47 Ų | 47 | 63.7 Ų | 63.7 | 29% | 0.288 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -61.9 | -37.7 | 175.8 | 46.4 | 0 | 0 | 0 | 0 | 111.7 | I1301 T1302 T1309 M1460 | I1301-T1305 PolarHBondContact O-N 2.89Å; I1301-T1305 PolarHBondContact O-OG1 3.23Å; T1302-T1305 VanDerWaalsContact CA-OG1 3.29Å; T1302-T1305 WeakPolarHBondContact CA-OG1 3.42Å; T1302-T1305 PolarHBondContact O-N 2.98Å; T1302-T1305 PolarHBondContact O-OG1 3.28Å; T1305-T1309 PolarHBondContact O-N 2.83Å; T1305-T1309 PolarHBondContact O-OG1 2.98Å; T1305-M1460 HydrophobicContact CG2-CE 3.56Å |
| 1306 | T | 52.7 | Low | 60.3 | Low | 94 Ų | 94 | 61.7 Ų | 61.7 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.9 | -43.5 | 176.6 | 38.8 | 0 | 0 | 0 | 0 | 112.8 | T1302 E1303 W1304 T1309 | T1302-T1306 PolarHBondContact O-N 3.22Å; T1302-T1306 PolarHBondContact O-OG1 3.37Å; T1302-T1306 VanDerWaalsContact O-OG1 3.06Å; E1303-T1306 WeakPolarHBondContact CA-OG1 3.27Å; E1303-T1306 PolarHBondContact O-N 2.96Å; E1303-T1306 PolarHBondContact O-OG1 2.76Å; W1304-T1306 VanDerWaalsContact C-N 3.27Å; W1304-T1306 PolarHBondContact O-N 3.12Å; T1306-T1309 PolarHBondContact O-OG1 2.74Å; T1306-T1309 VanDerWaalsContact O-OG1 3.05Å |
| 1307 | E | 52.8 | Low | 61.9 | Low | 93 Ų | 93 | 59.9 Ų | 59.9 | 44% | 0.435 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.4 | -41.3 | 175.8 | -69.9 | -167 | 156.3 | 0 | 0 | 112.6 | E1303 W1304 T1309 A1310 T1311 R1537 | E1303-E1307 PolarHBondContact O-N 2.96Å; E1303-E1307 VanDerWaalsContact O-N 3.09Å; W1304-E1307 PolarHBondContact O-N 2.73Å; E1307-T1309 PolarHBondContact O-N 2.89Å; E1307-A1310 WeakPolarHBondContact O-CB 3.24Å; E1307-A1310 PolarHBondContact O-N 2.75Å; E1307-A1310 VanDerWaalsContact O-N 3.1Å; E1307-T1311 PolarHBondContact O-N 3.01Å; E1307-T1311 PolarHBondContact O-OG1 2.98Å; E1307-R1537 IonicContact OE2-NH1 2.96Å; E1307-R1537 PolarHBondContact OE2-NH1 2.8Å; E1307-R1537 VanDerWaalsContact OE2-NH1 3.15Å |
| 1308 | T | 54.6 | Low | 63.8 | Low | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.7 | -34.4 | -174.5 | -49.3 | 0 | 0 | 0 | 0 | 111.8 | W1304 A1310 T1311 F1459 M1460 | W1304-T1308 VanDerWaalsContact O-CB 3.27Å; W1304-T1308 WeakPolarHBondContact O-CB 3.41Å; W1304-T1308 PolarHBondContact O-N 2.9Å; W1304-T1308 PolarHBondContact O-OG1 3.1Å; T1308-A1310 PolarHBondContact O-N 2.94Å; T1308-T1311 PolarHBondContact O-N 3.47Å; T1308-T1311 VanDerWaalsContact O-N 3.08Å; T1308-F1459 HydrophobicContact CG2-CE1 4.34Å; T1308-M1460 HydrophobicContact CG2-SD 4.43Å |
| 1309 | T | 54.9 | Low | 65.4 | Low | 98 Ų | 98 | 58.8 Ų | 58.8 | 60% | 0.601 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.5 | -20 | 172.5 | 38.9 | 0 | 0 | 0 | 0 | 114.2 | T1305 T1306 E1307 | T1305-T1309 PolarHBondContact O-N 2.83Å; T1305-T1309 PolarHBondContact O-OG1 2.98Å; T1306-T1309 PolarHBondContact O-OG1 2.74Å; T1306-T1309 VanDerWaalsContact O-OG1 3.05Å; E1307-T1309 PolarHBondContact O-N 2.89Å |
| 1310 | A | 50.6 | Low | 66.9 | Low | 82 Ų | 82 | 57.6 Ų | 57.6 | 68% | 0.678 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -10 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1307 T1308 | E1307-A1310 WeakPolarHBondContact O-CB 3.24Å; E1307-A1310 PolarHBondContact O-N 2.75Å; E1307-A1310 VanDerWaalsContact O-N 3.1Å; T1308-A1310 PolarHBondContact O-N 2.94Å |
| 1311 | T | 54.7 | Low | 68.4 | Low | 62 Ų | 62 | 55.3 Ų | 55.3 | 38% | 0.38 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -140.6 | 39.1 | -160.7 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | E1307 T1308 T1538 | E1307-T1311 PolarHBondContact O-N 3.01Å; E1307-T1311 PolarHBondContact O-OG1 2.98Å; T1308-T1311 PolarHBondContact O-N 3.47Å; T1308-T1311 VanDerWaalsContact O-N 3.08Å; T1311-T1538 VanDerWaalsContact CB-CG2 3.44Å; T1311-T1538 HydrophobicContact CG2-CG2 3.94Å |
| 1312 | G | 66.3 | Low | 69.9 | Low | 56 Ų | 56 | 54.3 Ų | 54.3 | 58% | 0.577 | 32% | 0.318 | S | S | * | . | trans | 62 | 111.6 | 153.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1313 | I | 79.1 | Confident | 71.1 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | trans | -70.8 | 130.3 | 174.3 | -63.1 | 168.9 | 0 | 0 | 0 | 110.5 | F1315 Q1456 F1459 F1743 | I1313-F1315 VanDerWaalsContact C-N 3.29Å; I1313-F1315 HydrophobicContact CB-CD2 3.98Å; I1313-F1315 HydrophobicContact CB-CE2 3.79Å; I1313-F1315 HydrophobicContact CD1-CE2 4.38Å; I1313-F1315 HydrophobicContact CG2-CD2 3.78Å; I1313-F1315 HydrophobicContact CG2-CE2 3.68Å; I1313-F1315 HydrophobicContact CG2-CG 4.32Å; I1313-F1315 HydrophobicContact CG2-CZ 4.15Å; I1313-F1315 PolarHBondContact O-N 3.42Å; I1313-Q1456 HydrophobicContact CD1-CB 3.66Å; I1313-Q1456 HydrophobicContact CD1-CG 3.77Å; I1313-F1459 HydrophobicContact CD1-CB 4.36Å; I1313-F1459 HydrophobicContact CD1-CD1 4.32Å; I1313-F1459 HydrophobicContact CG1-CD1 3.92Å; I1313-F1459 HydrophobicContact CG1-CE1 4.33Å; I1313-F1459 HydrophobicContact CG1-CG 4.32Å; I1313-F1459 HydrophobicContact CG2-CB 4.08Å; I1313-F1459 HydrophobicContact CG2-CD1 4.13Å; I1313-F1459 HydrophobicContact CG2-CD2 3.85Å; I1313-F1459 HydrophobicContact CG2-CE2 4.31Å; I1313-F1459 HydrophobicContact CG2-CG 3.75Å; I1313-F1743 HydrophobicContact CG2-CD1 3.68Å; I1313-F1743 HydrophobicContact CG2-CE1 3.82Å | ||
| 1314 | P | 85.9 | Confident | 72.3 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 14% | 0.143 | 28% | 0.283 | C | S | . | . | trans | -80.4 | 70.5 | -178.5 | 34.3 | -37 | 0 | 0 | 0 | 111.6 | F1459 P1540 F1743 D1744 | P1314-F1459 HydrophobicContact CG-CE2 4.03Å; P1314-F1459 HydrophobicContact CG-CZ 4.28Å; P1314-P1540 HydrophobicContact CB-CB 4.01Å; P1314-P1540 HydrophobicContact CB-CG 4.01Å; P1314-F1743 CarbonylContact O-C 3.58Å; P1314-F1743 VanDerWaalsContact O-CA 3.24Å; P1314-F1743 WeakPolarHBondContact O-CA 3.49Å; P1314-F1743 WeakPolarHBondContact O-CB 3.42Å; P1314-D1744 PolarHBondContact O-N 2.73Å | ||
| 1315 | F | 87.8 | Confident | 73.6 | Confident | 52 Ų | 52 | 46 Ų | 46 | 23% | 0.228 | 28% | 0.276 | C | S | . | . | B | Isolated β-bridge | trans | -62.5 | 143.6 | 171.7 | -73.4 | -83.6 | 0 | 0 | 0 | 111.7 | I1313 L1450 L1451 V1742 F1743 | I1313-F1315 VanDerWaalsContact C-N 3.29Å; I1313-F1315 HydrophobicContact CB-CD2 3.98Å; I1313-F1315 HydrophobicContact CB-CE2 3.79Å; I1313-F1315 HydrophobicContact CD1-CE2 4.38Å; I1313-F1315 HydrophobicContact CG2-CD2 3.78Å; I1313-F1315 HydrophobicContact CG2-CE2 3.68Å; I1313-F1315 HydrophobicContact CG2-CG 4.32Å; I1313-F1315 HydrophobicContact CG2-CZ 4.15Å; I1313-F1315 PolarHBondContact O-N 3.42Å; F1315-L1450 WeakPolarHBondContact CE1-O 3.26Å; F1315-L1451 HydrophobicContact CB-CD2 3.78Å; F1315-L1451 HydrophobicContact CD1-CD2 3.6Å; F1315-L1451 HydrophobicContact CD2-CD2 3.97Å; F1315-L1451 HydrophobicContact CE1-CD2 4.04Å; F1315-L1451 HydrophobicContact CE2-CD2 4.39Å; F1315-L1451 HydrophobicContact CG-CD2 3.53Å; F1315-L1451 HydrophobicContact CZ-CD2 4.42Å; F1315-V1742 HydrophobicContact CD1-CG1 3.92Å; F1315-V1742 HydrophobicContact CE1-CG1 4.07Å; F1315-F1743 AromaticContact CD1-CD1 3.87Å; F1315-F1743 HydrophobicContact CD1-CD1 3.87Å; F1315-F1743 AromaticContact CD1-CE1 3.72Å; F1315-F1743 HydrophobicContact CD1-CE1 3.72Å; F1315-F1743 HydrophobicContact CE1-CD1 4.13Å; F1315-F1743 AromaticContact CE1-CE1 3.5Å; F1315-F1743 HydrophobicContact CE1-CE1 3.5Å; F1315-F1743 HydrophobicContact CE1-CZ 4.48Å; F1315-F1743 HydrophobicContact CG-CD1 4.34Å; F1315-F1743 HydrophobicContact CG-CE1 4.49Å; F1315-F1743 HydrophobicContact CZ-CE1 4.1Å |
| 1316 | L | 86.7 | Confident | 74.8 | Confident | 15 Ų | 15 | 44 Ų | 44 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 142.8 | 168.9 | -72.6 | 165.8 | 0 | 0 | 0 | 110.5 | D1320 Y1447 H1740 V1742 D1744 | L1316-D1320 HydrophobicContact CB-CB 4.27Å; L1316-D1320 HydrophobicContact CD2-CB 4.27Å; L1316-Y1447 PolarHBondContact O-OH 2.91Å; L1316-H1740 VanDerWaalsContact CD1-O 3.26Å; L1316-H1740 WeakPolarHBondContact CD1-O 3.29Å; L1316-V1742 PolarHBondContact N-O 3.09Å; L1316-D1744 HydrophobicContact CD2-CB 4.01Å |
| 1317 | P | 85 | Confident | 76.2 | Confident | 73 Ų | 73 | 40.4 Ų | 40.4 | 47% | 0.474 | 24% | 0.24 | S | C | . | . | P | Polyproline II helix | trans | -54.4 | 153.6 | 169 | -24.4 | 34.3 | 0 | 0 | 0 | 112.4 | K1319 D1320 Y1321 | P1317-K1319 VanDerWaalsContact C-N 3.34Å; P1317-K1319 PolarHBondContact O-N 2.77Å; P1317-D1320 PolarHBondContact O-N 3.37Å; P1317-Y1321 PolarHBondContact O-N 3.02Å |
| 1318 | Y | 88 | Confident | 77 | Confident | 14 Ų | 14 | 38.4 Ų | 38.4 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -49.8 | -53.1 | -176.7 | 173.2 | -98.2 | 0 | 0 | 0 | 112 | D1320 Y1321 V1322 F1444 Y1447 H1824 E1827 | Y1318-D1320 VanDerWaalsContact C-N 3.32Å; Y1318-D1320 PolarHBondContact O-N 2.87Å; Y1318-Y1321 PolarHBondContact O-N 2.83Å; Y1318-V1322 HydrophobicContact CD1-CG2 4.06Å; Y1318-V1322 HydrophobicContact CD2-CG2 3.98Å; Y1318-V1322 HydrophobicContact CE1-CG2 3.8Å; Y1318-V1322 HydrophobicContact CE2-CG2 3.72Å; Y1318-V1322 HydrophobicContact CG-CG2 4.18Å; Y1318-V1322 VanDerWaalsContact O-CB 3.25Å; Y1318-V1322 WeakPolarHBondContact O-CB 3.35Å; Y1318-V1322 VanDerWaalsContact O-CG2 3.28Å; Y1318-V1322 WeakPolarHBondContact O-CG2 3.41Å; Y1318-V1322 PolarHBondContact O-N 2.95Å; Y1318-F1444 AromaticContact CZ-CD1 3.95Å; Y1318-F1444 WeakPolarHBondContact OH-CD1 3.5Å; Y1318-Y1447 AromaticContact CD2-CD1 3.53Å; Y1318-Y1447 HydrophobicContact CD2-CD1 3.53Å; Y1318-Y1447 HydrophobicContact CD2-CD2 4.35Å; Y1318-Y1447 HydrophobicContact CD2-CE1 4.02Å; Y1318-Y1447 AromaticContact CD2-CG 3.7Å; Y1318-Y1447 HydrophobicContact CD2-CG 3.7Å; Y1318-Y1447 HydrophobicContact CE2-CD1 4.43Å; Y1318-Y1447 HydrophobicContact CE2-CG 4.42Å; Y1318-Y1447 HydrophobicContact CG-CD1 4.33Å; Y1318-Y1447 HydrophobicContact CG-CE1 4.38Å; Y1318-Y1447 PolarHBondContact N-OH 2.83Å; Y1318-H1824 HydrophobicContact CD1-CB 4Å; Y1318-H1824 AromaticContact CD1-CE1 3.89Å; Y1318-H1824 AromaticContact CD1-CG 3.61Å; Y1318-H1824 AromaticContact CD1-ND1 3.34Å; Y1318-H1824 VanDerWaalsContact CD1-ND1 3.34Å; Y1318-H1824 WeakPolarHBondContact CD1-ND1 3.45Å; Y1318-H1824 AromaticContact CD2-CD2 3.97Å; Y1318-H1824 AromaticContact CD2-CE1 3.5Å; Y1318-H1824 VanDerWaalsContact CD2-CE1 3.5Å; Y1318-H1824 WeakPolarHBondContact CD2-CE1 3.47Å; Y1318-H1824 AromaticContact CD2-ND1 3.8Å; Y1318-H1824 AromaticContact CD2-NE2 3.59Å; Y1318-H1824 HydrophobicContact CE1-CB 3.46Å; Y1318-H1824 VanDerWaalsContact CE1-CB 3.46Å; Y1318-H1824 AromaticContact CE1-CD2 3.94Å; Y1318-H1824 AromaticContact CE1-CG 3.37Å; Y1318-H1824 AromaticContact CE1-ND1 3.65Å; Y1318-H1824 AromaticContact CE2-CD2 3.57Å; Y1318-H1824 AromaticContact CE2-CE1 3.92Å; Y1318-H1824 AromaticContact CE2-CG 3.86Å; Y1318-H1824 AromaticContact CE2-NE2 3.61Å; Y1318-H1824 AromaticContact CG-CE1 3.44Å; Y1318-H1824 VanDerWaalsContact CG-CE1 3.44Å; Y1318-H1824 AromaticContact CG-CG 3.94Å; Y1318-H1824 AromaticContact CG-ND1 3.39Å; Y1318-H1824 AromaticContact CG-NE2 4Å; Y1318-H1824 AromaticContact CZ-CD2 3.52Å; Y1318-H1824 AromaticContact CZ-CG 3.47Å; Y1318-H1824 VanDerWaalsContact CZ-CG 3.47Å; Y1318-H1824 AromaticContact CZ-ND1 3.97Å; Y1318-E1827 HydrophobicContact CD1-CB 4.49Å; Y1318-E1827 WeakPolarHBondContact CD1-OE2 3.4Å |
| 1319 | K | 84.7 | Confident | 77.4 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 32% | 0.317 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -45.9 | -49.7 | 172.7 | -177.9 | 173.8 | -171.6 | 154.4 | 0 | 114.1 | P1317 L1323 E1827 L1828 | P1317-K1319 VanDerWaalsContact C-N 3.34Å; P1317-K1319 PolarHBondContact O-N 2.77Å; K1319-L1323 HydrophobicContact CG-CD1 3.73Å; K1319-L1323 WeakPolarHBondContact O-CB 3.33Å; K1319-L1323 WeakPolarHBondContact O-CD1 3.13Å; K1319-L1323 WeakPolarHBondContact O-CG 3.49Å; K1319-L1323 PolarHBondContact O-N 2.94Å; K1319-E1827 VanDerWaalsContact CD-O 3.29Å; K1319-E1827 WeakPolarHBondContact CD-O 3.38Å; K1319-E1827 VanDerWaalsContact CE-O 3.26Å; K1319-E1827 WeakPolarHBondContact CE-O 3.48Å; K1319-E1827 PolarHBondContact N-OE2 3.33Å; K1319-E1827 PolarHBondContact NZ-O 3.15Å; K1319-E1827 VanDerWaalsContact NZ-O 3.09Å; K1319-L1828 HydrophobicContact CG-CD2 4.3Å |
| 1320 | D | 83.5 | Confident | 77.6 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 33% | 0.326 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.6 | -42.2 | -175.1 | -66.1 | -41.3 | 0 | 0 | 0 | 111.7 | L1316 P1317 Y1318 L1323 Q1324 | L1316-D1320 HydrophobicContact CB-CB 4.27Å; L1316-D1320 HydrophobicContact CD2-CB 4.27Å; P1317-D1320 PolarHBondContact O-N 3.37Å; Y1318-D1320 VanDerWaalsContact C-N 3.32Å; Y1318-D1320 PolarHBondContact O-N 2.87Å; D1320-L1323 PolarHBondContact O-N 2.78Å; D1320-Q1324 WeakPolarHBondContact O-CB 3.33Å; D1320-Q1324 WeakPolarHBondContact O-CG 3.44Å; D1320-Q1324 PolarHBondContact O-N 3.2Å |
| 1321 | Y | 88.4 | Confident | 77.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -57.4 | -50.8 | 171.9 | 154 | -96.8 | 0 | 0 | 0 | 111.4 | P1317 Y1318 L1323 Q1324 V1325 T1443 Y1447 L1450 F1741 V1742 | P1317-Y1321 PolarHBondContact O-N 3.02Å; Y1318-Y1321 PolarHBondContact O-N 2.83Å; Y1321-L1323 VanDerWaalsContact C-N 3.34Å; Y1321-L1323 PolarHBondContact O-N 2.79Å; Y1321-Q1324 PolarHBondContact O-N 3.46Å; Y1321-V1325 HydrophobicContact CD2-CG2 4.17Å; Y1321-V1325 HydrophobicContact CE2-CG2 3.93Å; Y1321-V1325 WeakPolarHBondContact O-CG2 3.45Å; Y1321-V1325 PolarHBondContact O-N 2.84Å; Y1321-T1443 HydrophobicContact CE1-CG2 3.85Å; Y1321-T1443 VanDerWaalsContact CE1-O 3.24Å; Y1321-T1443 WeakPolarHBondContact CE1-O 3.5Å; Y1321-T1443 PolarHBondContact OH-O 2.67Å; Y1321-Y1447 AromaticContact CD1-CD2 3.28Å; Y1321-Y1447 HydrophobicContact CD1-CD2 3.28Å; Y1321-Y1447 AromaticContact CD1-CE2 3.95Å; Y1321-Y1447 HydrophobicContact CD1-CE2 3.95Å; Y1321-Y1447 HydrophobicContact CD1-CG 4.04Å; Y1321-Y1447 HydrophobicContact CD2-CD2 4.37Å; Y1321-Y1447 AromaticContact CE1-CD2 3.66Å; Y1321-Y1447 HydrophobicContact CE1-CD2 3.66Å; Y1321-Y1447 HydrophobicContact CE1-CG 4.11Å; Y1321-Y1447 AromaticContact CG-CD2 3.7Å; Y1321-Y1447 HydrophobicContact CG-CD2 3.7Å; Y1321-Y1447 HydrophobicContact CG-CE2 4.02Å; Y1321-L1450 HydrophobicContact CD2-CD1 4.3Å; Y1321-L1450 HydrophobicContact CE2-CD1 3.41Å; Y1321-L1450 VanDerWaalsContact CE2-CD1 3.41Å; Y1321-F1741 WeakPolarHBondContact CA-O 3.19Å; Y1321-F1741 WeakPolarHBondContact CD2-O 3.45Å; Y1321-V1742 HydrophobicContact CD2-CG2 4.23Å; Y1321-V1742 HydrophobicContact CE2-CG2 4.29Å |
| 1322 | V | 87.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -56.3 | -48.3 | 178.5 | 158.9 | 0 | 0 | 0 | 0 | 110.8 | Y1318 V1325 L1326 F1444 L1828 | Y1318-V1322 HydrophobicContact CD1-CG2 4.06Å; Y1318-V1322 HydrophobicContact CD2-CG2 3.98Å; Y1318-V1322 HydrophobicContact CE1-CG2 3.8Å; Y1318-V1322 HydrophobicContact CE2-CG2 3.72Å; Y1318-V1322 HydrophobicContact CG-CG2 4.18Å; Y1318-V1322 VanDerWaalsContact O-CB 3.25Å; Y1318-V1322 WeakPolarHBondContact O-CB 3.35Å; Y1318-V1322 VanDerWaalsContact O-CG2 3.28Å; Y1318-V1322 WeakPolarHBondContact O-CG2 3.41Å; Y1318-V1322 PolarHBondContact O-N 2.95Å; V1322-V1325 PolarHBondContact O-N 2.8Å; V1322-L1326 HydrophobicContact CG1-CD1 3.54Å; V1322-L1326 HydrophobicContact CG1-CG 4.31Å; V1322-L1326 VanDerWaalsContact O-CB 3.26Å; V1322-L1326 WeakPolarHBondContact O-CB 3.32Å; V1322-L1326 VanDerWaalsContact O-CG 3.29Å; V1322-L1326 WeakPolarHBondContact O-CG 3.44Å; V1322-L1326 PolarHBondContact O-N 3Å; V1322-F1444 HydrophobicContact CB-CE1 4.45Å; V1322-F1444 HydrophobicContact CG1-CD1 4.3Å; V1322-F1444 HydrophobicContact CG1-CE1 3.6Å; V1322-F1444 HydrophobicContact CG2-CD1 3.77Å; V1322-F1444 HydrophobicContact CG2-CE1 3.92Å; V1322-L1828 HydrophobicContact CG1-CD1 3.97Å; V1322-L1828 HydrophobicContact CG1-CD2 3.97Å |
| 1323 | L | 80 | Confident | 77.1 | Confident | 3 Ų | 3 | 45.3 Ų | 45.3 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69.4 | -36.2 | -177.4 | -69.9 | 166.8 | 0 | 0 | 0 | 111.9 | K1319 D1320 Y1321 F1327 V1335 F1336 L1828 | K1319-L1323 HydrophobicContact CG-CD1 3.73Å; K1319-L1323 WeakPolarHBondContact O-CB 3.33Å; K1319-L1323 WeakPolarHBondContact O-CD1 3.13Å; K1319-L1323 WeakPolarHBondContact O-CG 3.49Å; K1319-L1323 PolarHBondContact O-N 2.94Å; D1320-L1323 PolarHBondContact O-N 2.78Å; Y1321-L1323 VanDerWaalsContact C-N 3.34Å; Y1321-L1323 PolarHBondContact O-N 2.79Å; L1323-F1327 HydrophobicContact CD2-CD2 3.98Å; L1323-F1327 HydrophobicContact CD2-CE2 4.27Å; L1323-F1327 CarbonylContact O-C 3.41Å; L1323-F1327 WeakPolarHBondContact O-CA 3.47Å; L1323-F1327 PolarHBondContact O-N 3.11Å; L1323-V1335 HydrophobicContact CD2-CG1 4.21Å; L1323-F1336 HydrophobicContact CB-CE1 4.26Å; L1323-F1336 HydrophobicContact CB-CE2 4Å; L1323-F1336 HydrophobicContact CB-CZ 3.55Å; L1323-F1336 HydrophobicContact CD1-CD1 3.88Å; L1323-F1336 HydrophobicContact CD1-CD2 4.34Å; L1323-F1336 HydrophobicContact CD1-CE1 3.47Å; L1323-F1336 VanDerWaalsContact CD1-CE1 3.47Å; L1323-F1336 HydrophobicContact CD1-CE2 3.98Å; L1323-F1336 HydrophobicContact CD1-CG 4.31Å; L1323-F1336 HydrophobicContact CD1-CZ 3.54Å; L1323-F1336 HydrophobicContact CD2-CE2 4.2Å; L1323-F1336 HydrophobicContact CD2-CZ 4.45Å; L1323-F1336 HydrophobicContact CG-CE1 4.43Å; L1323-F1336 HydrophobicContact CG-CE2 4.28Å; L1323-F1336 HydrophobicContact CG-CZ 4.02Å; L1323-L1828 HydrophobicContact CD1-CD2 4.48Å; L1323-L1828 HydrophobicContact CD2-CD2 4.34Å; L1323-L1828 HydrophobicContact CG-CD2 4.26Å |
| 1324 | Q | 81.5 | Confident | 75.9 | Confident | 58 Ų | 58 | 45.6 Ų | 45.6 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.3 | -35.9 | 174.6 | -73.9 | -161.2 | 56.2 | 0 | 0 | 113.1 | D1320 Y1321 P1328 H1740 F1741 | D1320-Q1324 WeakPolarHBondContact O-CB 3.33Å; D1320-Q1324 WeakPolarHBondContact O-CG 3.44Å; D1320-Q1324 PolarHBondContact O-N 3.2Å; Y1321-Q1324 PolarHBondContact O-N 3.46Å; Q1324-P1328 VanDerWaalsContact O-CA 3.25Å; Q1324-P1328 WeakPolarHBondContact O-CA 3.43Å; Q1324-P1328 WeakPolarHBondContact O-CB 3.38Å; Q1324-H1740 PolarHBondContact NE2-O 2.75Å; Q1324-H1740 PolarHBondContact OE1-O 2.82Å; Q1324-H1740 VanDerWaalsContact OE1-O 3.06Å; Q1324-F1741 HydrophobicContact CB-CB 4.28Å; Q1324-F1741 HydrophobicContact CB-CD1 3.92Å; Q1324-F1741 HydrophobicContact CB-CG 4.24Å |
| 1325 | V | 83.6 | Confident | 74.7 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.03 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.3 | -34.9 | 178.5 | -179.7 | 0 | 0 | 0 | 0 | 112.8 | Y1321 V1322 R1436 T1443 L1735 F1741 | Y1321-V1325 HydrophobicContact CD2-CG2 4.17Å; Y1321-V1325 HydrophobicContact CE2-CG2 3.93Å; Y1321-V1325 WeakPolarHBondContact O-CG2 3.45Å; Y1321-V1325 PolarHBondContact O-N 2.84Å; V1322-V1325 PolarHBondContact O-N 2.8Å; V1325-R1436 PolarHBondContact O-NH2 3.29Å; V1325-R1436 VanDerWaalsContact O-NH2 3.11Å; V1325-T1443 HydrophobicContact CB-CG2 3.67Å; V1325-T1443 HydrophobicContact CG1-CG2 3.52Å; V1325-T1443 WeakPolarHBondContact CG1-OG1 3.49Å; V1325-T1443 HydrophobicContact CG2-CG2 4.24Å; V1325-L1735 HydrophobicContact CG2-CD2 4.09Å; V1325-F1741 HydrophobicContact CG2-CB 3.99Å; V1325-F1741 HydrophobicContact CG2-CD2 4.13Å; V1325-F1741 HydrophobicContact CG2-CG 4.37Å |
| 1326 | L | 83 | Confident | 73 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.8 | -41.3 | 177.4 | -71.6 | 176.6 | 0 | 0 | 0 | 113 | V1322 P1328 S1388 V1392 R1436 A1440 F1444 | V1322-L1326 HydrophobicContact CG1-CD1 3.54Å; V1322-L1326 HydrophobicContact CG1-CG 4.31Å; V1322-L1326 VanDerWaalsContact O-CB 3.26Å; V1322-L1326 WeakPolarHBondContact O-CB 3.32Å; V1322-L1326 VanDerWaalsContact O-CG 3.29Å; V1322-L1326 WeakPolarHBondContact O-CG 3.44Å; V1322-L1326 PolarHBondContact O-N 3Å; L1326-P1328 WeakPolarHBondContact O-CD 3.25Å; L1326-S1388 PolarHBondContact O-OG 3.26Å; L1326-V1392 HydrophobicContact CD1-CG2 3.88Å; L1326-R1436 PolarHBondContact O-NH2 3.02Å; L1326-A1440 HydrophobicContact CD2-CB 3.48Å; L1326-A1440 VanDerWaalsContact CD2-CB 3.48Å; L1326-F1444 HydrophobicContact CD1-CE1 4.12Å; L1326-F1444 HydrophobicContact CD1-CZ 4.06Å |
| 1327 | F | 81.7 | Confident | 71.4 | Confident | 18 Ų | 18 | 50.9 Ų | 50.9 | 8% | 0.079 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -127 | 54.8 | -175.6 | -54.1 | -77.4 | 0 | 0 | 0 | 111.9 | L1323 V1330 H1333 L1389 V1392 | L1323-F1327 HydrophobicContact CD2-CD2 3.98Å; L1323-F1327 HydrophobicContact CD2-CE2 4.27Å; L1323-F1327 CarbonylContact O-C 3.41Å; L1323-F1327 WeakPolarHBondContact O-CA 3.47Å; L1323-F1327 PolarHBondContact O-N 3.11Å; F1327-V1330 PolarHBondContact O-N 3.41Å; F1327-H1333 AromaticContact CD1-CE1 4Å; F1327-H1333 AromaticContact CD1-NE2 3.92Å; F1327-H1333 AromaticContact CE1-CE1 3.75Å; F1327-H1333 AromaticContact CE1-NE2 3.98Å; F1327-L1389 HydrophobicContact CE1-CD2 4.39Å; F1327-L1389 HydrophobicContact CE1-CG 4.42Å; F1327-L1389 HydrophobicContact CZ-CD2 4.11Å; F1327-L1389 HydrophobicContact CZ-CG 4.39Å; F1327-V1392 HydrophobicContact CE2-CG2 4.06Å; F1327-V1392 HydrophobicContact CZ-CG2 4.3Å |
| 1328 | P | 70.2 | Confident | 69.8 | Low | 52 Ų | 52 | 50.9 Ų | 50.9 | 34% | 0.338 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 144 | -178.7 | 25 | -34.5 | 0 | 0 | 0 | 110.9 | Q1324 L1326 V1330 F1741 | Q1324-P1328 VanDerWaalsContact O-CA 3.25Å; Q1324-P1328 WeakPolarHBondContact O-CA 3.43Å; Q1324-P1328 WeakPolarHBondContact O-CB 3.38Å; L1326-P1328 WeakPolarHBondContact O-CD 3.25Å; P1328-V1330 VanDerWaalsContact C-N 3.29Å; P1328-V1330 PolarHBondContact O-N 2.83Å; P1328-F1741 HydrophobicContact CB-CE1 4.44Å; P1328-F1741 HydrophobicContact CB-CE2 4.43Å; P1328-F1741 HydrophobicContact CB-CZ 3.81Å |
| 1329 | S | 62.1 | Low | 68 | Low | 130 Ų | 130 | 55.7 Ų | 55.7 | 91% | 0.909 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | 11.8 | -176.5 | 69.7 | 0 | 0 | 0 | 0 | 117.3 | ||
| 1330 | V | 60 | Low | 66.5 | Low | 61 Ų | 61 | 54.8 Ų | 54.8 | 37% | 0.37 | 33% | 0.328 | S | S | . | . | trans | -117.1 | 91 | 173.2 | -167.3 | 0 | 0 | 0 | 0 | 111.1 | F1327 P1328 S1332 H1333 | F1327-V1330 PolarHBondContact O-N 3.41Å; P1328-V1330 VanDerWaalsContact C-N 3.29Å; P1328-V1330 PolarHBondContact O-N 2.83Å; V1330-S1332 PolarHBondContact O-N 3.13Å; V1330-S1332 VanDerWaalsContact O-N 3.08Å; V1330-H1333 HydrophobicContact CB-CB 4.46Å; V1330-H1333 HydrophobicContact CG1-CB 3.89Å | ||
| 1331 | T | 53.4 | Low | 65 | Low | 139 Ų | 139 | 55.7 Ų | 55.7 | 85% | 0.853 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | 2.4 | 178.5 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1332 | S | 51.5 | Low | 63.4 | Low | 98 Ų | 98 | 57.2 Ų | 57.2 | 69% | 0.685 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -155.5 | 52.3 | -174.3 | 54.1 | 0 | 0 | 0 | 0 | 112.4 | V1330 | V1330-S1332 PolarHBondContact O-N 3.13Å; V1330-S1332 VanDerWaalsContact O-N 3.08Å |
| 1333 | H | 56.8 | Low | 61.8 | Low | 37 Ų | 37 | 62.3 Ų | 62.3 | 17% | 0.171 | 38% | 0.377 | C | S | . | . | trans | -73.3 | 150.7 | 175.2 | -163.5 | -100.4 | 0 | 0 | 0 | 111.2 | F1327 V1330 V1335 F1336 | F1327-H1333 AromaticContact CD1-CE1 4Å; F1327-H1333 AromaticContact CD1-NE2 3.92Å; F1327-H1333 AromaticContact CE1-CE1 3.75Å; F1327-H1333 AromaticContact CE1-NE2 3.98Å; V1330-H1333 HydrophobicContact CB-CB 4.46Å; V1330-H1333 HydrophobicContact CG1-CB 3.89Å; H1333-V1335 PolarHBondContact O-N 2.84Å; H1333-F1336 HydrophobicContact CB-CD2 3.9Å; H1333-F1336 HydrophobicContact CB-CE2 4.18Å; H1333-F1336 WeakPolarHBondContact O-CB 3.39Å; H1333-F1336 PolarHBondContact O-N 3.5Å | ||
| 1334 | G | 54 | Low | 60.6 | Low | 43 Ų | 43 | 71.9 Ų | 71.9 | 44% | 0.443 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -57.6 | -24.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | F1336 | G1334-F1336 PolarHBondContact O-N 2.78Š|
| 1335 | V | 59.5 | Low | 59.8 | Low | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.006 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -70.7 | -12.5 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 113.2 | L1323 H1333 L1389 V1392 D1829 A1833 | L1323-V1335 HydrophobicContact CD2-CG1 4.21Å; H1333-V1335 PolarHBondContact O-N 2.84Å; V1335-L1389 HydrophobicContact CG2-CD2 4.32Å; V1335-V1392 HydrophobicContact CG1-CG1 4.26Å; V1335-D1829 HydrophobicContact CG1-CB 4.44Å; V1335-D1829 WeakPolarHBondContact O-CB 3.46Å; V1335-A1833 HydrophobicContact CG2-CB 4.13Å |
| 1336 | F | 52.7 | Low | 59.2 | Low | 74 Ų | 74 | 78.2 Ų | 78.2 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -81.7 | -27.8 | 178.1 | -83.3 | -93.4 | 0 | 0 | 0 | 114.1 | L1323 H1333 G1334 | L1323-F1336 HydrophobicContact CB-CE1 4.26Å; L1323-F1336 HydrophobicContact CB-CE2 4Å; L1323-F1336 HydrophobicContact CB-CZ 3.55Å; L1323-F1336 HydrophobicContact CD1-CD1 3.88Å; L1323-F1336 HydrophobicContact CD1-CD2 4.34Å; L1323-F1336 HydrophobicContact CD1-CE1 3.47Å; L1323-F1336 VanDerWaalsContact CD1-CE1 3.47Å; L1323-F1336 HydrophobicContact CD1-CE2 3.98Å; L1323-F1336 HydrophobicContact CD1-CG 4.31Å; L1323-F1336 HydrophobicContact CD1-CZ 3.54Å; L1323-F1336 HydrophobicContact CD2-CE2 4.2Å; L1323-F1336 HydrophobicContact CD2-CZ 4.45Å; L1323-F1336 HydrophobicContact CG-CE1 4.43Å; L1323-F1336 HydrophobicContact CG-CE2 4.28Å; L1323-F1336 HydrophobicContact CG-CZ 4.02Å; H1333-F1336 HydrophobicContact CB-CD2 3.9Å; H1333-F1336 HydrophobicContact CB-CE2 4.18Å; H1333-F1336 WeakPolarHBondContact O-CB 3.39Å; H1333-F1336 PolarHBondContact O-N 3.5Å; G1334-F1336 PolarHBondContact O-N 2.78Å |
| 1337 | R | 52.6 | Low | 58.8 | Low | 124 Ų | 124 | 80.3 Ų | 80.3 | 47% | 0.468 | 47% | 0.465 | S | S | . | . | trans | -103.4 | 108.7 | -176.5 | -77.3 | -169 | 177.3 | -148.7 | 8.1 | 110.5 | E1339 I1903 | R1337-E1339 HydrophobicContact CB-CB 4.3Å; R1337-E1339 WeakPolarHBondContact CD-OE2 3.37Å; R1337-E1339 IonicContact CZ-OE2 2.7Å; R1337-E1339 IonicContact NE-OE2 3.35Å; R1337-E1339 IonicContact NH1-OE2 2.68Å; R1337-E1339 PolarHBondContact NH1-OE2 2.82Å; R1337-E1339 PolarHBondContact O-N 2.76Å; R1337-I1903 PolarHBondContact NH1-O 3.04Å; R1337-I1903 PolarHBondContact NH2-O 2.82Å | ||
| 1338 | G | 51.1 | Low | 58.6 | Low | 74 Ų | 74 | 81.2 Ų | 81.2 | 76% | 0.763 | 47% | 0.469 | S | S | * | . | trans | -67.1 | 37.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1339 | E | 50.9 | Low | 59.1 | Low | 114 Ų | 114 | 81.2 Ų | 81.2 | 53% | 0.533 | 46% | 0.464 | S | S | . | . | trans | -116.7 | 28 | 178.1 | -62.2 | -173.6 | 136.3 | 0 | 0 | 111.1 | R1337 D1341 | R1337-E1339 HydrophobicContact CB-CB 4.3Å; R1337-E1339 WeakPolarHBondContact CD-OE2 3.37Å; R1337-E1339 IonicContact CZ-OE2 2.7Å; R1337-E1339 IonicContact NE-OE2 3.35Å; R1337-E1339 IonicContact NH1-OE2 2.68Å; R1337-E1339 PolarHBondContact NH1-OE2 2.82Å; R1337-E1339 PolarHBondContact O-N 2.76Å; E1339-D1341 PolarHBondContact O-N 2.82Å | ||
| 1340 | L | 52.9 | Low | 60.1 | Low | 54 Ų | 54 | 81.1 Ų | 81.1 | 28% | 0.283 | 45% | 0.448 | S | S | . | . | trans | -63.4 | 98.1 | 147.8 | -99.4 | 167.1 | 0 | 0 | 0 | 106.2 | L1342 F1348 N1835 | L1340-L1342 HydrophobicContact CB-CD1 4.26Å; L1340-L1342 HydrophobicContact CB-CG 4.09Å; L1340-L1342 WeakPolarHBondContact O-CG 3.45Å; L1340-L1342 PolarHBondContact O-N 3.16Å; L1340-F1348 HydrophobicContact CD2-CE1 4.13Å; L1340-N1835 HydrophobicContact CD1-CB 4.3Å | ||
| 1341 | D | 51.2 | Low | 61.3 | Low | 80 Ų | 80 | 78.2 Ų | 78.2 | 43% | 0.428 | 43% | 0.43 | S | S | . | . | trans | -71.4 | 63.1 | 179.1 | -173 | 18.2 | 0 | 0 | 0 | 110.9 | E1339 S1343 R1344 | E1339-D1341 PolarHBondContact O-N 2.82Å; D1341-S1343 PolarHBondContact O-N 2.81Å; D1341-S1343 VanDerWaalsContact O-N 3.15Å; D1341-S1343 VanDerWaalsContact OD1-CB 3.22Å; D1341-S1343 WeakPolarHBondContact OD1-CB 3.44Å; D1341-S1343 PolarHBondContact OD1-OG 2.79Å; D1341-R1344 PolarHBondContact O-N 3Å; D1341-R1344 WeakPolarHBondContact OD2-CD 2.99Å; D1341-R1344 WeakPolarHBondContact OD2-CG 3.41Å; D1341-R1344 IonicContact OD2-CZ 3.99Å; D1341-R1344 IonicContact OD2-NE 2.9Å; D1341-R1344 IonicContact OD2-NH1 2.9Å | ||
| 1342 | L | 55.5 | Low | 63 | Low | 32 Ų | 32 | 71.6 Ų | 71.6 | 17% | 0.168 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -59.6 | -23.1 | -179 | -67.6 | 159.9 | 0 | 0 | 0 | 111.3 | L1340 R1344 Q1345 F1348 E1349 M1831 | L1340-L1342 HydrophobicContact CB-CD1 4.26Å; L1340-L1342 HydrophobicContact CB-CG 4.09Å; L1340-L1342 WeakPolarHBondContact O-CG 3.45Å; L1340-L1342 PolarHBondContact O-N 3.16Å; L1342-R1344 PolarHBondContact O-N 2.84Å; L1342-Q1345 CarbonylContact O-C 3.48Å; L1342-Q1345 PolarHBondContact O-N 3.5Å; L1342-F1348 HydrophobicContact CD2-CD1 3.94Å; L1342-E1349 HydrophobicContact CB-CB 4.29Å; L1342-E1349 HydrophobicContact CB-CG 4.31Å; L1342-E1349 HydrophobicContact CD1-CG 4.17Å; L1342-E1349 HydrophobicContact CD2-CB 3.83Å; L1342-E1349 HydrophobicContact CD2-CG 4.05Å; L1342-E1349 HydrophobicContact CG-CB 4.5Å; L1342-E1349 HydrophobicContact CG-CG 4.39Å; L1342-M1831 HydrophobicContact CD1-CB 4.41Å; L1342-M1831 HydrophobicContact CD1-CE 4.15Å |
| 1343 | S | 54.4 | Low | 64.7 | Low | 107 Ų | 107 | 73.8 Ų | 73.8 | 75% | 0.748 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -47.4 | -29.1 | 167.1 | -16 | 0 | 0 | 0 | 0 | 113.5 | D1341 | D1341-S1343 PolarHBondContact O-N 2.81Å; D1341-S1343 VanDerWaalsContact O-N 3.15Å; D1341-S1343 VanDerWaalsContact OD1-CB 3.22Å; D1341-S1343 WeakPolarHBondContact OD1-CB 3.44Å; D1341-S1343 PolarHBondContact OD1-OG 2.79Å |
| 1344 | R | 53.8 | Low | 66.3 | Low | 205 Ų | 205 | 72.9 Ų | 72.9 | 77% | 0.774 | 38% | 0.379 | S | S | * | . | G | 310 helix | trans | -90.8 | -17 | 178.9 | -75.7 | -176.4 | 166.8 | 167.8 | -3.5 | 115.3 | D1341 L1342 | D1341-R1344 PolarHBondContact O-N 3Å; D1341-R1344 WeakPolarHBondContact OD2-CD 2.99Å; D1341-R1344 WeakPolarHBondContact OD2-CG 3.41Å; D1341-R1344 IonicContact OD2-CZ 3.99Å; D1341-R1344 IonicContact OD2-NE 2.9Å; D1341-R1344 IonicContact OD2-NH1 2.9Å; L1342-R1344 PolarHBondContact O-N 2.84Å |
| 1345 | Q | 65 | Low | 68.1 | Low | 102 Ų | 102 | 70.9 Ų | 70.9 | 48% | 0.477 | 36% | 0.358 | S | S | . | . | trans | -143.1 | 79.2 | -177.3 | -70.3 | -168.4 | -15.3 | 0 | 0 | 112.3 | L1342 S1347 F1348 E1349 | L1342-Q1345 CarbonylContact O-C 3.48Å; L1342-Q1345 PolarHBondContact O-N 3.5Å; Q1345-S1347 PolarHBondContact O-N 3.19Å; Q1345-F1348 HydrophobicContact CB-CB 3.76Å; Q1345-F1348 WeakPolarHBondContact O-CB 3.33Å; Q1345-F1348 PolarHBondContact O-N 3.24Å; Q1345-E1349 PolarHBondContact O-N 3.07Å; Q1345-E1349 VanDerWaalsContact O-N 3.17Å | ||
| 1346 | P | 70.2 | Confident | 69.7 | Low | 94 Ų | 94 | 72.7 Ų | 72.7 | 61% | 0.61 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -64.7 | -20.2 | 178.4 | 25.8 | -34.9 | 0 | 0 | 0 | 113.7 | K1350 | P1346-K1350 VanDerWaalsContact O-CB 3.22Å; P1346-K1350 WeakPolarHBondContact O-CB 3.39Å; P1346-K1350 PolarHBondContact O-N 2.84Å; P1346-K1350 VanDerWaalsContact O-N 3.11Å |
| 1347 | S | 75.6 | Confident | 71.4 | Confident | 48 Ų | 48 | 75.5 Ų | 75.5 | 34% | 0.336 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -65.2 | -44.9 | 169.3 | 45.6 | 0 | 0 | 0 | 0 | 112.1 | Q1345 K1350 G1351 | Q1345-S1347 PolarHBondContact O-N 3.19Å; S1347-K1350 PolarHBondContact O-N 2.86Å; S1347-G1351 PolarHBondContact O-N 2.92Å |
| 1348 | F | 77.9 | Confident | 73.3 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 16% | 0.162 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 179.8 | -170.1 | -98 | 0 | 0 | 0 | 111.2 | L1340 L1342 Q1345 K1350 G1351 L1352 N1835 M1874 | L1340-F1348 HydrophobicContact CD2-CE1 4.13Å; L1342-F1348 HydrophobicContact CD2-CD1 3.94Å; Q1345-F1348 HydrophobicContact CB-CB 3.76Å; Q1345-F1348 WeakPolarHBondContact O-CB 3.33Å; Q1345-F1348 PolarHBondContact O-N 3.24Å; F1348-K1350 VanDerWaalsContact C-N 3.32Å; F1348-K1350 PolarHBondContact O-N 2.79Å; F1348-G1351 PolarHBondContact O-N 2.78Å; F1348-G1351 VanDerWaalsContact O-N 3.13Å; F1348-L1352 HydrophobicContact CD1-CD1 3.94Å; F1348-L1352 HydrophobicContact CD1-CG 4.42Å; F1348-L1352 HydrophobicContact CE1-CD1 3.59Å; F1348-L1352 HydrophobicContact CE1-CG 4.24Å; F1348-L1352 HydrophobicContact CZ-CD1 4.36Å; F1348-L1352 PolarHBondContact O-N 2.9Å; F1348-N1835 WeakPolarHBondContact CZ-OD1 3.33Å; F1348-M1874 HydrophobicContact CD2-CE 3.79Å; F1348-M1874 HydrophobicContact CD2-SD 3.84Å; F1348-M1874 HydrophobicContact CE1-CE 4.41Å; F1348-M1874 HydrophobicContact CE2-CE 3.31Å; F1348-M1874 HydrophobicContact CE2-SD 4.03Å; F1348-M1874 HydrophobicContact CG-SD 4.32Å; F1348-M1874 HydrophobicContact CZ-CE 3.67Å |
| 1349 | E | 80.1 | Confident | 75.3 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 24% | 0.238 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 173.1 | -163.9 | -171 | 179.1 | 0 | 0 | 111.8 | L1342 Q1345 G1351 L1352 R1353 M1831 | L1342-E1349 HydrophobicContact CB-CB 4.29Å; L1342-E1349 HydrophobicContact CB-CG 4.31Å; L1342-E1349 HydrophobicContact CD1-CG 4.17Å; L1342-E1349 HydrophobicContact CD2-CB 3.83Å; L1342-E1349 HydrophobicContact CD2-CG 4.05Å; L1342-E1349 HydrophobicContact CG-CB 4.5Å; L1342-E1349 HydrophobicContact CG-CG 4.39Å; Q1345-E1349 PolarHBondContact O-N 3.07Å; Q1345-E1349 VanDerWaalsContact O-N 3.17Å; E1349-G1351 VanDerWaalsContact C-N 3.31Å; E1349-G1351 PolarHBondContact O-N 2.86Å; E1349-L1352 PolarHBondContact O-N 2.92Å; E1349-R1353 WeakPolarHBondContact O-CB 3.4Å; E1349-R1353 VanDerWaalsContact O-CG 3.32Å; E1349-R1353 WeakPolarHBondContact O-CG 3.36Å; E1349-R1353 PolarHBondContact O-N 2.61Å; E1349-R1353 IonicContact OE1-CZ 2.83Å; E1349-R1353 IonicContact OE1-NE 3.76Å; E1349-R1353 PolarHBondContact OE1-NE 3.48Å; E1349-R1353 IonicContact OE1-NH2 2.65Å; E1349-R1353 PolarHBondContact OE1-NH2 2.67Å; E1349-R1353 IonicContact OE2-NH2 2.78Å; E1349-M1831 HydrophobicContact CG-CE 3.65Å |
| 1350 | K | 83.8 | Confident | 77.2 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.4 | -35.2 | 176.6 | -169.9 | 177.4 | -176.4 | 175.3 | 0 | 112.3 | P1346 S1347 F1348 L1354 L1873 | P1346-K1350 VanDerWaalsContact O-CB 3.22Å; P1346-K1350 WeakPolarHBondContact O-CB 3.39Å; P1346-K1350 PolarHBondContact O-N 2.84Å; P1346-K1350 VanDerWaalsContact O-N 3.11Å; S1347-K1350 PolarHBondContact O-N 2.86Å; F1348-K1350 VanDerWaalsContact C-N 3.32Å; F1348-K1350 PolarHBondContact O-N 2.79Å; K1350-L1354 WeakPolarHBondContact O-CB 3.29Å; K1350-L1354 PolarHBondContact O-N 3.05Å; K1350-L1873 HydrophobicContact CD-CD1 4.5Å; K1350-L1873 HydrophobicContact CD-CD2 4.29Å; K1350-L1873 HydrophobicContact CG-CD1 4.12Å |
| 1351 | G | 85.2 | Confident | 79 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.7 | -50.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | S1347 F1348 E1349 L1354 L1355 | S1347-G1351 PolarHBondContact O-N 2.92Å; F1348-G1351 PolarHBondContact O-N 2.78Å; F1348-G1351 VanDerWaalsContact O-N 3.13Å; E1349-G1351 VanDerWaalsContact C-N 3.31Å; E1349-G1351 PolarHBondContact O-N 2.86Å; G1351-L1354 PolarHBondContact O-N 3Å; G1351-L1355 WeakPolarHBondContact O-CB 3.36Å; G1351-L1355 PolarHBondContact O-N 3.43Å |
| 1352 | L | 88.1 | Confident | 80.9 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 176.5 | -69.7 | 178.8 | 0 | 0 | 0 | 112.7 | F1348 E1349 L1354 L1355 N1356 M1831 L1834 N1835 M1874 | F1348-L1352 HydrophobicContact CD1-CD1 3.94Å; F1348-L1352 HydrophobicContact CD1-CG 4.42Å; F1348-L1352 HydrophobicContact CE1-CD1 3.59Å; F1348-L1352 HydrophobicContact CE1-CG 4.24Å; F1348-L1352 HydrophobicContact CZ-CD1 4.36Å; F1348-L1352 PolarHBondContact O-N 2.9Å; E1349-L1352 PolarHBondContact O-N 2.92Å; L1352-L1354 VanDerWaalsContact C-N 3.33Å; L1352-L1354 PolarHBondContact O-N 2.95Å; L1352-L1355 HydrophobicContact CD2-CD2 4.4Å; L1352-L1355 WeakPolarHBondContact O-CB 3.21Å; L1352-L1355 PolarHBondContact O-N 3.28Å; L1352-N1356 PolarHBondContact O-N 3.07Å; L1352-M1831 HydrophobicContact CB-CE 3.58Å; L1352-M1831 HydrophobicContact CB-SD 4.24Å; L1352-M1831 HydrophobicContact CD1-CE 3.99Å; L1352-M1831 HydrophobicContact CG-CE 4.46Å; L1352-L1834 HydrophobicContact CD2-CB 4.04Å; L1352-N1835 HydrophobicContact CD1-CB 4.3Å; L1352-N1835 HydrophobicContact CD2-CB 4.3Å; L1352-M1874 HydrophobicContact CD2-CE 3.5Å; L1352-M1874 VanDerWaalsContact CD2-CE 3.5Å; L1352-M1874 HydrophobicContact CD2-SD 4.14Å; L1352-M1874 HydrophobicContact CG-CE 3.9Å; L1352-M1874 HydrophobicContact CG-SD 4.04Å |
| 1353 | R | 88.2 | Confident | 82.5 | Confident | 144 Ų | 144 | 61.5 Ų | 61.5 | 54% | 0.543 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.3 | -38.7 | 174 | -71.8 | 176 | -178.1 | -154.6 | 4 | 112 | E1349 N1356 Q1357 M1831 | E1349-R1353 WeakPolarHBondContact O-CB 3.4Å; E1349-R1353 VanDerWaalsContact O-CG 3.32Å; E1349-R1353 WeakPolarHBondContact O-CG 3.36Å; E1349-R1353 PolarHBondContact O-N 2.61Å; E1349-R1353 IonicContact OE1-CZ 2.83Å; E1349-R1353 IonicContact OE1-NE 3.76Å; E1349-R1353 PolarHBondContact OE1-NE 3.48Å; E1349-R1353 IonicContact OE1-NH2 2.65Å; E1349-R1353 PolarHBondContact OE1-NH2 2.67Å; E1349-R1353 IonicContact OE2-NH2 2.78Å; R1353-N1356 WeakPolarHBondContact O-CB 3.36Å; R1353-N1356 PolarHBondContact O-N 2.95Å; R1353-Q1357 WeakPolarHBondContact O-CG 3.29Å; R1353-Q1357 PolarHBondContact O-N 2.88Å; R1353-Q1357 VanDerWaalsContact O-N 3.14Å; R1353-M1831 HydrophobicContact CG-CE 4.21Å |
| 1354 | L | 89.7 | Confident | 84.4 | Confident | 18 Ų | 18 | 56.4 Ų | 56.4 | 9% | 0.094 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -33.1 | 174.9 | -175.5 | 67.4 | 0 | 0 | 0 | 112 | K1350 G1351 L1352 Q1357 L1358 Q1869 V1870 L1873 | K1350-L1354 WeakPolarHBondContact O-CB 3.29Å; K1350-L1354 PolarHBondContact O-N 3.05Å; G1351-L1354 PolarHBondContact O-N 3Å; L1352-L1354 VanDerWaalsContact C-N 3.33Å; L1352-L1354 PolarHBondContact O-N 2.95Å; L1354-Q1357 WeakPolarHBondContact O-CB 3.41Å; L1354-Q1357 PolarHBondContact O-N 3.2Å; L1354-L1358 PolarHBondContact O-N 3.4Å; L1354-L1358 VanDerWaalsContact O-N 3.08Å; L1354-Q1869 HydrophobicContact CD2-CB 3.85Å; L1354-Q1869 HydrophobicContact CD2-CG 3.55Å; L1354-V1870 HydrophobicContact CB-CG2 3.85Å; L1354-V1870 HydrophobicContact CD2-CG2 3.69Å; L1354-V1870 HydrophobicContact CG-CG2 3.56Å; L1354-L1873 HydrophobicContact CD2-CD1 3.95Å |
| 1355 | L | 91.9 | Very high | 86.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -39.4 | 170.8 | -178.8 | 62.4 | 0 | 0 | 0 | 111.6 | G1351 L1352 Q1357 L1358 F1359 L1834 Y1838 V1841 V1870 | G1351-L1355 WeakPolarHBondContact O-CB 3.36Å; G1351-L1355 PolarHBondContact O-N 3.43Å; L1352-L1355 HydrophobicContact CD2-CD2 4.4Å; L1352-L1355 WeakPolarHBondContact O-CB 3.21Å; L1352-L1355 PolarHBondContact O-N 3.28Å; L1355-Q1357 VanDerWaalsContact C-N 3.34Å; L1355-Q1357 PolarHBondContact O-N 3.35Å; L1355-L1358 WeakPolarHBondContact O-CB 3.16Å; L1355-L1358 PolarHBondContact O-N 2.96Å; L1355-L1358 VanDerWaalsContact O-N 3.1Å; L1355-F1359 HydrophobicContact CD1-CD2 4.14Å; L1355-F1359 HydrophobicContact CD1-CE2 3.69Å; L1355-F1359 HydrophobicContact CD1-CZ 4.27Å; L1355-F1359 HydrophobicContact CD2-CE2 3.99Å; L1355-F1359 HydrophobicContact CG-CD2 3.91Å; L1355-F1359 HydrophobicContact CG-CE2 3.61Å; L1355-F1359 WeakPolarHBondContact O-CD2 3.24Å; L1355-F1359 PolarHBondContact O-N 2.94Å; L1355-L1834 HydrophobicContact CD2-CD2 4.48Å; L1355-L1834 HydrophobicContact CG-CD2 4.36Å; L1355-Y1838 HydrophobicContact CD2-CD2 3.92Å; L1355-Y1838 HydrophobicContact CD2-CG 4.29Å; L1355-V1841 HydrophobicContact CD1-CG1 4.44Å; L1355-V1841 HydrophobicContact CD1-CG2 4.16Å; L1355-V1870 HydrophobicContact CB-CG1 3.97Å; L1355-V1870 HydrophobicContact CB-CG2 4.26Å; L1355-V1870 HydrophobicContact CD1-CG1 4.35Å |
| 1356 | N | 92 | Very high | 87.6 | Confident | 39 Ų | 39 | 42.5 Ų | 42.5 | 21% | 0.209 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 172.7 | -159.1 | 9 | 0 | 0 | 0 | 111.1 | L1352 R1353 L1358 F1359 M1360 L1834 | L1352-N1356 PolarHBondContact O-N 3.07Å; R1353-N1356 WeakPolarHBondContact O-CB 3.36Å; R1353-N1356 PolarHBondContact O-N 2.95Å; N1356-L1358 PolarHBondContact O-N 2.79Å; N1356-F1359 PolarHBondContact O-N 2.96Å; N1356-F1359 VanDerWaalsContact O-N 3.09Å; N1356-M1360 VanDerWaalsContact O-CG 3.3Å; N1356-M1360 WeakPolarHBondContact O-CG 3.26Å; N1356-M1360 PolarHBondContact O-N 2.94Å; N1356-M1360 WeakPolarHBondContact OD1-CE 3.19Å; N1356-L1834 HydrophobicContact CB-CD1 3.69Å; N1356-L1834 HydrophobicContact CB-CD2 4.13Å |
| 1357 | Q | 90.3 | Very high | 88.6 | Confident | 134 Ų | 134 | 38.5 Ų | 38.5 | 63% | 0.626 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -60.2 | -28.1 | 174.2 | -68.6 | 177.8 | 5.3 | 0 | 0 | 113.5 | R1353 L1354 L1355 | R1353-Q1357 WeakPolarHBondContact O-CG 3.29Å; R1353-Q1357 PolarHBondContact O-N 2.88Å; R1353-Q1357 VanDerWaalsContact O-N 3.14Å; L1354-Q1357 WeakPolarHBondContact O-CB 3.41Å; L1354-Q1357 PolarHBondContact O-N 3.2Å; L1355-Q1357 VanDerWaalsContact C-N 3.34Å; L1355-Q1357 PolarHBondContact O-N 3.35Å |
| 1358 | L | 91.6 | Very high | 89.4 | Confident | 2 Ų | 2 | 36.3 Ų | 36.3 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.1 | -47.3 | 170.4 | -73.5 | 175.2 | 0 | 0 | 0 | 111.6 | L1354 L1355 N1356 M1360 S1361 F1364 L1863 K1866 L1867 V1870 | L1354-L1358 PolarHBondContact O-N 3.4Å; L1354-L1358 VanDerWaalsContact O-N 3.08Å; L1355-L1358 WeakPolarHBondContact O-CB 3.16Å; L1355-L1358 PolarHBondContact O-N 2.96Å; L1355-L1358 VanDerWaalsContact O-N 3.1Å; N1356-L1358 PolarHBondContact O-N 2.79Å; L1358-M1360 PolarHBondContact O-N 2.81Å; L1358-S1361 WeakPolarHBondContact O-CA 3.2Å; L1358-S1361 VanDerWaalsContact O-CB 3.25Å; L1358-S1361 WeakPolarHBondContact O-CB 3.46Å; L1358-S1361 PolarHBondContact O-N 3.39Å; L1358-F1364 VanDerWaalsContact C-CD1 3.49Å; L1358-F1364 HydrophobicContact CB-CD1 3.69Å; L1358-F1364 HydrophobicContact CB-CD2 4.1Å; L1358-F1364 HydrophobicContact CB-CE1 3.7Å; L1358-F1364 HydrophobicContact CB-CE2 4.11Å; L1358-F1364 HydrophobicContact CB-CG 3.89Å; L1358-F1364 HydrophobicContact CB-CZ 3.91Å; L1358-F1364 HydrophobicContact CD1-CD2 4.4Å; L1358-F1364 HydrophobicContact CD1-CE2 3.86Å; L1358-F1364 HydrophobicContact CD1-CZ 3.96Å; L1358-F1364 HydrophobicContact CD2-CD2 4Å; L1358-F1364 HydrophobicContact CD2-CE2 4.28Å; L1358-F1364 HydrophobicContact CD2-CG 4.36Å; L1358-F1364 HydrophobicContact CG-CD2 4.41Å; L1358-F1364 HydrophobicContact CG-CE2 4.33Å; L1358-F1364 HydrophobicContact CG-CZ 4.47Å; L1358-F1364 VanDerWaalsContact O-CB 3.32Å; L1358-F1364 WeakPolarHBondContact O-CB 3.4Å; L1358-F1364 WeakPolarHBondContact O-CD1 3.06Å; L1358-L1863 HydrophobicContact CD2-CD2 4.18Å; L1358-K1866 HydrophobicContact CD2-CB 3.69Å; L1358-K1866 HydrophobicContact CD2-CD 4.22Å; L1358-K1866 HydrophobicContact CG-CB 4.39Å; L1358-L1867 HydrophobicContact CD1-CB 4.15Å; L1358-L1867 HydrophobicContact CD1-CD1 4.25Å; L1358-V1870 HydrophobicContact CD1-CG2 3.71Å |
| 1359 | F | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -27.4 | 176.9 | -74.3 | -56.8 | 0 | 0 | 0 | 113.7 | L1355 N1356 S1361 F1364 L1365 F1368 L1390 I1393 Y1400 L1834 L1837 V1841 | L1355-F1359 HydrophobicContact CD1-CD2 4.14Å; L1355-F1359 HydrophobicContact CD1-CE2 3.69Å; L1355-F1359 HydrophobicContact CD1-CZ 4.27Å; L1355-F1359 HydrophobicContact CD2-CE2 3.99Å; L1355-F1359 HydrophobicContact CG-CD2 3.91Å; L1355-F1359 HydrophobicContact CG-CE2 3.61Å; L1355-F1359 WeakPolarHBondContact O-CD2 3.24Å; L1355-F1359 PolarHBondContact O-N 2.94Å; N1356-F1359 PolarHBondContact O-N 2.96Å; N1356-F1359 VanDerWaalsContact O-N 3.09Å; F1359-S1361 PolarHBondContact O-N 2.92Å; F1359-F1364 HydrophobicContact CD1-CD1 4.05Å; F1359-F1364 AromaticContact CD1-CE1 3.85Å; F1359-F1364 HydrophobicContact CD1-CE1 3.85Å; F1359-F1364 HydrophobicContact CE1-CD1 4.4Å; F1359-F1364 AromaticContact CE1-CE1 3.82Å; F1359-F1364 HydrophobicContact CE1-CE1 3.82Å; F1359-F1364 HydrophobicContact CG-CE1 4.4Å; F1359-F1364 HydrophobicContact CZ-CE1 4.36Å; F1359-L1365 HydrophobicContact CD1-CD1 3.94Å; F1359-L1365 HydrophobicContact CE1-CD1 4.4Å; F1359-F1368 AromaticContact CE1-CD1 3.65Å; F1359-F1368 HydrophobicContact CE1-CD1 3.65Å; F1359-F1368 AromaticContact CE1-CE1 3.79Å; F1359-F1368 HydrophobicContact CE1-CE1 3.79Å; F1359-F1368 HydrophobicContact CE1-CG 4.03Å; F1359-F1368 HydrophobicContact CE1-CZ 4.31Å; F1359-F1368 HydrophobicContact CZ-CD1 4.35Å; F1359-F1368 HydrophobicContact CZ-CE1 4.07Å; F1359-F1368 HydrophobicContact CZ-CZ 4.2Å; F1359-L1390 HydrophobicContact CD1-CD2 4.42Å; F1359-L1390 HydrophobicContact CE1-CD2 4.23Å; F1359-I1393 HydrophobicContact CB-CD1 3.69Å; F1359-I1393 HydrophobicContact CD1-CD1 4.19Å; F1359-I1393 HydrophobicContact CD2-CD1 3.49Å; F1359-I1393 VanDerWaalsContact CD2-CD1 3.49Å; F1359-I1393 HydrophobicContact CE2-CD1 4.1Å; F1359-I1393 HydrophobicContact CG-CD1 3.53Å; F1359-Y1400 WeakPolarHBondContact O-CE1 3.47Å; F1359-Y1400 PolarHBondContact O-OH 3.22Å; F1359-L1834 HydrophobicContact CD2-CD2 3.7Å; F1359-L1834 HydrophobicContact CE2-CD2 4.09Å; F1359-L1837 HydrophobicContact CE2-CB 4.13Å; F1359-L1837 HydrophobicContact CE2-CD1 4.23Å; F1359-L1837 HydrophobicContact CZ-CB 4.17Å; F1359-L1837 HydrophobicContact CZ-CD1 4.4Å; F1359-V1841 HydrophobicContact CZ-CG2 3.87Å |
| 1360 | M | 91.7 | Very high | 90.7 | Very high | 53 Ų | 53 | 38.2 Ų | 38.2 | 26% | 0.261 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 3.4 | 170.2 | -62.4 | -62.1 | 155.1 | 0 | 0 | 114 | N1356 L1358 L1394 R1397 Y1400 | N1356-M1360 VanDerWaalsContact O-CG 3.3Å; N1356-M1360 WeakPolarHBondContact O-CG 3.26Å; N1356-M1360 PolarHBondContact O-N 2.94Å; N1356-M1360 WeakPolarHBondContact OD1-CE 3.19Å; L1358-M1360 PolarHBondContact O-N 2.81Å; M1360-L1394 HydrophobicContact CE-CD2 4.13Å; M1360-R1397 HydrophobicContact SD-CB 4.47Å; M1360-R1397 HydrophobicContact SD-CG 4.23Å; M1360-Y1400 VanDerWaalsContact C-OH 3.3Å; M1360-Y1400 HydrophobicContact SD-CD1 3.92Å; M1360-Y1400 HydrophobicContact SD-CE1 3.95Å |
| 1361 | S | 89.9 | Confident | 91 | Very high | 27 Ų | 27 | 32.6 Ų | 32.6 | 19% | 0.189 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -99.7 | 115.8 | 167.6 | -174 | 0 | 0 | 0 | 0 | 110.7 | L1358 F1359 T1363 F1364 L1365 Y1400 | L1358-S1361 WeakPolarHBondContact O-CA 3.2Å; L1358-S1361 VanDerWaalsContact O-CB 3.25Å; L1358-S1361 WeakPolarHBondContact O-CB 3.46Å; L1358-S1361 PolarHBondContact O-N 3.39Å; F1359-S1361 PolarHBondContact O-N 2.92Å; S1361-T1363 PolarHBondContact O-N 3.24Å; S1361-T1363 VanDerWaalsContact O-N 3.13Å; S1361-F1364 PolarHBondContact O-N 2.85Å; S1361-L1365 PolarHBondContact O-N 3.11Å; S1361-Y1400 PolarHBondContact N-OH 2.82Å; S1361-Y1400 PolarHBondContact O-OH 2.9Å |
| 1362 | K | 90.7 | Very high | 91.4 | Very high | 72 Ų | 72 | 32.6 Ų | 32.6 | 31% | 0.313 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -49.6 | -43.9 | -178.3 | -180 | 160.3 | -170.8 | 172.4 | 0 | 112.3 | L1366 Y1400 D1403 I1404 T1407 | K1362-L1366 HydrophobicContact CD-CD1 4.44Å; K1362-L1366 HydrophobicContact CG-CD1 3.67Å; K1362-L1366 HydrophobicContact CG-CG 4.34Å; K1362-L1366 WeakPolarHBondContact O-CB 3.04Å; K1362-L1366 WeakPolarHBondContact O-CG 3.43Å; K1362-L1366 PolarHBondContact O-N 3.42Å; K1362-Y1400 WeakPolarHBondContact CA-OH 3.19Å; K1362-Y1400 HydrophobicContact CB-CE2 4.17Å; K1362-Y1400 PolarHBondContact N-OH 3.01Å; K1362-D1403 WeakPolarHBondContact CD-OD2 3.33Å; K1362-D1403 WeakPolarHBondContact CE-OD2 3.27Å; K1362-D1403 IonicContact NZ-OD1 2.63Å; K1362-D1403 PolarHBondContact NZ-OD1 2.92Å; K1362-D1403 IonicContact NZ-OD2 3.92Å; K1362-D1403 PolarHBondContact NZ-OD2 3Å; K1362-I1404 HydrophobicContact CB-CD1 4.15Å; K1362-I1404 HydrophobicContact CD-CD1 4.42Å; K1362-I1404 HydrophobicContact CG-CD1 3.77Å; K1362-T1407 WeakPolarHBondContact CE-OG1 3.45Å; K1362-T1407 PolarHBondContact NZ-OG1 2.99Å; K1362-T1407 VanDerWaalsContact NZ-OG1 3.1Å |
| 1363 | T | 89.9 | Confident | 91.4 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 18% | 0.184 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.3 | -45 | -179.9 | -43 | 0 | 0 | 0 | 0 | 112.6 | S1361 T1367 D1855 F1857 S1858 | S1361-T1363 PolarHBondContact O-N 3.24Å; S1361-T1363 VanDerWaalsContact O-N 3.13Å; T1363-T1367 VanDerWaalsContact O-CB 3.31Å; T1363-T1367 WeakPolarHBondContact O-CB 3.43Å; T1363-T1367 PolarHBondContact O-N 3.44Å; T1363-T1367 PolarHBondContact O-OG1 2.86Å; T1363-D1855 WeakPolarHBondContact CG2-OD2 3.37Å; T1363-F1857 HydrophobicContact CG2-CD1 4Å; T1363-F1857 WeakPolarHBondContact OG1-CD1 3.33Å; T1363-F1857 WeakPolarHBondContact OG1-CE1 3.32Å; T1363-S1858 VanDerWaalsContact CG2-OG 3.27Å; T1363-S1858 WeakPolarHBondContact CG2-OG 3.34Å |
| 1364 | F | 93.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.6 | -48.1 | 178.4 | 179.6 | -91.9 | 0 | 0 | 0 | 111.7 | L1358 F1359 S1361 T1367 F1368 L1848 L1852 L1863 L1867 | L1358-F1364 VanDerWaalsContact C-CD1 3.49Å; L1358-F1364 HydrophobicContact CB-CD1 3.69Å; L1358-F1364 HydrophobicContact CB-CD2 4.1Å; L1358-F1364 HydrophobicContact CB-CE1 3.7Å; L1358-F1364 HydrophobicContact CB-CE2 4.11Å; L1358-F1364 HydrophobicContact CB-CG 3.89Å; L1358-F1364 HydrophobicContact CB-CZ 3.91Å; L1358-F1364 HydrophobicContact CD1-CD2 4.4Å; L1358-F1364 HydrophobicContact CD1-CE2 3.86Å; L1358-F1364 HydrophobicContact CD1-CZ 3.96Å; L1358-F1364 HydrophobicContact CD2-CD2 4Å; L1358-F1364 HydrophobicContact CD2-CE2 4.28Å; L1358-F1364 HydrophobicContact CD2-CG 4.36Å; L1358-F1364 HydrophobicContact CG-CD2 4.41Å; L1358-F1364 HydrophobicContact CG-CE2 4.33Å; L1358-F1364 HydrophobicContact CG-CZ 4.47Å; L1358-F1364 VanDerWaalsContact O-CB 3.32Å; L1358-F1364 WeakPolarHBondContact O-CB 3.4Å; L1358-F1364 WeakPolarHBondContact O-CD1 3.06Å; F1359-F1364 HydrophobicContact CD1-CD1 4.05Å; F1359-F1364 AromaticContact CD1-CE1 3.85Å; F1359-F1364 HydrophobicContact CD1-CE1 3.85Å; F1359-F1364 HydrophobicContact CE1-CD1 4.4Å; F1359-F1364 AromaticContact CE1-CE1 3.82Å; F1359-F1364 HydrophobicContact CE1-CE1 3.82Å; F1359-F1364 HydrophobicContact CG-CE1 4.4Å; F1359-F1364 HydrophobicContact CZ-CE1 4.36Å; S1361-F1364 PolarHBondContact O-N 2.85Å; F1364-T1367 PolarHBondContact O-N 3.01Å; F1364-F1368 WeakPolarHBondContact O-CB 3.37Å; F1364-F1368 PolarHBondContact O-N 3.2Å; F1364-L1848 HydrophobicContact CE2-CD2 4.03Å; F1364-L1848 HydrophobicContact CZ-CD2 3.92Å; F1364-L1852 HydrophobicContact CD2-CD1 3.66Å; F1364-L1852 HydrophobicContact CD2-CD2 4.15Å; F1364-L1852 HydrophobicContact CE2-CD1 3.75Å; F1364-L1863 HydrophobicContact CB-CD1 4.25Å; F1364-L1867 HydrophobicContact CE2-CB 4.41Å; F1364-L1867 HydrophobicContact CE2-CD1 4.12Å; F1364-L1867 HydrophobicContact CE2-CD2 4.33Å; F1364-L1867 HydrophobicContact CZ-CD1 4.18Å |
| 1365 | L | 93.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.9 | -42.4 | -177.5 | 174.6 | 54.2 | 0 | 0 | 0 | 112.4 | F1359 S1361 F1368 V1369 L1390 L1394 Y1400 I1404 | F1359-L1365 HydrophobicContact CD1-CD1 3.94Å; F1359-L1365 HydrophobicContact CE1-CD1 4.4Å; S1361-L1365 PolarHBondContact O-N 3.11Å; L1365-F1368 PolarHBondContact O-N 2.93Å; L1365-V1369 HydrophobicContact CD1-CG2 4.29Å; L1365-V1369 WeakPolarHBondContact O-CG2 3.47Å; L1365-V1369 PolarHBondContact O-N 2.82Å; L1365-L1390 HydrophobicContact CD1-CD1 4.28Å; L1365-L1390 HydrophobicContact CD1-CD2 3.66Å; L1365-L1394 HydrophobicContact CD2-CD1 3.95Å; L1365-L1394 HydrophobicContact CD2-CD2 4.05Å; L1365-Y1400 HydrophobicContact CD2-CE1 4.19Å; L1365-I1404 HydrophobicContact CD2-CB 4.4Å; L1365-I1404 HydrophobicContact CD2-CD1 3.95Å; L1365-I1404 HydrophobicContact CD2-CG1 3.85Å; L1365-I1404 HydrophobicContact CD2-CG2 3.87Å; L1365-I1404 HydrophobicContact CG-CD1 4.32Å; L1365-I1404 HydrophobicContact CG-CG2 4.13Å |
| 1366 | L | 92.6 | Very high | 90.8 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 174.1 | -68.5 | 173.5 | 0 | 0 | 0 | 111.9 | K1362 R1370 I1404 T1407 L1408 | K1362-L1366 HydrophobicContact CD-CD1 4.44Å; K1362-L1366 HydrophobicContact CG-CD1 3.67Å; K1362-L1366 HydrophobicContact CG-CG 4.34Å; K1362-L1366 WeakPolarHBondContact O-CB 3.04Å; K1362-L1366 WeakPolarHBondContact O-CG 3.43Å; K1362-L1366 PolarHBondContact O-N 3.42Å; L1366-R1370 WeakPolarHBondContact O-CB 3.44Å; L1366-R1370 WeakPolarHBondContact O-CD 3.15Å; L1366-R1370 WeakPolarHBondContact O-CG 3.35Å; L1366-R1370 PolarHBondContact O-N 3.07Å; L1366-I1404 HydrophobicContact CD2-CD1 4.41Å; L1366-I1404 HydrophobicContact CD2-CG2 4.41Å; L1366-I1404 HydrophobicContact CG-CD1 4.23Å; L1366-T1407 HydrophobicContact CD1-CG2 3.74Å; L1366-T1407 HydrophobicContact CD2-CG2 3.91Å; L1366-L1408 HydrophobicContact CD2-CD2 3.59Å; L1366-L1408 HydrophobicContact CD2-CG 3.78Å |
| 1367 | T | 91.3 | Very high | 90.4 | Very high | 11 Ų | 11 | 49.9 Ų | 49.9 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -41 | 175.8 | -61.6 | 0 | 0 | 0 | 0 | 111.6 | T1363 F1364 R1370 V1371 L1848 A1851 L1852 | T1363-T1367 VanDerWaalsContact O-CB 3.31Å; T1363-T1367 WeakPolarHBondContact O-CB 3.43Å; T1363-T1367 PolarHBondContact O-N 3.44Å; T1363-T1367 PolarHBondContact O-OG1 2.86Å; F1364-T1367 PolarHBondContact O-N 3.01Å; T1367-R1370 PolarHBondContact O-N 3.21Å; T1367-V1371 HydrophobicContact CG2-CG2 4.4Å; T1367-V1371 VanDerWaalsContact O-CG2 3.31Å; T1367-V1371 WeakPolarHBondContact O-CG2 3.42Å; T1367-V1371 PolarHBondContact O-N 3.22Å; T1367-L1848 HydrophobicContact CG2-CD1 4.14Å; T1367-A1851 HydrophobicContact CG2-CB 3.56Å; T1367-L1852 HydrophobicContact CG2-CD2 3.99Å; T1367-L1852 HydrophobicContact CG2-CG 4.16Å |
| 1368 | F | 93.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 0% | 0.004 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.5 | -51.9 | 173.9 | 176.3 | -109 | 0 | 0 | 0 | 112.2 | F1359 F1364 L1365 R1370 V1371 L1372 V1386 L1390 L1837 V1841 L1848 | F1359-F1368 AromaticContact CE1-CD1 3.65Å; F1359-F1368 HydrophobicContact CE1-CD1 3.65Å; F1359-F1368 AromaticContact CE1-CE1 3.79Å; F1359-F1368 HydrophobicContact CE1-CE1 3.79Å; F1359-F1368 HydrophobicContact CE1-CG 4.03Å; F1359-F1368 HydrophobicContact CE1-CZ 4.31Å; F1359-F1368 HydrophobicContact CZ-CD1 4.35Å; F1359-F1368 HydrophobicContact CZ-CE1 4.07Å; F1359-F1368 HydrophobicContact CZ-CZ 4.2Å; F1364-F1368 WeakPolarHBondContact O-CB 3.37Å; F1364-F1368 PolarHBondContact O-N 3.2Å; L1365-F1368 PolarHBondContact O-N 2.93Å; F1368-R1370 VanDerWaalsContact C-N 3.35Å; F1368-R1370 PolarHBondContact O-N 3.14Å; F1368-V1371 PolarHBondContact O-N 3.03Å; F1368-L1372 HydrophobicContact CD1-CD1 4.15Å; F1368-L1372 HydrophobicContact CE1-CD1 3.63Å; F1368-L1372 HydrophobicContact CE2-CD1 4.02Å; F1368-L1372 HydrophobicContact CE2-CD2 4.48Å; F1368-L1372 HydrophobicContact CE2-CG 4.3Å; F1368-L1372 HydrophobicContact CZ-CD1 3.58Å; F1368-L1372 HydrophobicContact CZ-CG 4.35Å; F1368-L1372 WeakPolarHBondContact O-CG 3.23Å; F1368-L1372 PolarHBondContact O-N 3.46Å; F1368-V1386 HydrophobicContact CE1-CG1 4.26Å; F1368-L1390 HydrophobicContact CE1-CD2 4.26Å; F1368-L1837 HydrophobicContact CE1-CD2 4.44Å; F1368-V1841 HydrophobicContact CD2-CG2 4.11Å; F1368-V1841 HydrophobicContact CE2-CB 4.39Å; F1368-V1841 HydrophobicContact CE2-CG2 3.48Å; F1368-V1841 VanDerWaalsContact CE2-CG2 3.48Å; F1368-V1841 HydrophobicContact CZ-CG2 3.98Å; F1368-L1848 HydrophobicContact CB-CD1 4.19Å; F1368-L1848 HydrophobicContact CD2-CD2 4.04Å |
| 1369 | V | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.3 | -43.7 | 177.4 | 168.8 | 0 | 0 | 0 | 0 | 111.4 | L1365 V1371 L1372 E1373 L1390 L1408 I1433 | L1365-V1369 HydrophobicContact CD1-CG2 4.29Å; L1365-V1369 WeakPolarHBondContact O-CG2 3.47Å; L1365-V1369 PolarHBondContact O-N 2.82Å; V1369-V1371 PolarHBondContact O-N 3.44Å; V1369-L1372 PolarHBondContact O-N 2.96Å; V1369-E1373 HydrophobicContact CG1-CG 4.33Å; V1369-E1373 WeakPolarHBondContact O-CB 3.4Å; V1369-E1373 WeakPolarHBondContact O-CG 3.36Å; V1369-E1373 PolarHBondContact O-N 2.99Å; V1369-L1390 HydrophobicContact CG2-CD1 3.84Å; V1369-L1408 HydrophobicContact CB-CD2 4.12Å; V1369-L1408 HydrophobicContact CG1-CD1 4.1Å; V1369-L1408 HydrophobicContact CG1-CD2 3.59Å; V1369-L1408 HydrophobicContact CG2-CD1 4.24Å; V1369-I1433 HydrophobicContact CG1-CB 4.36Å; V1369-I1433 HydrophobicContact CG1-CD1 4.2Å; V1369-I1433 HydrophobicContact CG2-CD1 4.45Å |
| 1370 | R | 91 | Very high | 89.2 | Confident | 128 Ų | 128 | 50.6 Ų | 50.6 | 48% | 0.483 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60.9 | -43 | 177.1 | -73.4 | 166.3 | -175.5 | 168.8 | -1 | 112.7 | L1366 T1367 F1368 S1374 | L1366-R1370 WeakPolarHBondContact O-CB 3.44Å; L1366-R1370 WeakPolarHBondContact O-CD 3.15Å; L1366-R1370 WeakPolarHBondContact O-CG 3.35Å; L1366-R1370 PolarHBondContact O-N 3.07Å; T1367-R1370 PolarHBondContact O-N 3.21Å; F1368-R1370 VanDerWaalsContact C-N 3.35Å; F1368-R1370 PolarHBondContact O-N 3.14Å; R1370-S1374 VanDerWaalsContact O-CB 3.29Å; R1370-S1374 WeakPolarHBondContact O-CB 3.35Å; R1370-S1374 PolarHBondContact O-N 3.01Å |
| 1371 | V | 91.4 | Very high | 88.7 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 178.1 | 167.5 | 0 | 0 | 0 | 0 | 110.3 | T1367 F1368 V1369 S1374 Q1847 L1848 A1851 | T1367-V1371 HydrophobicContact CG2-CG2 4.4Å; T1367-V1371 VanDerWaalsContact O-CG2 3.31Å; T1367-V1371 WeakPolarHBondContact O-CG2 3.42Å; T1367-V1371 PolarHBondContact O-N 3.22Å; F1368-V1371 PolarHBondContact O-N 3.03Å; V1369-V1371 PolarHBondContact O-N 3.44Å; V1371-S1374 PolarHBondContact O-N 3.28Å; V1371-S1374 PolarHBondContact O-OG 3.25Å; V1371-Q1847 HydrophobicContact CG1-CB 3.7Å; V1371-L1848 HydrophobicContact CG2-CD1 4.4Å; V1371-A1851 HydrophobicContact CG2-CB 3.82Å |
| 1372 | L | 92.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.3 | -49.7 | 177.3 | -66.4 | -177.3 | 0 | 0 | 0 | 112.6 | F1368 V1369 S1374 N1375 F1378 V1386 I1433 Y1844 | F1368-L1372 HydrophobicContact CD1-CD1 4.15Å; F1368-L1372 HydrophobicContact CE1-CD1 3.63Å; F1368-L1372 HydrophobicContact CE2-CD1 4.02Å; F1368-L1372 HydrophobicContact CE2-CD2 4.48Å; F1368-L1372 HydrophobicContact CE2-CG 4.3Å; F1368-L1372 HydrophobicContact CZ-CD1 3.58Å; F1368-L1372 HydrophobicContact CZ-CG 4.35Å; F1368-L1372 WeakPolarHBondContact O-CG 3.23Å; F1368-L1372 PolarHBondContact O-N 3.46Å; V1369-L1372 PolarHBondContact O-N 2.96Å; L1372-S1374 VanDerWaalsContact C-N 3.29Å; L1372-S1374 PolarHBondContact O-N 3.03Å; L1372-N1375 WeakPolarHBondContact O-CB 3.47Å; L1372-N1375 PolarHBondContact O-N 2.83Å; L1372-N1375 VanDerWaalsContact O-N 3.12Å; L1372-F1378 HydrophobicContact CB-CD1 4.19Å; L1372-F1378 HydrophobicContact CB-CE1 4Å; L1372-F1378 HydrophobicContact CB-CE2 4.48Å; L1372-F1378 HydrophobicContact CB-CZ 4.16Å; L1372-F1378 HydrophobicContact CD1-CE2 4.36Å; L1372-F1378 HydrophobicContact CD1-CZ 4.07Å; L1372-F1378 HydrophobicContact CD2-CE2 4.44Å; L1372-F1378 WeakPolarHBondContact O-CB 3.48Å; L1372-V1386 HydrophobicContact CD1-CG1 3.82Å; L1372-V1386 HydrophobicContact CD1-CG2 4.35Å; L1372-I1433 HydrophobicContact CB-CD1 4.13Å; L1372-I1433 HydrophobicContact CD1-CD1 4.04Å; L1372-Y1844 HydrophobicContact CD2-CD1 4.47Å; L1372-Y1844 HydrophobicContact CD2-CD2 3.15Å; L1372-Y1844 HydrophobicContact CD2-CE2 3.42Å; L1372-Y1844 VanDerWaalsContact CD2-CE2 3.42Å; L1372-Y1844 HydrophobicContact CD2-CG 3.75Å |
| 1373 | E | 88.7 | Confident | 88.3 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -69.3 | -24 | -179.2 | -70.5 | -168.1 | 154.2 | 0 | 0 | 113.6 | V1369 N1375 S1432 I1433 | V1369-E1373 HydrophobicContact CG1-CG 4.33Å; V1369-E1373 WeakPolarHBondContact O-CB 3.4Å; V1369-E1373 WeakPolarHBondContact O-CG 3.36Å; V1369-E1373 PolarHBondContact O-N 2.99Å; E1373-N1375 PolarHBondContact O-N 2.95Å; E1373-S1432 WeakPolarHBondContact OE1-CA 3.36Å; E1373-S1432 WeakPolarHBondContact OE1-CB 3.39Å; E1373-I1433 HydrophobicContact CG-CD1 4.07Å; E1373-I1433 HydrophobicContact CG-CG1 3.93Å; E1373-I1433 PolarHBondContact OE1-N 2.98Å |
| 1374 | S | 87.4 | Confident | 88 | Confident | 87 Ų | 87 | 55.6 Ų | 55.6 | 61% | 0.608 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.9 | -20.9 | 172.6 | 78.4 | 0 | 0 | 0 | 0 | 113 | R1370 V1371 L1372 | R1370-S1374 VanDerWaalsContact O-CB 3.29Å; R1370-S1374 WeakPolarHBondContact O-CB 3.35Å; R1370-S1374 PolarHBondContact O-N 3.01Å; V1371-S1374 PolarHBondContact O-N 3.28Å; V1371-S1374 PolarHBondContact O-OG 3.25Å; L1372-S1374 VanDerWaalsContact C-N 3.29Å; L1372-S1374 PolarHBondContact O-N 3.03Å |
| 1375 | N | 86.9 | Confident | 87.6 | Confident | 27 Ų | 27 | 57 Ų | 57 | 14% | 0.144 | 28% | 0.276 | C | S | . | . | trans | -85.2 | 121.3 | -174.1 | -159.1 | -57.4 | 0 | 0 | 0 | 112.6 | L1372 E1373 Y1377 F1378 Y1844 Q1847 | L1372-N1375 WeakPolarHBondContact O-CB 3.47Å; L1372-N1375 PolarHBondContact O-N 2.83Å; L1372-N1375 VanDerWaalsContact O-N 3.12Å; E1373-N1375 PolarHBondContact O-N 2.95Å; N1375-Y1377 PolarHBondContact O-N 2.87Å; N1375-Y1377 WeakPolarHBondContact OD1-CD2 3.32Å; N1375-Y1377 PolarHBondContact OD1-N 2.85Å; N1375-F1378 HydrophobicContact CB-CB 4.41Å; N1375-F1378 WeakPolarHBondContact O-CB 3.48Å; N1375-F1378 PolarHBondContact O-N 2.89Å; N1375-Y1844 HydrophobicContact CB-CE1 4.03Å; N1375-Y1844 WeakPolarHBondContact ND2-CE1 3.29Å; N1375-Q1847 PolarHBondContact ND2-OE1 3.32Å | ||
| 1376 | K | 83.9 | Confident | 87.5 | Confident | 194 Ų | 194 | 57 Ų | 57 | 84% | 0.843 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -22.7 | -179.7 | -67.5 | -179.1 | 178.5 | 176.6 | 0 | 114.3 | ||
| 1377 | Y | 83.4 | Confident | 87.4 | Confident | 195 Ų | 195 | 56.3 Ų | 56.3 | 77% | 0.765 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -7.8 | -179.4 | -59.3 | -70.1 | 0 | 0 | 0 | 113.6 | N1375 L1379 | N1375-Y1377 PolarHBondContact O-N 2.87Å; N1375-Y1377 WeakPolarHBondContact OD1-CD2 3.32Å; N1375-Y1377 PolarHBondContact OD1-N 2.85Å; Y1377-L1379 PolarHBondContact O-N 2.87Å |
| 1378 | F | 86.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 27% | 0.27 | C | S | . | . | trans | -76.9 | 100.5 | 177.9 | -171.2 | -120.1 | 0 | 0 | 0 | 110 | L1372 N1375 D1382 R1383 V1386 I1433 Y1840 | L1372-F1378 HydrophobicContact CB-CD1 4.19Å; L1372-F1378 HydrophobicContact CB-CE1 4Å; L1372-F1378 HydrophobicContact CB-CE2 4.48Å; L1372-F1378 HydrophobicContact CB-CZ 4.16Å; L1372-F1378 HydrophobicContact CD1-CE2 4.36Å; L1372-F1378 HydrophobicContact CD1-CZ 4.07Å; L1372-F1378 HydrophobicContact CD2-CE2 4.44Å; L1372-F1378 WeakPolarHBondContact O-CB 3.48Å; N1375-F1378 HydrophobicContact CB-CB 4.41Å; N1375-F1378 WeakPolarHBondContact O-CB 3.48Å; N1375-F1378 PolarHBondContact O-N 2.89Å; F1378-D1382 HydrophobicContact CD2-CB 3.57Å; F1378-D1382 HydrophobicContact CE2-CB 3.42Å; F1378-D1382 VanDerWaalsContact CE2-CB 3.42Å; F1378-D1382 HydrophobicContact CG-CB 4.37Å; F1378-D1382 HydrophobicContact CZ-CB 4.11Å; F1378-R1383 HydrophobicContact CD1-CG 3.53Å; F1378-R1383 HydrophobicContact CE1-CB 4.12Å; F1378-R1383 HydrophobicContact CE1-CG 3.32Å; F1378-R1383 HydrophobicContact CZ-CG 4.2Å; F1378-R1383 VanDerWaalsContact O-CZ 3.28Å; F1378-R1383 PolarHBondContact O-NE 3.34Å; F1378-R1383 PolarHBondContact O-NH2 2.91Å; F1378-V1386 HydrophobicContact CE2-CG2 3.87Å; F1378-V1386 HydrophobicContact CZ-CB 3.97Å; F1378-V1386 HydrophobicContact CZ-CG2 3.72Å; F1378-I1433 HydrophobicContact CE1-CD1 3.62Å; F1378-I1433 HydrophobicContact CE1-CG1 3.78Å; F1378-I1433 HydrophobicContact CZ-CD1 3.93Å; F1378-I1433 HydrophobicContact CZ-CG1 4.34Å; F1378-Y1840 HydrophobicContact CE2-CD1 4.11Å; F1378-Y1840 HydrophobicContact CE2-CE1 4.01Å | ||
| 1379 | L | 83.8 | Confident | 87.1 | Confident | 103 Ų | 103 | 56 Ų | 56 | 54% | 0.539 | 27% | 0.271 | S | S | . | . | trans | -76 | 166.5 | -168.9 | -59.8 | 175.5 | 0 | 0 | 0 | 112.5 | Y1377 K1381 D1382 R1383 | Y1377-L1379 PolarHBondContact O-N 2.87Å; L1379-K1381 PolarHBondContact O-N 3.27Å; L1379-D1382 VanDerWaalsContact CB-OD2 3.3Å; L1379-D1382 WeakPolarHBondContact CB-OD2 3.33Å; L1379-D1382 PolarHBondContact N-OD2 3.19Å; L1379-D1382 PolarHBondContact O-N 3.26Å; L1379-R1383 WeakPolarHBondContact O-CG 3.49Å; L1379-R1383 PolarHBondContact O-N 2.81Å | ||
| 1380 | S | 78.6 | Confident | 87.2 | Confident | 47 Ų | 47 | 56 Ų | 56 | 33% | 0.329 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.5 | -31.4 | 174.6 | 54.3 | 0 | 0 | 0 | 0 | 113.2 | V1384 | S1380-V1384 WeakPolarHBondContact O-CB 3.37Å; S1380-V1384 VanDerWaalsContact O-CG2 3.27Å; S1380-V1384 WeakPolarHBondContact O-CG2 3.32Å; S1380-V1384 PolarHBondContact O-N 2.83Å |
| 1381 | K | 81.8 | Confident | 87.2 | Confident | 133 Ų | 133 | 49.9 Ų | 49.9 | 58% | 0.578 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65 | -42 | 171.9 | -70.3 | -170.7 | 174.4 | -169.8 | 0 | 112.1 | L1379 V1384 A1385 | L1379-K1381 PolarHBondContact O-N 3.27Å; K1381-V1384 PolarHBondContact O-N 2.66Å; K1381-A1385 WeakPolarHBondContact O-CB 3.46Å; K1381-A1385 PolarHBondContact O-N 2.88Å |
| 1382 | D | 85.2 | Confident | 87.1 | Confident | 46 Ų | 46 | 49.3 Ų | 49.3 | 25% | 0.246 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.9 | -38.8 | -178.7 | -44.7 | -31.4 | 0 | 0 | 0 | 110.3 | F1378 L1379 V1384 A1385 V1386 Y1840 | F1378-D1382 HydrophobicContact CD2-CB 3.57Å; F1378-D1382 HydrophobicContact CE2-CB 3.42Å; F1378-D1382 VanDerWaalsContact CE2-CB 3.42Å; F1378-D1382 HydrophobicContact CG-CB 4.37Å; F1378-D1382 HydrophobicContact CZ-CB 4.11Å; L1379-D1382 VanDerWaalsContact CB-OD2 3.3Å; L1379-D1382 WeakPolarHBondContact CB-OD2 3.33Å; L1379-D1382 PolarHBondContact N-OD2 3.19Å; L1379-D1382 PolarHBondContact O-N 3.26Å; D1382-V1384 VanDerWaalsContact C-N 3.33Å; D1382-V1384 PolarHBondContact O-N 3.46Å; D1382-A1385 PolarHBondContact O-N 3.41Å; D1382-V1386 WeakPolarHBondContact O-CB 3.47Å; D1382-V1386 WeakPolarHBondContact O-CG2 3.25Å; D1382-V1386 PolarHBondContact O-N 3.07Å; D1382-Y1840 HydrophobicContact CB-CE1 4.37Å |
| 1383 | R | 87.4 | Confident | 87 | Confident | 61 Ų | 61 | 49.4 Ų | 49.4 | 23% | 0.23 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 170.4 | -66.3 | 168.9 | -149 | -178.3 | 2.7 | 112 | F1378 L1379 G1387 E1431 I1433 | F1378-R1383 HydrophobicContact CD1-CG 3.53Å; F1378-R1383 HydrophobicContact CE1-CB 4.12Å; F1378-R1383 HydrophobicContact CE1-CG 3.32Å; F1378-R1383 HydrophobicContact CZ-CG 4.2Å; F1378-R1383 VanDerWaalsContact O-CZ 3.28Å; F1378-R1383 PolarHBondContact O-NE 3.34Å; F1378-R1383 PolarHBondContact O-NH2 2.91Å; L1379-R1383 WeakPolarHBondContact O-CG 3.49Å; L1379-R1383 PolarHBondContact O-N 2.81Å; R1383-G1387 PolarHBondContact O-N 2.99Å; R1383-E1431 WeakPolarHBondContact CD-O 3.35Å; R1383-E1431 PolarHBondContact NH1-O 2.93Å; R1383-I1433 HydrophobicContact CB-CG1 4.47Å; R1383-I1433 HydrophobicContact CG-CG1 4.42Å |
| 1384 | V | 83.2 | Confident | 87.1 | Confident | 47 Ų | 47 | 46.6 Ų | 46.6 | 29% | 0.285 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 176.2 | 166.4 | 0 | 0 | 0 | 0 | 111.4 | S1380 K1381 D1382 S1388 R1436 | S1380-V1384 WeakPolarHBondContact O-CB 3.37Å; S1380-V1384 VanDerWaalsContact O-CG2 3.27Å; S1380-V1384 WeakPolarHBondContact O-CG2 3.32Å; S1380-V1384 PolarHBondContact O-N 2.83Å; K1381-V1384 PolarHBondContact O-N 2.66Å; D1382-V1384 VanDerWaalsContact C-N 3.33Å; D1382-V1384 PolarHBondContact O-N 3.46Å; V1384-S1388 WeakPolarHBondContact O-CB 3.2Å; V1384-S1388 PolarHBondContact O-N 2.79Å; V1384-S1388 PolarHBondContact O-OG 2.69Å; V1384-R1436 WeakPolarHBondContact O-CG 3.42Å |
| 1385 | A | 84.8 | Confident | 87.2 | Confident | 30 Ų | 30 | 42.6 Ų | 42.6 | 25% | 0.248 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.8 | -53 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1381 D1382 G1387 S1388 L1389 | K1381-A1385 WeakPolarHBondContact O-CB 3.46Å; K1381-A1385 PolarHBondContact O-N 2.88Å; D1382-A1385 PolarHBondContact O-N 3.41Å; A1385-G1387 PolarHBondContact O-N 3.03Å; A1385-S1388 PolarHBondContact O-N 3.5Å; A1385-L1389 WeakPolarHBondContact O-CB 3.45Å; A1385-L1389 VanDerWaalsContact O-CG 3.3Å; A1385-L1389 WeakPolarHBondContact O-CG 3.32Å; A1385-L1389 PolarHBondContact O-N 3.22Å |
| 1386 | V | 91 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -42.4 | 178.2 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | F1368 L1372 F1378 D1382 S1388 L1389 L1390 I1433 L1837 Y1840 | F1368-V1386 HydrophobicContact CE1-CG1 4.26Å; L1372-V1386 HydrophobicContact CD1-CG1 3.82Å; L1372-V1386 HydrophobicContact CD1-CG2 4.35Å; F1378-V1386 HydrophobicContact CE2-CG2 3.87Å; F1378-V1386 HydrophobicContact CZ-CB 3.97Å; F1378-V1386 HydrophobicContact CZ-CG2 3.72Å; D1382-V1386 WeakPolarHBondContact O-CB 3.47Å; D1382-V1386 WeakPolarHBondContact O-CG2 3.25Å; D1382-V1386 PolarHBondContact O-N 3.07Å; V1386-S1388 VanDerWaalsContact C-N 3.35Å; V1386-S1388 PolarHBondContact O-N 3.25Å; V1386-L1389 PolarHBondContact O-N 3.19Å; V1386-L1390 HydrophobicContact CG1-CD1 3.85Å; V1386-L1390 HydrophobicContact CG1-CG 4.02Å; V1386-L1390 WeakPolarHBondContact O-CB 3.32Å; V1386-L1390 VanDerWaalsContact O-CG 3.3Å; V1386-L1390 WeakPolarHBondContact O-CG 3.21Å; V1386-L1390 PolarHBondContact O-N 3.1Å; V1386-I1433 HydrophobicContact CG1-CD1 4.02Å; V1386-L1837 HydrophobicContact CG1-CD2 4.06Å; V1386-Y1840 HydrophobicContact CG2-CD1 3.66Å; V1386-Y1840 HydrophobicContact CG2-CD2 3.75Å; V1386-Y1840 HydrophobicContact CG2-CE1 3.52Å; V1386-Y1840 HydrophobicContact CG2-CE2 3.62Å; V1386-Y1840 HydrophobicContact CG2-CG 3.77Å; V1386-Y1840 VanDerWaalsContact CG2-CZ 3.49Å |
| 1387 | G | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1383 A1385 M1391 | R1383-G1387 PolarHBondContact O-N 2.99Å; A1385-G1387 PolarHBondContact O-N 3.03Å; G1387-M1391 WeakPolarHBondContact O-CG 3.4Å; G1387-M1391 PolarHBondContact O-N 2.92Å |
| 1388 | S | 89.5 | Confident | 88 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.007 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.9 | -40 | 174.6 | -78.8 | 0 | 0 | 0 | 0 | 113.1 | L1326 V1384 A1385 V1386 M1391 V1392 R1436 | L1326-S1388 PolarHBondContact O-OG 3.26Å; V1384-S1388 WeakPolarHBondContact O-CB 3.2Å; V1384-S1388 PolarHBondContact O-N 2.79Å; V1384-S1388 PolarHBondContact O-OG 2.69Å; A1385-S1388 PolarHBondContact O-N 3.5Å; V1386-S1388 VanDerWaalsContact C-N 3.35Å; V1386-S1388 PolarHBondContact O-N 3.25Å; S1388-M1391 PolarHBondContact O-N 3Å; S1388-V1392 WeakPolarHBondContact O-CG2 3.2Å; S1388-V1392 PolarHBondContact O-N 2.65Å; S1388-V1392 VanDerWaalsContact O-N 3.09Å; S1388-R1436 PolarHBondContact OG-NE 2.83Å; S1388-R1436 PolarHBondContact OG-NH2 3.45Å; S1388-R1436 VanDerWaalsContact OG-NH2 3.13Å |
| 1389 | L | 90.4 | Very high | 88.3 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.7 | -40.3 | 178.2 | -72.1 | 166.5 | 0 | 0 | 0 | 113 | F1327 V1335 A1385 V1386 M1391 V1392 I1393 A1833 E1836 L1837 Y1840 | F1327-L1389 HydrophobicContact CE1-CD2 4.39Å; F1327-L1389 HydrophobicContact CE1-CG 4.42Å; F1327-L1389 HydrophobicContact CZ-CD2 4.11Å; F1327-L1389 HydrophobicContact CZ-CG 4.39Å; V1335-L1389 HydrophobicContact CG2-CD2 4.32Å; A1385-L1389 WeakPolarHBondContact O-CB 3.45Å; A1385-L1389 VanDerWaalsContact O-CG 3.3Å; A1385-L1389 WeakPolarHBondContact O-CG 3.32Å; A1385-L1389 PolarHBondContact O-N 3.22Å; V1386-L1389 PolarHBondContact O-N 3.19Å; L1389-M1391 VanDerWaalsContact C-N 3.28Å; L1389-M1391 PolarHBondContact O-N 3.23Å; L1389-V1392 PolarHBondContact O-N 2.87Å; L1389-V1392 VanDerWaalsContact O-N 3.17Å; L1389-I1393 PolarHBondContact O-N 2.84Å; L1389-A1833 HydrophobicContact CD2-CB 4.07Å; L1389-E1836 HydrophobicContact CD1-CB 3.69Å; L1389-E1836 HydrophobicContact CD2-CB 3.87Å; L1389-E1836 HydrophobicContact CD2-CG 4.44Å; L1389-E1836 HydrophobicContact CG-CB 4.45Å; L1389-L1837 HydrophobicContact CB-CD1 4.18Å; L1389-L1837 HydrophobicContact CB-CD2 3.76Å; L1389-L1837 HydrophobicContact CB-CG 3.78Å; L1389-L1837 HydrophobicContact CD1-CD2 4.4Å; L1389-L1837 HydrophobicContact CD1-CG 4.44Å; L1389-Y1840 HydrophobicContact CD1-CE2 4.33Å |
| 1390 | L | 93.3 | Very high | 88.7 | Confident | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.8 | -42.8 | 173.3 | -75.7 | 177.2 | 0 | 0 | 0 | 110.6 | F1359 L1365 F1368 V1369 V1386 V1392 I1393 L1394 I1433 M1437 L1837 | F1359-L1390 HydrophobicContact CD1-CD2 4.42Å; F1359-L1390 HydrophobicContact CE1-CD2 4.23Å; L1365-L1390 HydrophobicContact CD1-CD1 4.28Å; L1365-L1390 HydrophobicContact CD1-CD2 3.66Å; F1368-L1390 HydrophobicContact CE1-CD2 4.26Å; V1369-L1390 HydrophobicContact CG2-CD1 3.84Å; V1386-L1390 HydrophobicContact CG1-CD1 3.85Å; V1386-L1390 HydrophobicContact CG1-CG 4.02Å; V1386-L1390 WeakPolarHBondContact O-CB 3.32Å; V1386-L1390 VanDerWaalsContact O-CG 3.3Å; V1386-L1390 WeakPolarHBondContact O-CG 3.21Å; V1386-L1390 PolarHBondContact O-N 3.1Å; L1390-V1392 VanDerWaalsContact C-N 3.33Å; L1390-V1392 PolarHBondContact O-N 2.81Å; L1390-I1393 HydrophobicContact CD2-CD1 4.17Å; L1390-I1393 VanDerWaalsContact O-CG1 3.28Å; L1390-I1393 WeakPolarHBondContact O-CG1 3.49Å; L1390-I1393 PolarHBondContact O-N 3.29Å; L1390-L1394 WeakPolarHBondContact O-CB 3.48Å; L1390-L1394 WeakPolarHBondContact O-CD1 3.34Å; L1390-L1394 WeakPolarHBondContact O-CG 3.49Å; L1390-L1394 PolarHBondContact O-N 3.49Å; L1390-I1433 HydrophobicContact CD1-CG2 3.9Å; L1390-M1437 HydrophobicContact CB-SD 4.42Å; L1390-M1437 HydrophobicContact CD1-SD 4.14Å; L1390-L1837 HydrophobicContact CD2-CD1 4.03Å; L1390-L1837 HydrophobicContact CD2-CD2 4.07Å; L1390-L1837 HydrophobicContact CG-CD2 4.16Å |
| 1391 | M | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.4 | -35.1 | 176.5 | -67.3 | -66 | -49.6 | 0 | 0 | 112.5 | G1387 S1388 L1389 L1394 H1395 M1398 C1401 M1437 A1440 W1441 F1444 | G1387-M1391 WeakPolarHBondContact O-CG 3.4Å; G1387-M1391 PolarHBondContact O-N 2.92Å; S1388-M1391 PolarHBondContact O-N 3Å; L1389-M1391 VanDerWaalsContact C-N 3.28Å; L1389-M1391 PolarHBondContact O-N 3.23Å; M1391-L1394 PolarHBondContact O-N 3.45Å; M1391-H1395 PolarHBondContact O-N 2.78Å; M1391-H1395 VanDerWaalsContact O-N 3.13Å; M1391-M1398 HydrophobicContact CE-SD 4.38Å; M1391-C1401 VanDerWaalsContact CE-SG 3.58Å; M1391-M1437 HydrophobicContact CG-CB 4.07Å; M1391-M1437 HydrophobicContact CG-CG 3.9Å; M1391-M1437 HydrophobicContact SD-CB 3.7Å; M1391-M1437 HydrophobicContact SD-CE 3.8Å; M1391-M1437 HydrophobicContact SD-CG 3.93Å; M1391-A1440 HydrophobicContact CB-CB 3.99Å; M1391-A1440 HydrophobicContact CE-CB 4.35Å; M1391-A1440 HydrophobicContact CG-CB 3.64Å; M1391-W1441 HydrophobicContact CE-CB 3.81Å; M1391-F1444 HydrophobicContact CB-CE2 3.88Å; M1391-F1444 HydrophobicContact CB-CZ 4.35Å; M1391-F1444 HydrophobicContact CE-CD2 3.75Å; M1391-F1444 HydrophobicContact CE-CE2 3.68Å; M1391-F1444 WeakPolarHBondContact O-CE2 3.38Å |
| 1392 | V | 88.5 | Confident | 90 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 172.3 | 175.6 | 0 | 0 | 0 | 0 | 111.9 | L1326 F1327 V1335 S1388 L1389 L1390 L1394 H1395 L1828 A1833 | L1326-V1392 HydrophobicContact CD1-CG2 3.88Å; F1327-V1392 HydrophobicContact CE2-CG2 4.06Å; F1327-V1392 HydrophobicContact CZ-CG2 4.3Å; V1335-V1392 HydrophobicContact CG1-CG1 4.26Å; S1388-V1392 WeakPolarHBondContact O-CG2 3.2Å; S1388-V1392 PolarHBondContact O-N 2.65Å; S1388-V1392 VanDerWaalsContact O-N 3.09Å; L1389-V1392 PolarHBondContact O-N 2.87Å; L1389-V1392 VanDerWaalsContact O-N 3.17Å; L1390-V1392 VanDerWaalsContact C-N 3.33Å; L1390-V1392 PolarHBondContact O-N 2.81Å; V1392-L1394 VanDerWaalsContact C-N 3.27Å; V1392-L1394 PolarHBondContact O-N 3.47Å; V1392-H1395 PolarHBondContact O-ND1 3Å; V1392-L1828 HydrophobicContact CG1-CB 4.04Å; V1392-L1828 HydrophobicContact CG1-CD1 4.28Å; V1392-L1828 HydrophobicContact CG2-CD1 4.4Å; V1392-A1833 HydrophobicContact CB-CB 4.01Å; V1392-A1833 HydrophobicContact CG1-CB 3.59Å |
| 1393 | I | 90.8 | Very high | 90.4 | Very high | 2 Ų | 2 | 22.4 Ų | 22.4 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -73.6 | -18.7 | -179.9 | 64.7 | 154.5 | 0 | 0 | 0 | 113.7 | F1359 L1389 L1390 I1830 A1833 L1834 L1837 | F1359-I1393 HydrophobicContact CB-CD1 3.69Å; F1359-I1393 HydrophobicContact CD1-CD1 4.19Å; F1359-I1393 HydrophobicContact CD2-CD1 3.49Å; F1359-I1393 VanDerWaalsContact CD2-CD1 3.49Å; F1359-I1393 HydrophobicContact CE2-CD1 4.1Å; F1359-I1393 HydrophobicContact CG-CD1 3.53Å; L1389-I1393 PolarHBondContact O-N 2.84Å; L1390-I1393 HydrophobicContact CD2-CD1 4.17Å; L1390-I1393 VanDerWaalsContact O-CG1 3.28Å; L1390-I1393 WeakPolarHBondContact O-CG1 3.49Å; L1390-I1393 PolarHBondContact O-N 3.29Å; I1393-I1830 HydrophobicContact CB-CG2 4.44Å; I1393-I1830 HydrophobicContact CG2-CG2 4.28Å; I1393-A1833 HydrophobicContact CG2-CB 3.62Å; I1393-L1834 HydrophobicContact CB-CD2 4.37Å; I1393-L1834 HydrophobicContact CD1-CD2 4.1Å; I1393-L1834 HydrophobicContact CG2-CD2 3.92Å; I1393-L1834 HydrophobicContact CG2-CG 3.77Å; I1393-L1837 HydrophobicContact CB-CD1 4.39Å; I1393-L1837 HydrophobicContact CD1-CD1 3.5Å; I1393-L1837 VanDerWaalsContact CD1-CD1 3.5Å; I1393-L1837 HydrophobicContact CG1-CD1 3.72Å; I1393-L1837 HydrophobicContact CG2-CD1 3.76Å |
| 1394 | L | 92 | Very high | 90.7 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -97.8 | -4.2 | 179.6 | -62.4 | 170.7 | 0 | 0 | 0 | 113.6 | M1360 L1365 L1390 M1391 V1392 E1396 R1397 Y1400 C1401 M1437 | M1360-L1394 HydrophobicContact CE-CD2 4.13Å; L1365-L1394 HydrophobicContact CD2-CD1 3.95Å; L1365-L1394 HydrophobicContact CD2-CD2 4.05Å; L1390-L1394 WeakPolarHBondContact O-CB 3.48Å; L1390-L1394 WeakPolarHBondContact O-CD1 3.34Å; L1390-L1394 WeakPolarHBondContact O-CG 3.49Å; L1390-L1394 PolarHBondContact O-N 3.49Å; M1391-L1394 PolarHBondContact O-N 3.45Å; V1392-L1394 VanDerWaalsContact C-N 3.27Å; V1392-L1394 PolarHBondContact O-N 3.47Å; L1394-E1396 VanDerWaalsContact C-N 3.32Å; L1394-E1396 PolarHBondContact O-N 2.8Å; L1394-R1397 CarbonylContact O-C 3.53Å; L1394-R1397 WeakPolarHBondContact O-CA 3.48Å; L1394-R1397 PolarHBondContact O-N 2.8Å; L1394-Y1400 HydrophobicContact CD2-CD1 3.77Å; L1394-Y1400 HydrophobicContact CD2-CE1 3.65Å; L1394-C1401 HydrophobicContact CB-CB 3.81Å; L1394-C1401 VanDerWaalsContact CB-SG 3.6Å; L1394-C1401 HydrophobicContact CD1-CB 4.44Å; L1394-M1437 HydrophobicContact CD1-CE 4.01Å |
| 1395 | H | 88.9 | Confident | 91.3 | Very high | 3 Ų | 3 | 17.2 Ų | 17.2 | 1% | 0.014 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -66 | -27.2 | -173.1 | 87.3 | -75.9 | 0 | 0 | 0 | 114.6 | M1391 V1392 R1397 M1398 F1444 S1821 H1824 | M1391-H1395 PolarHBondContact O-N 2.78Å; M1391-H1395 VanDerWaalsContact O-N 3.13Å; V1392-H1395 PolarHBondContact O-ND1 3Å; H1395-R1397 PolarHBondContact O-N 3.21Å; H1395-M1398 WeakPolarHBondContact O-CG 3.13Å; H1395-F1444 HydrophobicContact CB-CE2 4.05Å; H1395-F1444 HydrophobicContact CB-CZ 3.95Å; H1395-S1821 PolarHBondContact O-OG 3.11Å; H1395-H1824 PolarHBondContact NE2-O 3.22Å |
| 1396 | E | 88 | Confident | 91.7 | Very high | 66 Ų | 66 | 18 Ų | 18 | 31% | 0.308 | 8% | 0.082 | S | C | . | . | G | 310 helix | trans | -76.7 | -2.9 | 173.6 | -69.9 | -176 | 165.7 | 0 | 0 | 113.1 | L1394 L1825 S1826 I1830 | L1394-E1396 VanDerWaalsContact C-N 3.32Å; L1394-E1396 PolarHBondContact O-N 2.8Å; E1396-L1825 HydrophobicContact CB-CD1 4.03Å; E1396-L1825 HydrophobicContact CG-CD1 3.81Å; E1396-L1825 HydrophobicContact CG-CG 4.21Å; E1396-S1826 PolarHBondContact OE1-N 2.98Å; E1396-S1826 VanDerWaalsContact OE1-N 3.11Å; E1396-I1830 HydrophobicContact CB-CD1 4.41Å; E1396-I1830 HydrophobicContact CG-CD1 3.73Å; E1396-I1830 VanDerWaalsContact OE2-CD1 3.25Å; E1396-I1830 WeakPolarHBondContact OE2-CD1 3.41Å |
| 1397 | R | 90.6 | Very high | 91.8 | Very high | 120 Ų | 120 | 19.9 Ų | 19.9 | 45% | 0.453 | 9% | 0.093 | S | C | . | . | G | 310 helix | trans | -142.5 | 52.9 | -173.9 | -75.1 | -80.1 | -70.8 | -128.7 | -9.5 | 109.7 | M1360 L1394 H1395 D1399 Y1400 C1401 | M1360-R1397 HydrophobicContact SD-CB 4.47Å; M1360-R1397 HydrophobicContact SD-CG 4.23Å; L1394-R1397 CarbonylContact O-C 3.53Å; L1394-R1397 WeakPolarHBondContact O-CA 3.48Å; L1394-R1397 PolarHBondContact O-N 2.8Å; H1395-R1397 PolarHBondContact O-N 3.21Å; R1397-D1399 WeakPolarHBondContact CA-OD1 3.45Å; R1397-D1399 PolarHBondContact O-N 2.92Å; R1397-Y1400 PolarHBondContact O-N 3.01Å; R1397-Y1400 VanDerWaalsContact O-N 3.12Å; R1397-C1401 WeakPolarHBondContact O-CB 3.27Å; R1397-C1401 PolarHBondContact O-N 2.95Å |
| 1398 | M | 91.9 | Very high | 92 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.4 | -22.6 | -174.9 | -74.5 | -71.3 | -74.7 | 0 | 0 | 113.6 | M1391 H1395 C1401 T1402 W1441 F1444 L1445 L1817 S1821 | M1391-M1398 HydrophobicContact CE-SD 4.38Å; H1395-M1398 WeakPolarHBondContact O-CG 3.13Å; M1398-C1401 HydrophobicContact SD-CB 4.09Å; M1398-T1402 VanDerWaalsContact O-CB 3.32Å; M1398-T1402 WeakPolarHBondContact O-CB 3.34Å; M1398-T1402 PolarHBondContact O-N 3.37Å; M1398-T1402 PolarHBondContact O-OG1 3.19Å; M1398-W1441 HydrophobicContact CE-CG 4.34Å; M1398-F1444 HydrophobicContact CE-CB 4.05Å; M1398-F1444 HydrophobicContact CE-CD2 3.84Å; M1398-F1444 HydrophobicContact CE-CG 4.42Å; M1398-F1444 HydrophobicContact SD-CD2 3.85Å; M1398-F1444 HydrophobicContact SD-CE2 4.33Å; M1398-L1445 HydrophobicContact CE-CD1 4.2Å; M1398-L1445 HydrophobicContact CE-CD2 3.81Å; M1398-L1445 HydrophobicContact CE-CG 3.89Å; M1398-L1817 HydrophobicContact CB-CB 4.07Å; M1398-L1817 HydrophobicContact CB-CD2 3.91Å; M1398-L1817 HydrophobicContact CE-CD2 4.48Å; M1398-S1821 VanDerWaalsContact CB-OG 3.28Å; M1398-S1821 WeakPolarHBondContact CB-OG 3.31Å; M1398-S1821 PolarHBondContact N-OG 2.79Å |
| 1399 | D | 92 | Very high | 92.2 | Very high | 44 Ų | 44 | 20.4 Ų | 20.4 | 24% | 0.235 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -57.8 | -56.2 | 168.1 | 64.2 | -40.7 | 0 | 0 | 0 | 111 | R1397 T1402 D1403 L1817 V1818 | R1397-D1399 WeakPolarHBondContact CA-OD1 3.45Å; R1397-D1399 PolarHBondContact O-N 2.92Å; D1399-T1402 PolarHBondContact O-N 3.48Å; D1399-D1403 PolarHBondContact O-N 2.89Å; D1399-D1403 VanDerWaalsContact O-N 3.15Å; D1399-L1817 HydrophobicContact CB-CB 4.48Å; D1399-V1818 HydrophobicContact CB-CG2 4.16Å |
| 1400 | Y | 93.5 | Very high | 92.3 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 8% | 0.082 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.1 | -37.9 | 177.1 | 173.4 | -110.4 | 0 | 0 | 0 | 111.7 | F1359 M1360 S1361 K1362 L1365 L1394 R1397 T1402 D1403 I1404 | F1359-Y1400 WeakPolarHBondContact O-CE1 3.47Å; F1359-Y1400 PolarHBondContact O-OH 3.22Å; M1360-Y1400 VanDerWaalsContact C-OH 3.3Å; M1360-Y1400 HydrophobicContact SD-CD1 3.92Å; M1360-Y1400 HydrophobicContact SD-CE1 3.95Å; S1361-Y1400 PolarHBondContact N-OH 2.82Å; S1361-Y1400 PolarHBondContact O-OH 2.9Å; K1362-Y1400 WeakPolarHBondContact CA-OH 3.19Å; K1362-Y1400 HydrophobicContact CB-CE2 4.17Å; K1362-Y1400 PolarHBondContact N-OH 3.01Å; L1365-Y1400 HydrophobicContact CD2-CE1 4.19Å; L1394-Y1400 HydrophobicContact CD2-CD1 3.77Å; L1394-Y1400 HydrophobicContact CD2-CE1 3.65Å; R1397-Y1400 PolarHBondContact O-N 3.01Å; R1397-Y1400 VanDerWaalsContact O-N 3.12Å; Y1400-T1402 VanDerWaalsContact C-N 3.28Å; Y1400-T1402 PolarHBondContact O-N 3.4Å; Y1400-D1403 PolarHBondContact O-N 2.89Å; Y1400-I1404 HydrophobicContact CD2-CG1 4.36Å; Y1400-I1404 HydrophobicContact CE1-CG1 4.22Å; Y1400-I1404 HydrophobicContact CE2-CD1 4.01Å; Y1400-I1404 HydrophobicContact CE2-CG1 3.98Å; Y1400-I1404 VanDerWaalsContact O-CG1 3.26Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.46Å; Y1400-I1404 PolarHBondContact O-N 3Å |
| 1401 | C | 93.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -56.3 | -43.3 | 173 | -165.4 | 0 | 0 | 0 | 0 | 111.8 | M1391 L1394 R1397 M1398 I1404 L1405 | M1391-C1401 VanDerWaalsContact CE-SG 3.58Å; L1394-C1401 HydrophobicContact CB-CB 3.81Å; L1394-C1401 VanDerWaalsContact CB-SG 3.6Å; L1394-C1401 HydrophobicContact CD1-CB 4.44Å; R1397-C1401 WeakPolarHBondContact O-CB 3.27Å; R1397-C1401 PolarHBondContact O-N 2.95Å; M1398-C1401 HydrophobicContact SD-CB 4.09Å; C1401-I1404 PolarHBondContact O-N 2.73Å; C1401-L1405 VanDerWaalsContact O-CB 3.31Å; C1401-L1405 WeakPolarHBondContact O-CB 3.48Å; C1401-L1405 PolarHBondContact O-N 2.77Å |
| 1402 | T | 94.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.006 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -71 | -39 | -178.2 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | M1398 D1399 Y1400 L1405 K1406 W1441 Y1699 L1817 | M1398-T1402 VanDerWaalsContact O-CB 3.32Å; M1398-T1402 WeakPolarHBondContact O-CB 3.34Å; M1398-T1402 PolarHBondContact O-N 3.37Å; M1398-T1402 PolarHBondContact O-OG1 3.19Å; D1399-T1402 PolarHBondContact O-N 3.48Å; Y1400-T1402 VanDerWaalsContact C-N 3.28Å; Y1400-T1402 PolarHBondContact O-N 3.4Å; T1402-L1405 PolarHBondContact O-N 2.8Å; T1402-K1406 HydrophobicContact CG2-CD 4.33Å; T1402-K1406 WeakPolarHBondContact O-CB 3.11Å; T1402-K1406 WeakPolarHBondContact O-CG 3.19Å; T1402-K1406 PolarHBondContact O-N 3.26Å; T1402-W1441 HydrophobicContact CG2-CZ2 3.95Å; T1402-W1441 PolarHBondContact OG1-NE1 2.84Å; T1402-Y1699 HydrophobicContact CG2-CE1 3.8Å; T1402-L1817 HydrophobicContact CG2-CD1 4.03Å; T1402-L1817 VanDerWaalsContact OG1-CD1 3.27Å; T1402-L1817 WeakPolarHBondContact OG1-CD1 3.39Å |
| 1403 | D | 93.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 23.8 Ų | 23.8 | 35% | 0.348 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 172.3 | 175.6 | 38.3 | 0 | 0 | 0 | 112.1 | K1362 D1399 Y1400 T1407 | K1362-D1403 WeakPolarHBondContact CD-OD2 3.33Å; K1362-D1403 WeakPolarHBondContact CE-OD2 3.27Å; K1362-D1403 IonicContact NZ-OD1 2.63Å; K1362-D1403 PolarHBondContact NZ-OD1 2.92Å; K1362-D1403 IonicContact NZ-OD2 3.92Å; K1362-D1403 PolarHBondContact NZ-OD2 3Å; D1399-D1403 PolarHBondContact O-N 2.89Å; D1399-D1403 VanDerWaalsContact O-N 3.15Å; Y1400-D1403 PolarHBondContact O-N 2.89Å; D1403-T1407 WeakPolarHBondContact O-CB 3.45Å; D1403-T1407 PolarHBondContact O-N 2.97Å; D1403-T1407 PolarHBondContact O-OG1 3.22Å |
| 1404 | I | 94.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 174 | -64 | -71.5 | 0 | 0 | 0 | 110.7 | K1362 L1365 L1366 Y1400 C1401 T1407 L1408 M1437 | K1362-I1404 HydrophobicContact CB-CD1 4.15Å; K1362-I1404 HydrophobicContact CD-CD1 4.42Å; K1362-I1404 HydrophobicContact CG-CD1 3.77Å; L1365-I1404 HydrophobicContact CD2-CB 4.4Å; L1365-I1404 HydrophobicContact CD2-CD1 3.95Å; L1365-I1404 HydrophobicContact CD2-CG1 3.85Å; L1365-I1404 HydrophobicContact CD2-CG2 3.87Å; L1365-I1404 HydrophobicContact CG-CD1 4.32Å; L1365-I1404 HydrophobicContact CG-CG2 4.13Å; L1366-I1404 HydrophobicContact CD2-CD1 4.41Å; L1366-I1404 HydrophobicContact CD2-CG2 4.41Å; L1366-I1404 HydrophobicContact CG-CD1 4.23Å; Y1400-I1404 HydrophobicContact CD2-CG1 4.36Å; Y1400-I1404 HydrophobicContact CE1-CG1 4.22Å; Y1400-I1404 HydrophobicContact CE2-CD1 4.01Å; Y1400-I1404 HydrophobicContact CE2-CG1 3.98Å; Y1400-I1404 VanDerWaalsContact O-CG1 3.26Å; Y1400-I1404 WeakPolarHBondContact O-CG1 3.46Å; Y1400-I1404 PolarHBondContact O-N 3Å; C1401-I1404 PolarHBondContact O-N 2.73Å; I1404-T1407 PolarHBondContact O-N 3.32Å; I1404-L1408 HydrophobicContact CG2-CD1 3.8Å; I1404-L1408 HydrophobicContact CG2-CG 4.3Å; I1404-L1408 WeakPolarHBondContact O-CB 3.42Å; I1404-L1408 WeakPolarHBondContact O-CG 3.41Å; I1404-L1408 PolarHBondContact O-N 3.08Å; I1404-M1437 HydrophobicContact CG2-CE 4.34Å |
| 1405 | L | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.8 | -50.2 | 179.1 | 179.3 | 60 | 0 | 0 | 0 | 111.6 | C1401 T1402 T1407 L1408 L1409 M1437 L1438 W1441 M1700 | C1401-L1405 VanDerWaalsContact O-CB 3.31Å; C1401-L1405 WeakPolarHBondContact O-CB 3.48Å; C1401-L1405 PolarHBondContact O-N 2.77Å; T1402-L1405 PolarHBondContact O-N 2.8Å; L1405-T1407 VanDerWaalsContact C-N 3.31Å; L1405-T1407 PolarHBondContact O-N 3.33Å; L1405-L1408 PolarHBondContact O-N 2.98Å; L1405-L1409 HydrophobicContact CD1-CD1 3.76Å; L1405-L1409 HydrophobicContact CD1-CD2 4.39Å; L1405-L1409 HydrophobicContact CD1-CG 3.86Å; L1405-L1409 HydrophobicContact CD2-CD1 4.46Å; L1405-L1409 HydrophobicContact CG-CD1 3.72Å; L1405-L1409 HydrophobicContact CG-CG 4.26Å; L1405-L1409 WeakPolarHBondContact O-CB 3.3Å; L1405-L1409 VanDerWaalsContact O-CG 3.25Å; L1405-L1409 WeakPolarHBondContact O-CG 3.33Å; L1405-L1409 PolarHBondContact O-N 3.19Å; L1405-M1437 HydrophobicContact CD1-CB 3.77Å; L1405-L1438 HydrophobicContact CD1-CB 4.23Å; L1405-L1438 HydrophobicContact CD2-CD1 4.28Å; L1405-W1441 HydrophobicContact CD2-CB 3.67Å; L1405-W1441 HydrophobicContact CD2-CD2 3.99Å; L1405-W1441 HydrophobicContact CD2-CG 3.56Å; L1405-M1700 HydrophobicContact CD2-CE 4.04Å |
| 1406 | K | 93.8 | Very high | 91.7 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 20% | 0.204 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.2 | -45 | 174.4 | -74.8 | 175.8 | 71.8 | 174.3 | 0 | 111.1 | T1402 L1408 L1409 A1410 Y1699 F1703 D1810 | T1402-K1406 HydrophobicContact CG2-CD 4.33Å; T1402-K1406 WeakPolarHBondContact O-CB 3.11Å; T1402-K1406 WeakPolarHBondContact O-CG 3.19Å; T1402-K1406 PolarHBondContact O-N 3.26Å; K1406-L1408 PolarHBondContact O-N 2.86Å; K1406-L1409 PolarHBondContact O-N 2.88Å; K1406-A1410 WeakPolarHBondContact O-CB 3.26Å; K1406-A1410 PolarHBondContact O-N 3.25Å; K1406-Y1699 HydrophobicContact CD-CE1 3.87Å; K1406-Y1699 WeakPolarHBondContact CD-OH 3.22Å; K1406-Y1699 PolarHBondContact NZ-OH 3.03Å; K1406-F1703 HydrophobicContact CB-CD2 4.45Å; K1406-F1703 HydrophobicContact CB-CE2 4.01Å; K1406-F1703 HydrophobicContact CB-CZ 4.21Å; K1406-F1703 HydrophobicContact CD-CD2 4.45Å; K1406-F1703 HydrophobicContact CG-CD2 4.13Å; K1406-F1703 HydrophobicContact CG-CE2 4.18Å; K1406-F1703 HydrophobicContact CG-CG 4.36Å; K1406-F1703 HydrophobicContact CG-CZ 4.47Å; K1406-F1703 WeakPolarHBondContact O-CZ 3.44Å; K1406-D1810 IonicContact NZ-OD1 3.28Å; K1406-D1810 PolarHBondContact NZ-OD1 2.88Å |
| 1407 | T | 94.3 | Very high | 91.5 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 24% | 0.239 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.7 | -40.5 | 178.9 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | K1362 L1366 D1403 I1404 L1405 S1411 | K1362-T1407 WeakPolarHBondContact CE-OG1 3.45Å; K1362-T1407 PolarHBondContact NZ-OG1 2.99Å; K1362-T1407 VanDerWaalsContact NZ-OG1 3.1Å; L1366-T1407 HydrophobicContact CD1-CG2 3.74Å; L1366-T1407 HydrophobicContact CD2-CG2 3.91Å; D1403-T1407 WeakPolarHBondContact O-CB 3.45Å; D1403-T1407 PolarHBondContact O-N 2.97Å; D1403-T1407 PolarHBondContact O-OG1 3.22Å; I1404-T1407 PolarHBondContact O-N 3.32Å; L1405-T1407 VanDerWaalsContact C-N 3.31Å; L1405-T1407 PolarHBondContact O-N 3.33Å; T1407-S1411 PolarHBondContact O-N 3.28Å |
| 1408 | L | 93.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -72.3 | -41.4 | 177.9 | -71.6 | 174.1 | 0 | 0 | 0 | 112.4 | L1366 V1369 I1404 L1405 K1406 S1411 L1412 A1434 M1437 | L1366-L1408 HydrophobicContact CD2-CD2 3.59Å; L1366-L1408 HydrophobicContact CD2-CG 3.78Å; V1369-L1408 HydrophobicContact CB-CD2 4.12Å; V1369-L1408 HydrophobicContact CG1-CD1 4.1Å; V1369-L1408 HydrophobicContact CG1-CD2 3.59Å; V1369-L1408 HydrophobicContact CG2-CD1 4.24Å; I1404-L1408 HydrophobicContact CG2-CD1 3.8Å; I1404-L1408 HydrophobicContact CG2-CG 4.3Å; I1404-L1408 WeakPolarHBondContact O-CB 3.42Å; I1404-L1408 WeakPolarHBondContact O-CG 3.41Å; I1404-L1408 PolarHBondContact O-N 3.08Å; L1405-L1408 PolarHBondContact O-N 2.98Å; K1406-L1408 PolarHBondContact O-N 2.86Å; L1408-S1411 PolarHBondContact O-N 2.79Å; L1408-L1412 WeakPolarHBondContact O-CB 3.4Å; L1408-L1412 PolarHBondContact O-N 2.94Å; L1408-A1434 HydrophobicContact CB-CB 3.93Å; L1408-M1437 HydrophobicContact CD1-SD 3.94Å |
| 1409 | L | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.9 | -41.2 | 177.4 | -69.1 | 171.2 | 0 | 0 | 0 | 111.7 | L1405 K1406 L1412 I1413 F1427 A1434 L1438 M1700 F1703 | L1405-L1409 HydrophobicContact CD1-CD1 3.76Å; L1405-L1409 HydrophobicContact CD1-CD2 4.39Å; L1405-L1409 HydrophobicContact CD1-CG 3.86Å; L1405-L1409 HydrophobicContact CD2-CD1 4.46Å; L1405-L1409 HydrophobicContact CG-CD1 3.72Å; L1405-L1409 HydrophobicContact CG-CG 4.26Å; L1405-L1409 WeakPolarHBondContact O-CB 3.3Å; L1405-L1409 VanDerWaalsContact O-CG 3.25Å; L1405-L1409 WeakPolarHBondContact O-CG 3.33Å; L1405-L1409 PolarHBondContact O-N 3.19Å; K1406-L1409 PolarHBondContact O-N 2.88Å; L1409-L1412 WeakPolarHBondContact O-CB 3.34Å; L1409-L1412 PolarHBondContact O-N 3.22Å; L1409-L1412 VanDerWaalsContact O-N 3.15Å; L1409-I1413 WeakPolarHBondContact O-CG1 3.15Å; L1409-I1413 PolarHBondContact O-N 3.31Å; L1409-F1427 HydrophobicContact CD2-CE1 3.73Å; L1409-F1427 HydrophobicContact CD2-CZ 4.46Å; L1409-A1434 HydrophobicContact CD2-CB 4.06Å; L1409-L1438 HydrophobicContact CD1-CD1 4.21Å; L1409-L1438 HydrophobicContact CD1-CD2 4.34Å; L1409-L1438 HydrophobicContact CD2-CB 4.46Å; L1409-L1438 HydrophobicContact CD2-CD2 4.16Å; L1409-M1700 HydrophobicContact CD1-CE 4.27Å; L1409-M1700 HydrophobicContact CD1-SD 3.88Å; L1409-F1703 HydrophobicContact CB-CE1 3.69Å; L1409-F1703 HydrophobicContact CB-CZ 4.05Å; L1409-F1703 HydrophobicContact CD1-CE1 4.13Å |
| 1410 | A | 93 | Very high | 89.7 | Confident | 24 Ų | 24 | 48.6 Ų | 48.6 | 20% | 0.198 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K1406 L1412 I1413 E1414 F1703 Q1707 | K1406-A1410 WeakPolarHBondContact O-CB 3.26Å; K1406-A1410 PolarHBondContact O-N 3.25Å; A1410-L1412 VanDerWaalsContact C-N 3.25Å; A1410-L1412 PolarHBondContact O-N 2.78Å; A1410-I1413 PolarHBondContact O-N 2.67Å; A1410-E1414 WeakPolarHBondContact O-CB 3.47Å; A1410-E1414 PolarHBondContact O-N 2.84Å; A1410-F1703 HydrophobicContact CB-CE2 4.49Å; A1410-F1703 HydrophobicContact CB-CZ 4.1Å; A1410-Q1707 VanDerWaalsContact CA-OE1 3.3Å; A1410-Q1707 VanDerWaalsContact CB-OE1 3.22Å |
| 1411 | S | 90.5 | Very high | 88.6 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 17% | 0.168 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.3 | -27.6 | 176.2 | -170.7 | 0 | 0 | 0 | 0 | 113.2 | T1407 L1408 K1415 | T1407-S1411 PolarHBondContact O-N 3.28Å; L1408-S1411 PolarHBondContact O-N 2.79Å; S1411-K1415 WeakPolarHBondContact O-CB 3.5Å; S1411-K1415 VanDerWaalsContact O-CD 3.26Å; S1411-K1415 WeakPolarHBondContact O-CD 3.47Å; S1411-K1415 WeakPolarHBondContact O-CG 3.2Å; S1411-K1415 PolarHBondContact O-N 3.47Å; S1411-K1415 WeakPolarHBondContact OG-CE 3.33Å; S1411-K1415 PolarHBondContact OG-NZ 3.34Å |
| 1412 | L | 89.9 | Confident | 87.9 | Confident | 27 Ų | 27 | 61.2 Ų | 61.2 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -73 | -43 | 173.9 | -177.8 | 68 | 0 | 0 | 0 | 111.7 | L1408 L1409 A1410 T1416 L1426 F1427 S1432 A1434 E1435 | L1408-L1412 WeakPolarHBondContact O-CB 3.4Å; L1408-L1412 PolarHBondContact O-N 2.94Å; L1409-L1412 WeakPolarHBondContact O-CB 3.34Å; L1409-L1412 PolarHBondContact O-N 3.22Å; L1409-L1412 VanDerWaalsContact O-N 3.15Å; A1410-L1412 VanDerWaalsContact C-N 3.25Å; A1410-L1412 PolarHBondContact O-N 2.78Å; L1412-T1416 WeakPolarHBondContact O-CB 3.22Å; L1412-T1416 PolarHBondContact O-N 3.39Å; L1412-T1416 PolarHBondContact O-OG1 2.94Å; L1412-L1426 HydrophobicContact CD2-CD1 4.07Å; L1412-L1426 HydrophobicContact CG-CD1 4.11Å; L1412-F1427 HydrophobicContact CD2-CE1 4.37Å; L1412-S1432 WeakPolarHBondContact CD2-OG 3.38Å; L1412-A1434 HydrophobicContact CD2-CB 4.37Å; L1412-E1435 HydrophobicContact CD2-CG 4.07Å |
| 1413 | I | 90.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -52.6 | 176.2 | -69.1 | 163.9 | 0 | 0 | 0 | 109.7 | L1409 A1410 K1415 T1416 V1417 L1426 F1427 Q1707 W1722 | L1409-I1413 WeakPolarHBondContact O-CG1 3.15Å; L1409-I1413 PolarHBondContact O-N 3.31Å; A1410-I1413 PolarHBondContact O-N 2.67Å; I1413-K1415 PolarHBondContact O-N 2.63Å; I1413-T1416 WeakPolarHBondContact O-CA 2.92Å; I1413-T1416 WeakPolarHBondContact O-CB 3.09Å; I1413-T1416 PolarHBondContact O-N 3.31Å; I1413-V1417 HydrophobicContact CG2-CG2 4.37Å; I1413-V1417 WeakPolarHBondContact O-CG2 3.5Å; I1413-V1417 PolarHBondContact O-N 3.38Å; I1413-L1426 HydrophobicContact CG1-CD2 3.71Å; I1413-F1427 HydrophobicContact CD1-CZ 4.27Å; I1413-F1427 HydrophobicContact CG1-CZ 4.26Å; I1413-Q1707 HydrophobicContact CD1-CB 3.66Å; I1413-Q1707 HydrophobicContact CD1-CG 3.87Å; I1413-Q1707 HydrophobicContact CG2-CB 4.42Å; I1413-W1722 HydrophobicContact CD1-CH2 4.4Å; I1413-W1722 HydrophobicContact CD1-CZ3 4.12Å; I1413-W1722 HydrophobicContact CG1-CH2 4.22Å; I1413-W1722 HydrophobicContact CG1-CZ3 4.41Å; I1413-W1722 HydrophobicContact CG2-CH2 3.54Å; I1413-W1722 HydrophobicContact CG2-CZ2 4.3Å; I1413-W1722 HydrophobicContact CG2-CZ3 4.21Å |
| 1414 | E | 89.6 | Confident | 86.4 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 40% | 0.402 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -49.9 | -56.2 | 176.5 | -179 | 179 | -132.5 | 0 | 0 | 111.4 | A1410 T1416 V1417 E1418 | A1410-E1414 WeakPolarHBondContact O-CB 3.47Å; A1410-E1414 PolarHBondContact O-N 2.84Å; E1414-T1416 PolarHBondContact O-N 3.49Å; E1414-V1417 PolarHBondContact O-N 2.99Å; E1414-E1418 HydrophobicContact CG-CG 4.49Å; E1414-E1418 WeakPolarHBondContact O-CB 3.37Å; E1414-E1418 WeakPolarHBondContact O-CG 3.48Å; E1414-E1418 PolarHBondContact O-N 3.37Å |
| 1415 | K | 86.1 | Confident | 85.7 | Confident | 70 Ų | 70 | 67.8 Ų | 67.8 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.9 | -30.5 | 176.6 | -73.8 | 167.8 | -171 | 155.6 | 0 | 113.8 | S1411 I1413 R1419 | S1411-K1415 WeakPolarHBondContact O-CB 3.5Å; S1411-K1415 VanDerWaalsContact O-CD 3.26Å; S1411-K1415 WeakPolarHBondContact O-CD 3.47Å; S1411-K1415 WeakPolarHBondContact O-CG 3.2Å; S1411-K1415 PolarHBondContact O-N 3.47Å; S1411-K1415 WeakPolarHBondContact OG-CE 3.33Å; S1411-K1415 PolarHBondContact OG-NZ 3.34Å; I1413-K1415 PolarHBondContact O-N 2.63Å; K1415-R1419 VanDerWaalsContact O-CB 3.27Å; K1415-R1419 WeakPolarHBondContact O-CB 3.46Å; K1415-R1419 WeakPolarHBondContact O-CD 3.49Å; K1415-R1419 WeakPolarHBondContact O-CG 3.32Å; K1415-R1419 PolarHBondContact O-N 2.93Å |
| 1416 | T | 85.4 | Confident | 85.2 | Confident | 18 Ų | 18 | 68.4 Ų | 68.4 | 11% | 0.11 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -74.7 | -42.4 | 179.9 | -59.7 | 0 | 0 | 0 | 0 | 110.6 | L1412 I1413 E1414 R1420 Y1421 L1426 | L1412-T1416 WeakPolarHBondContact O-CB 3.22Å; L1412-T1416 PolarHBondContact O-N 3.39Å; L1412-T1416 PolarHBondContact O-OG1 2.94Å; I1413-T1416 WeakPolarHBondContact O-CA 2.92Å; I1413-T1416 WeakPolarHBondContact O-CB 3.09Å; I1413-T1416 PolarHBondContact O-N 3.31Å; E1414-T1416 PolarHBondContact O-N 3.49Å; T1416-R1420 PolarHBondContact O-N 3.12Å; T1416-Y1421 PolarHBondContact O-N 3.47Å; T1416-L1426 HydrophobicContact CG2-CD1 4.39Å |
| 1417 | V | 83.5 | Confident | 84.8 | Confident | 43 Ų | 43 | 66.4 Ų | 66.4 | 26% | 0.261 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.6 | -50.2 | 176.4 | 176.6 | 0 | 0 | 0 | 0 | 111 | I1413 E1414 R1419 R1420 H1711 I1713 | I1413-V1417 HydrophobicContact CG2-CG2 4.37Å; I1413-V1417 WeakPolarHBondContact O-CG2 3.5Å; I1413-V1417 PolarHBondContact O-N 3.38Å; E1414-V1417 PolarHBondContact O-N 2.99Å; V1417-R1419 VanDerWaalsContact C-N 3.3Å; V1417-R1419 PolarHBondContact O-N 2.8Å; V1417-R1420 PolarHBondContact O-N 3.29Å; V1417-H1711 HydrophobicContact CG1-CB 4.35Å; V1417-H1711 HydrophobicContact CG2-CB 4.16Å; V1417-I1713 HydrophobicContact CG2-CD1 3.87Å |
| 1418 | E | 83.4 | Confident | 84.1 | Confident | 140 Ų | 140 | 70.9 Ų | 70.9 | 65% | 0.654 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -55.9 | -42.8 | 178.4 | -74.9 | -172.9 | 145.7 | 0 | 0 | 112.6 | E1414 R1420 | E1414-E1418 HydrophobicContact CG-CG 4.49Å; E1414-E1418 WeakPolarHBondContact O-CB 3.37Å; E1414-E1418 WeakPolarHBondContact O-CG 3.48Å; E1414-E1418 PolarHBondContact O-N 3.37Å; E1418-R1420 PolarHBondContact O-N 2.04Å |
| 1419 | R | 81 | Confident | 83.2 | Confident | 168 Ų | 168 | 75.1 Ų | 75.1 | 63% | 0.634 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | 0.8 | -179.3 | -68 | 179.1 | 177.3 | -172.9 | -3.9 | 114 | K1415 V1417 Y1421 | K1415-R1419 VanDerWaalsContact O-CB 3.27Å; K1415-R1419 WeakPolarHBondContact O-CB 3.46Å; K1415-R1419 WeakPolarHBondContact O-CD 3.49Å; K1415-R1419 WeakPolarHBondContact O-CG 3.32Å; K1415-R1419 PolarHBondContact O-N 2.93Å; V1417-R1419 VanDerWaalsContact C-N 3.3Å; V1417-R1419 PolarHBondContact O-N 2.8Å; R1419-Y1421 HydrophobicContact CB-CD2 3.6Å; R1419-Y1421 HydrophobicContact CB-CE2 3.66Å; R1419-Y1421 HydrophobicContact CB-CG 4.39Å; R1419-Y1421 HydrophobicContact CG-CE2 4.27Å; R1419-Y1421 PolarHBondContact O-N 2.82Å |
| 1420 | R | 72.5 | Confident | 82 | Confident | 235 Ų | 235 | 76.1 Ų | 76.1 | 89% | 0.887 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.4 | 30.1 | -175.7 | -56.4 | -173.7 | 178.1 | -142 | -0.1 | 113.9 | T1416 V1417 E1418 | T1416-R1420 PolarHBondContact O-N 3.12Å; V1417-R1420 PolarHBondContact O-N 3.29Å; E1418-R1420 PolarHBondContact O-N 2.04Å |
| 1421 | Y | 71.4 | Confident | 81.3 | Confident | 146 Ų | 146 | 79.8 Ų | 79.8 | 57% | 0.573 | 35% | 0.35 | S | S | * | . | trans | -70.8 | 151.1 | 170.2 | -71.9 | -52.6 | 0 | 0 | 0 | 109.9 | T1416 R1419 P1423 | T1416-Y1421 PolarHBondContact O-N 3.47Å; R1419-Y1421 HydrophobicContact CB-CD2 3.6Å; R1419-Y1421 HydrophobicContact CB-CE2 3.66Å; R1419-Y1421 HydrophobicContact CB-CG 4.39Å; R1419-Y1421 HydrophobicContact CG-CE2 4.27Å; R1419-Y1421 PolarHBondContact O-N 2.82Å; Y1421-P1423 WeakPolarHBondContact O-CD 3.46Å | ||
| 1422 | Q | 77.5 | Confident | 81.1 | Confident | 141 Ų | 141 | 78.8 Ų | 78.8 | 66% | 0.659 | 34% | 0.344 | S | S | * | . | trans | -60 | 108.1 | -177.7 | -75.4 | -175.9 | -19.4 | 0 | 0 | 110.7 | R1424 I1425 | Q1422-R1424 PolarHBondContact O-N 2.94Å; Q1422-R1424 VanDerWaalsContact O-N 3.17Å; Q1422-I1425 HydrophobicContact CB-CD1 4.21Å; Q1422-I1425 HydrophobicContact CB-CG1 4.33Å; Q1422-I1425 PolarHBondContact O-N 2.82Å; Q1422-I1425 VanDerWaalsContact O-N 3.13Å; Q1422-I1425 VanDerWaalsContact OE1-CD1 3.24Å | ||
| 1423 | P | 77.3 | Confident | 81.2 | Confident | 40 Ų | 40 | 77.5 Ų | 77.5 | 26% | 0.26 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -62.8 | -32.3 | -171.6 | -26.2 | 38.5 | 0 | 0 | 0 | 112.2 | Y1421 I1425 L1426 I1713 V1718 W1722 | Y1421-P1423 WeakPolarHBondContact O-CD 3.46Å; P1423-I1425 PolarHBondContact O-N 3.18Å; P1423-L1426 WeakPolarHBondContact O-CB 3.48Å; P1423-L1426 PolarHBondContact O-N 2.99Å; P1423-L1426 VanDerWaalsContact O-N 3.09Å; P1423-I1713 HydrophobicContact CB-CD1 4.48Å; P1423-V1718 HydrophobicContact CB-CG1 3.59Å; P1423-V1718 HydrophobicContact CB-CG2 4.29Å; P1423-W1722 HydrophobicContact CB-CZ2 4.35Å; P1423-W1722 PolarHBondContact O-NE1 2.95Å |
| 1424 | R | 80 | Confident | 81.2 | Confident | 92 Ų | 92 | 77.6 Ų | 77.6 | 35% | 0.347 | 34% | 0.337 | S | S | . | . | G | 310 helix | trans | -56.3 | -13.2 | 177.1 | -59.1 | -170.9 | 178.4 | -160.5 | -4.5 | 115.1 | Q1422 D1715 E1717 V1718 A1721 N1725 | Q1422-R1424 PolarHBondContact O-N 2.94Å; Q1422-R1424 VanDerWaalsContact O-N 3.17Å; R1424-D1715 IonicContact CZ-OD2 2.76Å; R1424-D1715 IonicContact NE-OD2 3.89Å; R1424-D1715 PolarHBondContact NE-OD2 3.14Å; R1424-D1715 VanDerWaalsContact NE-OD2 3.16Å; R1424-D1715 IonicContact NH2-OD1 3.69Å; R1424-D1715 PolarHBondContact NH2-OD1 3.45Å; R1424-D1715 IonicContact NH2-OD2 2.8Å; R1424-D1715 PolarHBondContact NH2-OD2 3.42Å; R1424-E1717 VanDerWaalsContact CZ-CB 3.47Å; R1424-E1717 IonicContact CZ-OE1 3.61Å; R1424-E1717 IonicContact CZ-OE2 2.74Å; R1424-E1717 IonicContact NH1-OE1 2.74Å; R1424-E1717 PolarHBondContact NH1-OE1 2.94Å; R1424-E1717 IonicContact NH1-OE2 3.68Å; R1424-E1717 PolarHBondContact NH1-OE2 3.47Å; R1424-E1717 IonicContact NH2-OE1 2.89Å; R1424-E1717 PolarHBondContact NH2-OE1 3.42Å; R1424-E1717 IonicContact NH2-OE2 2.61Å; R1424-V1718 HydrophobicContact CG-CB 4.26Å; R1424-V1718 HydrophobicContact CG-CG2 3.5Å; R1424-A1721 HydrophobicContact CB-CB 4.34Å; R1424-A1721 WeakPolarHBondContact O-CB 3.37Å; R1424-N1725 PolarHBondContact O-ND2 3.04Å |
| 1425 | I | 80.1 | Confident | 81.2 | Confident | 72 Ų | 72 | 74.3 Ų | 74.3 | 37% | 0.369 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -99.8 | -11 | -178.6 | -59.2 | -177.8 | 0 | 0 | 0 | 112.6 | Q1422 P1423 R1428 | Q1422-I1425 HydrophobicContact CB-CD1 4.21Å; Q1422-I1425 HydrophobicContact CB-CG1 4.33Å; Q1422-I1425 PolarHBondContact O-N 2.82Å; Q1422-I1425 VanDerWaalsContact O-N 3.13Å; Q1422-I1425 VanDerWaalsContact OE1-CD1 3.24Å; P1423-I1425 PolarHBondContact O-N 3.18Å; I1425-R1428 HydrophobicContact CG2-CB 4.45Å; I1425-R1428 WeakPolarHBondContact O-CB 3.47Å; I1425-R1428 PolarHBondContact O-N 3.29Å; I1425-R1428 VanDerWaalsContact O-N 3.15Å |
| 1426 | L | 82.8 | Confident | 81.3 | Confident | 12 Ų | 12 | 72.4 Ų | 72.4 | 6% | 0.063 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 145.3 | -179.3 | -168 | 61.5 | 0 | 0 | 0 | 112 | L1412 I1413 T1416 P1423 R1428 W1722 N1725 | L1412-L1426 HydrophobicContact CD2-CD1 4.07Å; L1412-L1426 HydrophobicContact CG-CD1 4.11Å; I1413-L1426 HydrophobicContact CG1-CD2 3.71Å; T1416-L1426 HydrophobicContact CG2-CD1 4.39Å; P1423-L1426 WeakPolarHBondContact O-CB 3.48Å; P1423-L1426 PolarHBondContact O-N 2.99Å; P1423-L1426 VanDerWaalsContact O-N 3.09Å; L1426-R1428 PolarHBondContact O-N 3.39Å; L1426-W1722 HydrophobicContact CD2-CZ2 3.97Å; L1426-N1725 WeakPolarHBondContact O-CB 3.35Å; L1426-N1725 PolarHBondContact O-ND2 3.07Å |
| 1427 | F | 85.4 | Confident | 81.6 | Confident | 5 Ų | 5 | 71.5 Ų | 71.5 | 2% | 0.022 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.3 | -13 | -172.6 | -43.6 | -53.2 | 0 | 0 | 0 | 115.6 | L1409 L1412 I1413 R1429 E1435 L1438 M1704 W1722 N1725 R1730 | L1409-F1427 HydrophobicContact CD2-CE1 3.73Å; L1409-F1427 HydrophobicContact CD2-CZ 4.46Å; L1412-F1427 HydrophobicContact CD2-CE1 4.37Å; I1413-F1427 HydrophobicContact CD1-CZ 4.27Å; I1413-F1427 HydrophobicContact CG1-CZ 4.26Å; F1427-R1429 VanDerWaalsContact C-N 3.29Å; F1427-R1429 PolarHBondContact O-N 2.9Å; F1427-E1435 VanDerWaalsContact CA-OE1 3.23Å; F1427-E1435 WeakPolarHBondContact CA-OE1 3.32Å; F1427-E1435 HydrophobicContact CD1-CG 3.91Å; F1427-E1435 PolarHBondContact N-OE1 2.89Å; F1427-L1438 HydrophobicContact CD1-CD2 4.14Å; F1427-L1438 HydrophobicContact CE1-CD2 4.39Å; F1427-M1704 HydrophobicContact CD2-CE 4.2Å; F1427-M1704 HydrophobicContact CD2-SD 4.48Å; F1427-M1704 HydrophobicContact CE2-CE 3.85Å; F1427-M1704 HydrophobicContact CE2-CG 4.41Å; F1427-M1704 HydrophobicContact CE2-SD 4.06Å; F1427-M1704 HydrophobicContact CZ-CE 4.23Å; F1427-W1722 HydrophobicContact CD2-CB 4.01Å; F1427-W1722 HydrophobicContact CD2-CG 4.2Å; F1427-W1722 HydrophobicContact CE2-CB 3.97Å; F1427-W1722 HydrophobicContact CE2-CD2 4.2Å; F1427-W1722 AromaticContact CE2-CG 3.98Å; F1427-W1722 HydrophobicContact CE2-CG 3.98Å; F1427-N1725 HydrophobicContact CB-CB 3.86Å; F1427-R1730 PolarHBondContact O-NE 2.99Å |
| 1428 | R | 79.5 | Confident | 82 | Confident | 134 Ų | 134 | 69.6 Ų | 69.6 | 51% | 0.506 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -68.2 | -27.4 | -176.6 | -165.5 | 171.2 | 175.4 | 171.9 | 3 | 113 | I1425 L1426 N1725 R1730 | I1425-R1428 HydrophobicContact CG2-CB 4.45Å; I1425-R1428 WeakPolarHBondContact O-CB 3.47Å; I1425-R1428 PolarHBondContact O-N 3.29Å; I1425-R1428 VanDerWaalsContact O-N 3.15Å; L1426-R1428 PolarHBondContact O-N 3.39Å; R1428-N1725 HydrophobicContact CB-CB 4.26Å; R1428-N1725 WeakPolarHBondContact CG-OD1 3.27Å; R1428-R1730 PolarHBondContact O-NH2 3.13Å |
| 1429 | R | 73.9 | Confident | 82.2 | Confident | 100 Ų | 100 | 63.5 Ų | 63.5 | 38% | 0.377 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -122.2 | 151.1 | -179.8 | -61.7 | -176.4 | 179.5 | 178.2 | 1.3 | 109.1 | F1427 E1431 E1435 L1627 R1730 | F1427-R1429 VanDerWaalsContact C-N 3.29Å; F1427-R1429 PolarHBondContact O-N 2.9Å; R1429-E1431 HydrophobicContact CB-CG 3.8Å; R1429-E1431 WeakPolarHBondContact CD-OE1 3.41Å; R1429-E1431 IonicContact CZ-OE1 2.77Å; R1429-E1431 IonicContact NE-OE1 3.84Å; R1429-E1431 IonicContact NH1-OE1 3.01Å; R1429-E1431 PolarHBondContact NH1-OE1 2.73Å; R1429-E1431 PolarHBondContact O-N 3.38Å; R1429-E1431 VanDerWaalsContact O-N 3.09Å; R1429-E1435 VanDerWaalsContact O-OE1 3.09Å; R1429-E1435 VanDerWaalsContact O-OE2 3.14Å; R1429-L1627 HydrophobicContact CG-CD1 3.9Å; R1429-R1730 VanDerWaalsContact CA-NH2 3.25Å |
| 1430 | S | 69.6 | Low | 82.6 | Confident | 21 Ų | 21 | 55.5 Ų | 55.5 | 15% | 0.147 | 24% | 0.239 | C | C | . | . | trans | -87 | 68.6 | 173.9 | -59.7 | 0 | 0 | 0 | 0 | 108.9 | R1730 | S1430-R1730 PolarHBondContact OG-NH1 3.24Š| ||
| 1431 | E | 77.4 | Confident | 83.6 | Confident | 101 Ų | 101 | 44.3 Ų | 44.3 | 47% | 0.472 | 20% | 0.197 | S | C | . | . | trans | -97.4 | -9.6 | -176.4 | -73.8 | -177.2 | -167.6 | 0 | 0 | 112.5 | R1383 R1429 E1435 | R1383-E1431 WeakPolarHBondContact CD-O 3.35Å; R1383-E1431 PolarHBondContact NH1-O 2.93Å; R1429-E1431 HydrophobicContact CB-CG 3.8Å; R1429-E1431 WeakPolarHBondContact CD-OE1 3.41Å; R1429-E1431 IonicContact CZ-OE1 2.77Å; R1429-E1431 IonicContact NE-OE1 3.84Å; R1429-E1431 IonicContact NH1-OE1 3.01Å; R1429-E1431 PolarHBondContact NH1-OE1 2.73Å; R1429-E1431 PolarHBondContact O-N 3.38Å; R1429-E1431 VanDerWaalsContact O-N 3.09Å; E1431-E1435 PolarHBondContact N-OE2 2.98Å | ||
| 1432 | S | 86.6 | Confident | 84.6 | Confident | 4 Ų | 4 | 37.3 Ų | 37.3 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -121.8 | 161.9 | 171.3 | 60.2 | 0 | 0 | 0 | 0 | 112.9 | E1373 L1412 A1434 E1435 | E1373-S1432 WeakPolarHBondContact OE1-CA 3.36Å; E1373-S1432 WeakPolarHBondContact OE1-CB 3.39Å; L1412-S1432 WeakPolarHBondContact CD2-OG 3.38Å; S1432-A1434 VanDerWaalsContact C-N 3.29Å; S1432-E1435 PolarHBondContact N-OE2 3.43Å; S1432-E1435 VanDerWaalsContact OG-CB 3.28Å; S1432-E1435 WeakPolarHBondContact OG-CB 3.44Å; S1432-E1435 VanDerWaalsContact OG-CD 3.24Å; S1432-E1435 WeakPolarHBondContact OG-CG 3.06Å; S1432-E1435 PolarHBondContact OG-N 3.08Å; S1432-E1435 PolarHBondContact OG-OE2 2.86Å |
| 1433 | I | 91.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.2 | -40.6 | 168.3 | -57.4 | -174.2 | 0 | 0 | 0 | 109.1 | V1369 L1372 E1373 F1378 R1383 V1386 L1390 E1435 R1436 M1437 | V1369-I1433 HydrophobicContact CG1-CB 4.36Å; V1369-I1433 HydrophobicContact CG1-CD1 4.2Å; V1369-I1433 HydrophobicContact CG2-CD1 4.45Å; L1372-I1433 HydrophobicContact CB-CD1 4.13Å; L1372-I1433 HydrophobicContact CD1-CD1 4.04Å; E1373-I1433 HydrophobicContact CG-CD1 4.07Å; E1373-I1433 HydrophobicContact CG-CG1 3.93Å; E1373-I1433 PolarHBondContact OE1-N 2.98Å; F1378-I1433 HydrophobicContact CE1-CD1 3.62Å; F1378-I1433 HydrophobicContact CE1-CG1 3.78Å; F1378-I1433 HydrophobicContact CZ-CD1 3.93Å; F1378-I1433 HydrophobicContact CZ-CG1 4.34Å; R1383-I1433 HydrophobicContact CB-CG1 4.47Å; R1383-I1433 HydrophobicContact CG-CG1 4.42Å; V1386-I1433 HydrophobicContact CG1-CD1 4.02Å; L1390-I1433 HydrophobicContact CD1-CG2 3.9Å; I1433-E1435 PolarHBondContact O-N 2.82Å; I1433-R1436 PolarHBondContact O-N 2.84Å; I1433-R1436 VanDerWaalsContact O-N 3.08Å; I1433-M1437 HydrophobicContact CG2-CG 4.18Å; I1433-M1437 HydrophobicContact CG2-SD 3.99Å; I1433-M1437 WeakPolarHBondContact O-CG 3.23Å; I1433-M1437 PolarHBondContact O-N 3.31Å |
| 1434 | A | 90.9 | Very high | 85.9 | Confident | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -57.8 | -43.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1408 L1409 L1412 S1432 R1436 M1437 L1438 | L1408-A1434 HydrophobicContact CB-CB 3.93Å; L1409-A1434 HydrophobicContact CD2-CB 4.06Å; L1412-A1434 HydrophobicContact CD2-CB 4.37Å; S1432-A1434 VanDerWaalsContact C-N 3.29Å; A1434-R1436 VanDerWaalsContact C-N 3.32Å; A1434-R1436 PolarHBondContact O-N 2.87Å; A1434-M1437 PolarHBondContact O-N 2.74Å; A1434-L1438 WeakPolarHBondContact O-CB 3.35Å; A1434-L1438 PolarHBondContact O-N 2.98Å |
| 1435 | E | 88.8 | Confident | 86.4 | Confident | 18 Ų | 18 | 24.9 Ų | 24.9 | 8% | 0.084 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63 | -34.1 | 174.9 | -80.6 | 162.1 | 142.9 | 0 | 0 | 113.2 | L1412 F1427 R1429 E1431 S1432 I1433 A1439 | L1412-E1435 HydrophobicContact CD2-CG 4.07Å; F1427-E1435 VanDerWaalsContact CA-OE1 3.23Å; F1427-E1435 WeakPolarHBondContact CA-OE1 3.32Å; F1427-E1435 HydrophobicContact CD1-CG 3.91Å; F1427-E1435 PolarHBondContact N-OE1 2.89Å; R1429-E1435 VanDerWaalsContact O-OE1 3.09Å; R1429-E1435 VanDerWaalsContact O-OE2 3.14Å; E1431-E1435 PolarHBondContact N-OE2 2.98Å; S1432-E1435 PolarHBondContact N-OE2 3.43Å; S1432-E1435 VanDerWaalsContact OG-CB 3.28Å; S1432-E1435 WeakPolarHBondContact OG-CB 3.44Å; S1432-E1435 VanDerWaalsContact OG-CD 3.24Å; S1432-E1435 WeakPolarHBondContact OG-CG 3.06Å; S1432-E1435 PolarHBondContact OG-N 3.08Å; S1432-E1435 PolarHBondContact OG-OE2 2.86Å; I1433-E1435 PolarHBondContact O-N 2.82Å; E1435-A1439 PolarHBondContact O-N 2.81Å |
| 1436 | R | 89.2 | Confident | 86.9 | Confident | 29 Ų | 29 | 21.4 Ų | 21.4 | 11% | 0.109 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.8 | -43.1 | 173.4 | -179.3 | 61.6 | 172.6 | 164.9 | -3.9 | 111.3 | V1325 L1326 V1384 S1388 I1433 A1434 L1438 A1439 A1440 | V1325-R1436 PolarHBondContact O-NH2 3.29Å; V1325-R1436 VanDerWaalsContact O-NH2 3.11Å; L1326-R1436 PolarHBondContact O-NH2 3.02Å; V1384-R1436 WeakPolarHBondContact O-CG 3.42Å; S1388-R1436 PolarHBondContact OG-NE 2.83Å; S1388-R1436 PolarHBondContact OG-NH2 3.45Å; S1388-R1436 VanDerWaalsContact OG-NH2 3.13Å; I1433-R1436 PolarHBondContact O-N 2.84Å; I1433-R1436 VanDerWaalsContact O-N 3.08Å; A1434-R1436 VanDerWaalsContact C-N 3.32Å; A1434-R1436 PolarHBondContact O-N 2.87Å; R1436-L1438 VanDerWaalsContact C-N 3.29Å; R1436-L1438 PolarHBondContact O-N 2.81Å; R1436-A1439 PolarHBondContact O-N 3.17Å; R1436-A1440 WeakPolarHBondContact O-CB 3.19Å; R1436-A1440 PolarHBondContact O-N 2.67Å |
| 1437 | M | 92.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -58.9 | -41 | 176.3 | -70.3 | -179.5 | 69.1 | 0 | 0 | 111 | L1390 M1391 L1394 I1404 L1405 L1408 I1433 A1434 A1440 W1441 | L1390-M1437 HydrophobicContact CB-SD 4.42Å; L1390-M1437 HydrophobicContact CD1-SD 4.14Å; M1391-M1437 HydrophobicContact CG-CB 4.07Å; M1391-M1437 HydrophobicContact CG-CG 3.9Å; M1391-M1437 HydrophobicContact SD-CB 3.7Å; M1391-M1437 HydrophobicContact SD-CE 3.8Å; M1391-M1437 HydrophobicContact SD-CG 3.93Å; L1394-M1437 HydrophobicContact CD1-CE 4.01Å; I1404-M1437 HydrophobicContact CG2-CE 4.34Å; L1405-M1437 HydrophobicContact CD1-CB 3.77Å; L1408-M1437 HydrophobicContact CD1-SD 3.94Å; I1433-M1437 HydrophobicContact CG2-CG 4.18Å; I1433-M1437 HydrophobicContact CG2-SD 3.99Å; I1433-M1437 WeakPolarHBondContact O-CG 3.23Å; I1433-M1437 PolarHBondContact O-N 3.31Å; A1434-M1437 PolarHBondContact O-N 2.74Å; M1437-A1440 CarbonylContact O-C 3.54Å; M1437-A1440 PolarHBondContact O-N 2.8Å; M1437-W1441 VanDerWaalsContact O-CB 3.23Å; M1437-W1441 WeakPolarHBondContact O-CB 2.72Å; M1437-W1441 PolarHBondContact O-N 2.81Å |
| 1438 | L | 91.7 | Very high | 87.4 | Confident | 3 Ų | 3 | 26.4 Ų | 26.4 | 2% | 0.016 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.1 | -47.8 | 175.3 | 179.9 | 58.2 | 0 | 0 | 0 | 113 | L1405 L1409 F1427 A1434 R1436 A1440 W1441 F1442 M1700 M1704 | L1405-L1438 HydrophobicContact CD1-CB 4.23Å; L1405-L1438 HydrophobicContact CD2-CD1 4.28Å; L1409-L1438 HydrophobicContact CD1-CD1 4.21Å; L1409-L1438 HydrophobicContact CD1-CD2 4.34Å; L1409-L1438 HydrophobicContact CD2-CB 4.46Å; L1409-L1438 HydrophobicContact CD2-CD2 4.16Å; F1427-L1438 HydrophobicContact CD1-CD2 4.14Å; F1427-L1438 HydrophobicContact CE1-CD2 4.39Å; A1434-L1438 WeakPolarHBondContact O-CB 3.35Å; A1434-L1438 PolarHBondContact O-N 2.98Å; R1436-L1438 VanDerWaalsContact C-N 3.29Å; R1436-L1438 PolarHBondContact O-N 2.81Å; L1438-A1440 VanDerWaalsContact C-N 3.31Å; L1438-A1440 PolarHBondContact O-N 2.92Å; L1438-W1441 HydrophobicContact CD1-CE3 4.43Å; L1438-W1441 PolarHBondContact O-N 2.8Å; L1438-F1442 HydrophobicContact CD1-CD2 4.02Å; L1438-F1442 HydrophobicContact CD1-CE2 3.62Å; L1438-F1442 HydrophobicContact CD1-CZ 4.36Å; L1438-F1442 HydrophobicContact CG-CD2 4.26Å; L1438-F1442 HydrophobicContact CG-CE2 4.05Å; L1438-F1442 WeakPolarHBondContact O-CD2 3.09Å; L1438-F1442 PolarHBondContact O-N 2.93Å; L1438-M1700 HydrophobicContact CD1-CE 3.77Å; L1438-M1700 HydrophobicContact CD1-CG 3.89Å; L1438-M1700 HydrophobicContact CD1-SD 3.78Å; L1438-M1704 HydrophobicContact CD2-CE 3.94Å |
| 1439 | A | 87.3 | Confident | 87.9 | Confident | 11 Ų | 11 | 20.7 Ų | 20.7 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1435 R1436 T1443 | E1435-A1439 PolarHBondContact O-N 2.81Å; R1436-A1439 PolarHBondContact O-N 3.17Å; A1439-T1443 PolarHBondContact O-N 3.2Å; A1439-T1443 PolarHBondContact O-OG1 2.86Å |
| 1440 | A | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -72.2 | -34 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1326 M1391 R1436 M1437 L1438 T1443 F1444 | L1326-A1440 HydrophobicContact CD2-CB 3.48Å; L1326-A1440 VanDerWaalsContact CD2-CB 3.48Å; M1391-A1440 HydrophobicContact CB-CB 3.99Å; M1391-A1440 HydrophobicContact CE-CB 4.35Å; M1391-A1440 HydrophobicContact CG-CB 3.64Å; R1436-A1440 WeakPolarHBondContact O-CB 3.19Å; R1436-A1440 PolarHBondContact O-N 2.67Å; M1437-A1440 CarbonylContact O-C 3.54Å; M1437-A1440 PolarHBondContact O-N 2.8Å; L1438-A1440 VanDerWaalsContact C-N 3.31Å; L1438-A1440 PolarHBondContact O-N 2.92Å; A1440-T1443 WeakPolarHBondContact O-CA 3.22Å; A1440-T1443 VanDerWaalsContact O-CB 3.26Å; A1440-T1443 WeakPolarHBondContact O-CB 3.34Å; A1440-T1443 PolarHBondContact O-N 3.03Å; A1440-T1443 VanDerWaalsContact O-N 3.11Å; A1440-F1444 PolarHBondContact O-N 3.19Å |
| 1441 | W | 93.6 | Very high | 89.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65 | -46 | 175.4 | -178.9 | 89.9 | 0 | 0 | 0 | 111.2 | M1391 M1398 T1402 L1405 M1437 L1438 T1443 F1444 L1445 C1696 Y1699 M1700 M1813 | M1391-W1441 HydrophobicContact CE-CB 3.81Å; M1398-W1441 HydrophobicContact CE-CG 4.34Å; T1402-W1441 HydrophobicContact CG2-CZ2 3.95Å; T1402-W1441 PolarHBondContact OG1-NE1 2.84Å; L1405-W1441 HydrophobicContact CD2-CB 3.67Å; L1405-W1441 HydrophobicContact CD2-CD2 3.99Å; L1405-W1441 HydrophobicContact CD2-CG 3.56Å; M1437-W1441 VanDerWaalsContact O-CB 3.23Å; M1437-W1441 WeakPolarHBondContact O-CB 2.72Å; M1437-W1441 PolarHBondContact O-N 2.81Å; L1438-W1441 HydrophobicContact CD1-CE3 4.43Å; L1438-W1441 PolarHBondContact O-N 2.8Å; W1441-T1443 VanDerWaalsContact C-N 3.29Å; W1441-T1443 PolarHBondContact O-N 3.14Å; W1441-F1444 PolarHBondContact O-N 2.84Å; W1441-L1445 HydrophobicContact CD2-CD1 3.77Å; W1441-L1445 HydrophobicContact CE3-CD1 4.24Å; W1441-L1445 HydrophobicContact CG-CD1 4.33Å; W1441-L1445 HydrophobicContact CH2-CD1 4.07Å; W1441-L1445 HydrophobicContact CZ2-CD1 3.56Å; W1441-L1445 HydrophobicContact CZ3-CD1 4.37Å; W1441-L1445 WeakPolarHBondContact O-CG 3.15Å; W1441-L1445 PolarHBondContact O-N 2.91Å; W1441-L1445 VanDerWaalsContact O-N 3.14Å; W1441-C1696 HydrophobicContact CH2-CB 3.5Å; W1441-C1696 VanDerWaalsContact CH2-CB 3.5Å; W1441-C1696 VanDerWaalsContact CH2-O 3.31Å; W1441-C1696 WeakPolarHBondContact CH2-O 3.5Å; W1441-C1696 HydrophobicContact CZ2-CB 4.19Å; W1441-C1696 HydrophobicContact CZ3-CB 3.71Å; W1441-C1696 WeakPolarHBondContact CZ3-O 3.41Å; W1441-Y1699 HydrophobicContact CH2-CD1 4.45Å; W1441-M1700 HydrophobicContact CD2-CE 4.31Å; W1441-M1700 HydrophobicContact CE3-CE 3.95Å; W1441-M1700 HydrophobicContact CH2-CB 4.07Å; W1441-M1700 HydrophobicContact CH2-CE 3.71Å; W1441-M1700 HydrophobicContact CZ2-CE 4.1Å; W1441-M1700 HydrophobicContact CZ3-CB 3.87Å; W1441-M1700 HydrophobicContact CZ3-CE 3.64Å; W1441-M1700 HydrophobicContact CZ3-CG 4.26Å; W1441-M1813 HydrophobicContact CH2-CE 4.17Å; W1441-M1813 HydrophobicContact CZ2-CE 3.85Å |
| 1442 | F | 92.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.6 | -38.2 | 167.7 | -75.7 | -58 | 0 | 0 | 0 | 111.9 | L1438 F1444 L1445 M1446 I1697 M1700 L1727 | L1438-F1442 HydrophobicContact CD1-CD2 4.02Å; L1438-F1442 HydrophobicContact CD1-CE2 3.62Å; L1438-F1442 HydrophobicContact CD1-CZ 4.36Å; L1438-F1442 HydrophobicContact CG-CD2 4.26Å; L1438-F1442 HydrophobicContact CG-CE2 4.05Å; L1438-F1442 WeakPolarHBondContact O-CD2 3.09Å; L1438-F1442 PolarHBondContact O-N 2.93Å; F1442-F1444 PolarHBondContact O-N 2.56Å; F1442-L1445 PolarHBondContact O-N 3.25Å; F1442-M1446 HydrophobicContact CB-CG 4.35Å; F1442-M1446 HydrophobicContact CD1-CG 4.47Å; F1442-M1446 WeakPolarHBondContact O-CB 3.42Å; F1442-M1446 WeakPolarHBondContact O-CG 3.34Å; F1442-M1446 PolarHBondContact O-N 2.83Å; F1442-I1697 HydrophobicContact CE1-CG1 4.3Å; F1442-M1700 HydrophobicContact CE1-CB 4.45Å; F1442-M1700 HydrophobicContact CE2-CG 4.36Å; F1442-M1700 HydrophobicContact CZ-CB 4.01Å; F1442-M1700 HydrophobicContact CZ-CG 3.84Å; F1442-L1727 HydrophobicContact CB-CD1 4.33Å; F1442-L1727 HydrophobicContact CD1-CD1 3.9Å; F1442-L1727 HydrophobicContact CD2-CD1 4.17Å; F1442-L1727 HydrophobicContact CE1-CD1 4.18Å; F1442-L1727 HydrophobicContact CE2-CB 4.15Å; F1442-L1727 HydrophobicContact CE2-CD1 4.42Å; F1442-L1727 HydrophobicContact CG-CD1 3.9Å; F1442-L1727 HydrophobicContact CZ-CB 4.24Å; F1442-L1727 HydrophobicContact CZ-CD1 4.43Å |
| 1443 | T | 89.6 | Confident | 89.6 | Confident | 4 Ų | 4 | 18.8 Ų | 18.8 | 3% | 0.025 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.1 | -48.1 | 178.2 | -59 | 0 | 0 | 0 | 0 | 111.9 | Y1321 V1325 A1439 A1440 W1441 | Y1321-T1443 HydrophobicContact CE1-CG2 3.85Å; Y1321-T1443 VanDerWaalsContact CE1-O 3.24Å; Y1321-T1443 WeakPolarHBondContact CE1-O 3.5Å; Y1321-T1443 PolarHBondContact OH-O 2.67Å; V1325-T1443 HydrophobicContact CB-CG2 3.67Å; V1325-T1443 HydrophobicContact CG1-CG2 3.52Å; V1325-T1443 WeakPolarHBondContact CG1-OG1 3.49Å; V1325-T1443 HydrophobicContact CG2-CG2 4.24Å; A1439-T1443 PolarHBondContact O-N 3.2Å; A1439-T1443 PolarHBondContact O-OG1 2.86Å; A1440-T1443 WeakPolarHBondContact O-CA 3.22Å; A1440-T1443 VanDerWaalsContact O-CB 3.26Å; A1440-T1443 WeakPolarHBondContact O-CB 3.34Å; A1440-T1443 PolarHBondContact O-N 3.03Å; A1440-T1443 VanDerWaalsContact O-N 3.11Å; W1441-T1443 VanDerWaalsContact C-N 3.29Å; W1441-T1443 PolarHBondContact O-N 3.14Å |
| 1444 | F | 91 | Very high | 89.4 | Confident | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.3 | -57.3 | 176.6 | -65.3 | -44.5 | 0 | 0 | 0 | 111.8 | Y1318 V1322 L1326 M1391 H1395 M1398 A1440 W1441 F1442 M1446 Y1447 L1828 | Y1318-F1444 AromaticContact CZ-CD1 3.95Å; Y1318-F1444 WeakPolarHBondContact OH-CD1 3.5Å; V1322-F1444 HydrophobicContact CB-CE1 4.45Å; V1322-F1444 HydrophobicContact CG1-CD1 4.3Å; V1322-F1444 HydrophobicContact CG1-CE1 3.6Å; V1322-F1444 HydrophobicContact CG2-CD1 3.77Å; V1322-F1444 HydrophobicContact CG2-CE1 3.92Å; L1326-F1444 HydrophobicContact CD1-CE1 4.12Å; L1326-F1444 HydrophobicContact CD1-CZ 4.06Å; M1391-F1444 HydrophobicContact CB-CE2 3.88Å; M1391-F1444 HydrophobicContact CB-CZ 4.35Å; M1391-F1444 HydrophobicContact CE-CD2 3.75Å; M1391-F1444 HydrophobicContact CE-CE2 3.68Å; M1391-F1444 WeakPolarHBondContact O-CE2 3.38Å; H1395-F1444 HydrophobicContact CB-CE2 4.05Å; H1395-F1444 HydrophobicContact CB-CZ 3.95Å; M1398-F1444 HydrophobicContact CE-CB 4.05Å; M1398-F1444 HydrophobicContact CE-CD2 3.84Å; M1398-F1444 HydrophobicContact CE-CG 4.42Å; M1398-F1444 HydrophobicContact SD-CD2 3.85Å; M1398-F1444 HydrophobicContact SD-CE2 4.33Å; A1440-F1444 PolarHBondContact O-N 3.19Å; W1441-F1444 PolarHBondContact O-N 2.84Å; F1442-F1444 PolarHBondContact O-N 2.56Å; F1444-M1446 VanDerWaalsContact C-N 3.29Å; F1444-M1446 PolarHBondContact O-N 3.05Å; F1444-Y1447 PolarHBondContact O-N 2.91Å; F1444-L1828 HydrophobicContact CE1-CD1 4.16Å; F1444-L1828 HydrophobicContact CZ-CD1 4.38Å |
| 1445 | L | 92.1 | Very high | 89.3 | Confident | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -75.3 | -12.7 | -169.2 | -56.4 | 178.6 | 0 | 0 | 0 | 114.6 | M1398 W1441 F1442 C1696 M1813 F1816 L1817 E1820 | M1398-L1445 HydrophobicContact CE-CD1 4.2Å; M1398-L1445 HydrophobicContact CE-CD2 3.81Å; M1398-L1445 HydrophobicContact CE-CG 3.89Å; W1441-L1445 HydrophobicContact CD2-CD1 3.77Å; W1441-L1445 HydrophobicContact CE3-CD1 4.24Å; W1441-L1445 HydrophobicContact CG-CD1 4.33Å; W1441-L1445 HydrophobicContact CH2-CD1 4.07Å; W1441-L1445 HydrophobicContact CZ2-CD1 3.56Å; W1441-L1445 HydrophobicContact CZ3-CD1 4.37Å; W1441-L1445 WeakPolarHBondContact O-CG 3.15Å; W1441-L1445 PolarHBondContact O-N 2.91Å; W1441-L1445 VanDerWaalsContact O-N 3.14Å; F1442-L1445 PolarHBondContact O-N 3.25Å; L1445-C1696 HydrophobicContact CB-CB 4Å; L1445-C1696 HydrophobicContact CD1-CB 3.63Å; L1445-C1696 HydrophobicContact CG-CB 4.48Å; L1445-M1813 HydrophobicContact CD1-CE 4.11Å; L1445-F1816 HydrophobicContact CB-CE1 4.45Å; L1445-F1816 HydrophobicContact CD1-CE1 4.48Å; L1445-F1816 HydrophobicContact CD2-CE1 4.04Å; L1445-L1817 HydrophobicContact CD1-CD2 3.66Å; L1445-L1817 HydrophobicContact CD2-CD2 3.93Å; L1445-L1817 HydrophobicContact CG-CD2 4.45Å; L1445-E1820 HydrophobicContact CD2-CB 4.14Å; L1445-E1820 HydrophobicContact CD2-CG 4.02Å |
| 1446 | M | 90.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -6.5 | 177.3 | -65 | -68.1 | -66 | 0 | 0 | 113.6 | F1442 F1444 K1448 Y1449 L1450 P1694 I1697 F1731 W1732 | F1442-M1446 HydrophobicContact CB-CG 4.35Å; F1442-M1446 HydrophobicContact CD1-CG 4.47Å; F1442-M1446 WeakPolarHBondContact O-CB 3.42Å; F1442-M1446 WeakPolarHBondContact O-CG 3.34Å; F1442-M1446 PolarHBondContact O-N 2.83Å; F1444-M1446 VanDerWaalsContact C-N 3.29Å; F1444-M1446 PolarHBondContact O-N 3.05Å; M1446-K1448 PolarHBondContact O-N 3.35Å; M1446-Y1449 HydrophobicContact CE-CD1 3.49Å; M1446-Y1449 VanDerWaalsContact CE-CD1 3.49Å; M1446-Y1449 HydrophobicContact CE-CE1 4.06Å; M1446-Y1449 HydrophobicContact CE-CG 4.1Å; M1446-Y1449 WeakPolarHBondContact O-CB 3.37Å; M1446-Y1449 PolarHBondContact O-N 3Å; M1446-Y1449 VanDerWaalsContact O-N 3.08Å; M1446-L1450 PolarHBondContact O-N 3.04Å; M1446-P1694 HydrophobicContact CE-CG 4.13Å; M1446-P1694 HydrophobicContact SD-CB 3.82Å; M1446-P1694 HydrophobicContact SD-CG 3.76Å; M1446-I1697 HydrophobicContact CE-CD1 4Å; M1446-I1697 HydrophobicContact SD-CD1 3.92Å; M1446-I1697 HydrophobicContact SD-CG1 4.07Å; M1446-F1731 HydrophobicContact CB-CE1 3.88Å; M1446-F1731 HydrophobicContact CB-CE2 4.05Å; M1446-F1731 HydrophobicContact CB-CZ 3.39Å; M1446-F1731 HydrophobicContact CE-CE1 4.03Å; M1446-F1731 HydrophobicContact CG-CE1 4.05Å; M1446-F1731 HydrophobicContact CG-CE2 4.46Å; M1446-F1731 HydrophobicContact CG-CZ 3.94Å; M1446-W1732 HydrophobicContact CE-CH2 4.27Å; M1446-W1732 HydrophobicContact CE-CZ2 3.61Å |
| 1447 | Y | 90.4 | Very high | 89.1 | Confident | 26 Ų | 26 | 19.5 Ų | 19.5 | 10% | 0.102 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.5 | -46 | -176.5 | 176.5 | -109.2 | 0 | 0 | 0 | 112.4 | L1316 Y1318 Y1321 F1444 Y1449 L1450 L1451 | L1316-Y1447 PolarHBondContact O-OH 2.91Å; Y1318-Y1447 AromaticContact CD2-CD1 3.53Å; Y1318-Y1447 HydrophobicContact CD2-CD1 3.53Å; Y1318-Y1447 HydrophobicContact CD2-CD2 4.35Å; Y1318-Y1447 HydrophobicContact CD2-CE1 4.02Å; Y1318-Y1447 AromaticContact CD2-CG 3.7Å; Y1318-Y1447 HydrophobicContact CD2-CG 3.7Å; Y1318-Y1447 HydrophobicContact CE2-CD1 4.43Å; Y1318-Y1447 HydrophobicContact CE2-CG 4.42Å; Y1318-Y1447 HydrophobicContact CG-CD1 4.33Å; Y1318-Y1447 HydrophobicContact CG-CE1 4.38Å; Y1318-Y1447 PolarHBondContact N-OH 2.83Å; Y1321-Y1447 AromaticContact CD1-CD2 3.28Å; Y1321-Y1447 HydrophobicContact CD1-CD2 3.28Å; Y1321-Y1447 AromaticContact CD1-CE2 3.95Å; Y1321-Y1447 HydrophobicContact CD1-CE2 3.95Å; Y1321-Y1447 HydrophobicContact CD1-CG 4.04Å; Y1321-Y1447 HydrophobicContact CD2-CD2 4.37Å; Y1321-Y1447 AromaticContact CE1-CD2 3.66Å; Y1321-Y1447 HydrophobicContact CE1-CD2 3.66Å; Y1321-Y1447 HydrophobicContact CE1-CG 4.11Å; Y1321-Y1447 AromaticContact CG-CD2 3.7Å; Y1321-Y1447 HydrophobicContact CG-CD2 3.7Å; Y1321-Y1447 HydrophobicContact CG-CE2 4.02Å; F1444-Y1447 PolarHBondContact O-N 2.91Å; Y1447-Y1449 VanDerWaalsContact C-N 3.29Å; Y1447-Y1449 PolarHBondContact O-N 3.49Å; Y1447-L1450 WeakPolarHBondContact O-CB 3.37Å; Y1447-L1450 PolarHBondContact O-N 3.2Å; Y1447-L1450 VanDerWaalsContact O-N 3.11Å; Y1447-L1451 HydrophobicContact CD1-CD1 3.96Å; Y1447-L1451 HydrophobicContact CD1-CG 4.41Å; Y1447-L1451 HydrophobicContact CE1-CD1 3.4Å; Y1447-L1451 HydrophobicContact CE1-CG 4.03Å; Y1447-L1451 HydrophobicContact CE2-CD2 4.34Å; Y1447-L1451 HydrophobicContact CE2-CG 4.32Å; Y1447-L1451 PolarHBondContact O-N 3.39Å |
| 1448 | K | 88 | Confident | 89.1 | Confident | 95 Ų | 95 | 19.6 Ų | 19.6 | 41% | 0.413 | 9% | 0.093 | S | C | . | . | H | α-helix | trans | -58.9 | -39.4 | 175.1 | -173.8 | 173.8 | -177.9 | 175.5 | 0 | 112.6 | M1446 L1451 E1452 | M1446-K1448 PolarHBondContact O-N 3.35Å; K1448-L1451 PolarHBondContact O-N 3.07Å; K1448-E1452 VanDerWaalsContact CE-CD 3.46Å; K1448-E1452 WeakPolarHBondContact CE-OE1 3.36Å; K1448-E1452 WeakPolarHBondContact CE-OE2 3.31Å; K1448-E1452 HydrophobicContact CG-CG 4.33Å; K1448-E1452 IonicContact NZ-OE1 3.82Å; K1448-E1452 WeakPolarHBondContact O-CB 3.42Å; K1448-E1452 WeakPolarHBondContact O-CG 3.35Å; K1448-E1452 PolarHBondContact O-N 3.23Å |
| 1449 | Y | 88.6 | Confident | 88.9 | Confident | 14 Ų | 14 | 20.2 Ų | 20.2 | 6% | 0.055 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -69.1 | -31.5 | 176.5 | -171.6 | -103.3 | 0 | 0 | 0 | 113.3 | M1446 Y1447 C1453 A1454 A1682 P1694 W1732 | M1446-Y1449 HydrophobicContact CE-CD1 3.49Å; M1446-Y1449 VanDerWaalsContact CE-CD1 3.49Å; M1446-Y1449 HydrophobicContact CE-CE1 4.06Å; M1446-Y1449 HydrophobicContact CE-CG 4.1Å; M1446-Y1449 WeakPolarHBondContact O-CB 3.37Å; M1446-Y1449 PolarHBondContact O-N 3Å; M1446-Y1449 VanDerWaalsContact O-N 3.08Å; Y1447-Y1449 VanDerWaalsContact C-N 3.29Å; Y1447-Y1449 PolarHBondContact O-N 3.49Å; Y1449-C1453 HydrophobicContact CD2-CB 3.93Å; Y1449-C1453 HydrophobicContact CE2-CB 3.79Å; Y1449-C1453 HydrophobicContact CG-CB 4.42Å; Y1449-C1453 WeakPolarHBondContact O-CA 3.42Å; Y1449-C1453 WeakPolarHBondContact O-CB 3.36Å; Y1449-C1453 PolarHBondContact O-N 2.69Å; Y1449-A1454 HydrophobicContact CD1-CB 4.02Å; Y1449-A1454 HydrophobicContact CE1-CB 3.83Å; Y1449-A1454 PolarHBondContact O-N 3.28Å; Y1449-A1682 PolarHBondContact OH-O 2.98Å; Y1449-P1694 HydrophobicContact CD1-CG 4.17Å; Y1449-P1694 HydrophobicContact CD2-CG 3.37Å; Y1449-P1694 HydrophobicContact CE2-CG 3.97Å; Y1449-P1694 HydrophobicContact CG-CG 3.46Å; Y1449-P1694 VanDerWaalsContact CG-CG 3.46Å; Y1449-W1732 HydrophobicContact CD1-CH2 4.03Å; Y1449-W1732 HydrophobicContact CD1-CZ2 4.1Å; Y1449-W1732 HydrophobicContact CE1-CH2 4.04Å; Y1449-W1732 AromaticContact CE1-CZ2 3.89Å; Y1449-W1732 HydrophobicContact CE1-CZ2 3.89Å |
| 1450 | L | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | I | π-helix | trans | -66.7 | -44.4 | 169.4 | -66.7 | 173.3 | 0 | 0 | 0 | 111 | F1315 Y1321 M1446 Y1447 A1454 G1455 F1731 W1732 L1735 V1742 | F1315-L1450 WeakPolarHBondContact CE1-O 3.26Å; Y1321-L1450 HydrophobicContact CD2-CD1 4.3Å; Y1321-L1450 HydrophobicContact CE2-CD1 3.41Å; Y1321-L1450 VanDerWaalsContact CE2-CD1 3.41Å; M1446-L1450 PolarHBondContact O-N 3.04Å; Y1447-L1450 WeakPolarHBondContact O-CB 3.37Å; Y1447-L1450 PolarHBondContact O-N 3.2Å; Y1447-L1450 VanDerWaalsContact O-N 3.11Å; L1450-A1454 HydrophobicContact CD2-CB 4.45Å; L1450-G1455 WeakPolarHBondContact O-CA 3.41Å; L1450-G1455 PolarHBondContact O-N 3.44Å; L1450-F1731 HydrophobicContact CD1-CZ 4.01Å; L1450-F1731 HydrophobicContact CD2-CZ 4.37Å; L1450-F1731 HydrophobicContact CG-CZ 4.3Å; L1450-W1732 HydrophobicContact CD2-CH2 3.79Å; L1450-W1732 HydrophobicContact CD2-CZ3 3.58Å; L1450-L1735 HydrophobicContact CD1-CD1 3.8Å; L1450-L1735 HydrophobicContact CD2-CD1 3.81Å; L1450-L1735 HydrophobicContact CG-CD1 4.44Å; L1450-V1742 HydrophobicContact CB-CG1 4.42Å; L1450-V1742 HydrophobicContact CD1-CG1 4.39Å; L1450-V1742 HydrophobicContact CD1-CG2 4.17Å |
| 1451 | L | 86.8 | Confident | 88.8 | Confident | 65 Ų | 65 | 20.5 Ų | 20.5 | 34% | 0.34 | 10% | 0.095 | S | C | . | . | I | π-helix | trans | -61.8 | -49.1 | 176.8 | -69 | 178.6 | 0 | 0 | 0 | 112.5 | F1315 Y1447 K1448 | F1315-L1451 HydrophobicContact CB-CD2 3.78Å; F1315-L1451 HydrophobicContact CD1-CD2 3.6Å; F1315-L1451 HydrophobicContact CD2-CD2 3.97Å; F1315-L1451 HydrophobicContact CE1-CD2 4.04Å; F1315-L1451 HydrophobicContact CE2-CD2 4.39Å; F1315-L1451 HydrophobicContact CG-CD2 3.53Å; F1315-L1451 HydrophobicContact CZ-CD2 4.42Å; Y1447-L1451 HydrophobicContact CD1-CD1 3.96Å; Y1447-L1451 HydrophobicContact CD1-CG 4.41Å; Y1447-L1451 HydrophobicContact CE1-CD1 3.4Å; Y1447-L1451 HydrophobicContact CE1-CG 4.03Å; Y1447-L1451 HydrophobicContact CE2-CD2 4.34Å; Y1447-L1451 HydrophobicContact CE2-CG 4.32Å; Y1447-L1451 PolarHBondContact O-N 3.39Å; K1448-L1451 PolarHBondContact O-N 3.07Å |
| 1452 | E | 83.9 | Confident | 88.6 | Confident | 120 Ų | 120 | 20.9 Ų | 20.9 | 56% | 0.561 | 10% | 0.097 | S | C | * | . | I | π-helix | trans | -88.6 | -30.1 | -167.9 | -66.1 | 177.7 | 174.1 | 0 | 0 | 114 | K1448 | K1448-E1452 VanDerWaalsContact CE-CD 3.46Å; K1448-E1452 WeakPolarHBondContact CE-OE1 3.36Å; K1448-E1452 WeakPolarHBondContact CE-OE2 3.31Å; K1448-E1452 HydrophobicContact CG-CG 4.33Å; K1448-E1452 IonicContact NZ-OE1 3.82Å; K1448-E1452 WeakPolarHBondContact O-CB 3.42Å; K1448-E1452 WeakPolarHBondContact O-CG 3.35Å; K1448-E1452 PolarHBondContact O-N 3.23Å |
| 1453 | C | 85.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 21.8 Ų | 21.8 | 1% | 0.007 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -127.7 | -63.8 | -168.9 | -172.8 | 0 | 0 | 0 | 0 | 114.2 | Y1449 P1457 H1688 | Y1449-C1453 HydrophobicContact CD2-CB 3.93Å; Y1449-C1453 HydrophobicContact CE2-CB 3.79Å; Y1449-C1453 HydrophobicContact CG-CB 4.42Å; Y1449-C1453 WeakPolarHBondContact O-CA 3.42Å; Y1449-C1453 WeakPolarHBondContact O-CB 3.36Å; Y1449-C1453 PolarHBondContact O-N 2.69Å; C1453-P1457 WeakPolarHBondContact O-CD 3.44Å; C1453-H1688 PolarHBondContact SG-ND1 2.79Å; C1453-H1688 PolarHBondContact SG-O 2.73Å; C1453-H1688 VanDerWaalsContact SG-O 3.38Å |
| 1454 | A | 86.9 | Confident | 87.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -91.2 | -21 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y1449 L1450 P1457 L1458 A1682 W1732 | Y1449-A1454 HydrophobicContact CD1-CB 4.02Å; Y1449-A1454 HydrophobicContact CE1-CB 3.83Å; Y1449-A1454 PolarHBondContact O-N 3.28Å; L1450-A1454 HydrophobicContact CD2-CB 4.45Å; A1454-P1457 WeakPolarHBondContact O-CD 3.35Å; A1454-L1458 WeakPolarHBondContact O-CB 3.25Å; A1454-L1458 PolarHBondContact O-N 3.48Å; A1454-L1458 VanDerWaalsContact O-N 3.15Å; A1454-A1682 HydrophobicContact CB-CB 4.45Å; A1454-W1732 HydrophobicContact CB-CH2 3.41Å; A1454-W1732 VanDerWaalsContact CB-CH2 3.41Å; A1454-W1732 HydrophobicContact CB-CZ2 4.4Å; A1454-W1732 HydrophobicContact CB-CZ3 3.84Å |
| 1455 | G | 87.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.5 | -33.3 | 180 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1450 L1458 F1459 F1743 | L1450-G1455 WeakPolarHBondContact O-CA 3.41Å; L1450-G1455 PolarHBondContact O-N 3.44Å; G1455-L1458 PolarHBondContact O-N 3.43Å; G1455-F1459 WeakPolarHBondContact O-CB 3.11Å; G1455-F1459 PolarHBondContact O-N 3.43Å; G1455-F1743 WeakPolarHBondContact O-CZ 3.36Å |
| 1456 | Q | 86 | Confident | 87.1 | Confident | 61 Ų | 61 | 22.2 Ų | 22.2 | 29% | 0.285 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -64.3 | -52.6 | 174.9 | 175.1 | 173.4 | 6.8 | 0 | 0 | 112.3 | I1313 L1458 F1459 M1460 | I1313-Q1456 HydrophobicContact CD1-CB 3.66Å; I1313-Q1456 HydrophobicContact CD1-CG 3.77Å; Q1456-L1458 VanDerWaalsContact C-N 3.27Å; Q1456-L1458 PolarHBondContact O-N 3.33Å; Q1456-F1459 PolarHBondContact O-N 2.81Å; Q1456-M1460 HydrophobicContact CG-CG 4.23Å; Q1456-M1460 WeakPolarHBondContact O-CB 3.47Å; Q1456-M1460 VanDerWaalsContact O-CG 3.28Å; Q1456-M1460 WeakPolarHBondContact O-CG 3.08Å; Q1456-M1460 PolarHBondContact O-N 2.87Å |
| 1457 | P | 88.6 | Confident | 86.6 | Confident | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.013 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -53.5 | -40.9 | 171.5 | -28.4 | 35.4 | 0 | 0 | 0 | 113.6 | C1453 A1454 M1460 L1461 L1679 A1682 | C1453-P1457 WeakPolarHBondContact O-CD 3.44Å; A1454-P1457 WeakPolarHBondContact O-CD 3.35Å; P1457-M1460 PolarHBondContact O-N 3.03Å; P1457-L1461 WeakPolarHBondContact O-CB 3.29Å; P1457-L1461 PolarHBondContact O-N 3.26Å; P1457-L1679 HydrophobicContact CB-CB 4.14Å; P1457-L1679 HydrophobicContact CB-CD1 4.09Å; P1457-A1682 HydrophobicContact CB-CB 4.31Å; P1457-A1682 HydrophobicContact CG-CB 3.89Å |
| 1458 | L | 90.9 | Very high | 86.1 | Confident | 2 Ų | 2 | 23.2 Ų | 23.2 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.1 | -42.5 | 178 | -178.1 | 64.7 | 0 | 0 | 0 | 112.6 | A1454 G1455 Q1456 Y1462 L1679 L1735 I1736 V1742 F1743 | A1454-L1458 WeakPolarHBondContact O-CB 3.25Å; A1454-L1458 PolarHBondContact O-N 3.48Å; A1454-L1458 VanDerWaalsContact O-N 3.15Å; G1455-L1458 PolarHBondContact O-N 3.43Å; Q1456-L1458 VanDerWaalsContact C-N 3.27Å; Q1456-L1458 PolarHBondContact O-N 3.33Å; L1458-Y1462 PolarHBondContact O-N 2.97Å; L1458-L1679 HydrophobicContact CB-CD1 4.01Å; L1458-L1679 HydrophobicContact CD1-CD2 3.92Å; L1458-L1735 HydrophobicContact CD2-CB 4.29Å; L1458-I1736 HydrophobicContact CD1-CG1 4.1Å; L1458-V1742 HydrophobicContact CD2-CG2 4.37Å; L1458-F1743 HydrophobicContact CB-CE2 4.41Å; L1458-F1743 HydrophobicContact CB-CZ 4.2Å; L1458-F1743 HydrophobicContact CD2-CE2 3.98Å; L1458-F1743 HydrophobicContact CD2-CZ 4.15Å; L1458-F1743 HydrophobicContact CG-CE2 3.95Å; L1458-F1743 HydrophobicContact CG-CZ 4.19Å |
| 1459 | F | 88.8 | Confident | 85.8 | Confident | 17 Ų | 17 | 18.8 Ų | 18.8 | 8% | 0.075 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -66.4 | -42.5 | 175.7 | -174 | -100.1 | 0 | 0 | 0 | 111.7 | T1308 I1313 P1314 G1455 Q1456 Y1462 W1463 F1743 I1745 | T1308-F1459 HydrophobicContact CG2-CE1 4.34Å; I1313-F1459 HydrophobicContact CD1-CB 4.36Å; I1313-F1459 HydrophobicContact CD1-CD1 4.32Å; I1313-F1459 HydrophobicContact CG1-CD1 3.92Å; I1313-F1459 HydrophobicContact CG1-CE1 4.33Å; I1313-F1459 HydrophobicContact CG1-CG 4.32Å; I1313-F1459 HydrophobicContact CG2-CB 4.08Å; I1313-F1459 HydrophobicContact CG2-CD1 4.13Å; I1313-F1459 HydrophobicContact CG2-CD2 3.85Å; I1313-F1459 HydrophobicContact CG2-CE2 4.31Å; I1313-F1459 HydrophobicContact CG2-CG 3.75Å; P1314-F1459 HydrophobicContact CG-CE2 4.03Å; P1314-F1459 HydrophobicContact CG-CZ 4.28Å; G1455-F1459 WeakPolarHBondContact O-CB 3.11Å; G1455-F1459 PolarHBondContact O-N 3.43Å; Q1456-F1459 PolarHBondContact O-N 2.81Å; F1459-Y1462 HydrophobicContact CD2-CD1 4.46Å; F1459-Y1462 HydrophobicContact CE2-CD1 4.46Å; F1459-Y1462 WeakPolarHBondContact O-CB 3.31Å; F1459-Y1462 PolarHBondContact O-N 3.21Å; F1459-W1463 PolarHBondContact O-N 2.9Å; F1459-F1743 HydrophobicContact CB-CD1 4.4Å; F1459-F1743 HydrophobicContact CB-CE1 3.87Å; F1459-F1743 HydrophobicContact CB-CE2 4.07Å; F1459-F1743 HydrophobicContact CB-CZ 3.71Å; F1459-F1743 HydrophobicContact CD2-CB 4.27Å; F1459-F1743 AromaticContact CD2-CD1 3.89Å; F1459-F1743 HydrophobicContact CD2-CD1 3.89Å; F1459-F1743 AromaticContact CD2-CD2 3.93Å; F1459-F1743 HydrophobicContact CD2-CD2 3.93Å; F1459-F1743 HydrophobicContact CD2-CE1 4.21Å; F1459-F1743 HydrophobicContact CD2-CE2 4.28Å; F1459-F1743 AromaticContact CD2-CG 3.75Å; F1459-F1743 HydrophobicContact CD2-CG 3.75Å; F1459-F1743 HydrophobicContact CD2-CZ 4.42Å; F1459-F1743 HydrophobicContact CE2-CG 4.44Å; F1459-F1743 HydrophobicContact CG-CE1 4.45Å; F1459-I1745 HydrophobicContact CE2-CG2 3.97Å |
| 1460 | M | 85.8 | Confident | 85.5 | Confident | 17 Ų | 17 | 19.3 Ų | 19.3 | 8% | 0.084 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 176.7 | -69.1 | -52.4 | -45.6 | 0 | 0 | 111.8 | T1305 T1308 Q1456 P1457 W1463 A1464 F1675 | T1305-M1460 HydrophobicContact CG2-CE 3.56Å; T1308-M1460 HydrophobicContact CG2-SD 4.43Å; Q1456-M1460 HydrophobicContact CG-CG 4.23Å; Q1456-M1460 WeakPolarHBondContact O-CB 3.47Å; Q1456-M1460 VanDerWaalsContact O-CG 3.28Å; Q1456-M1460 WeakPolarHBondContact O-CG 3.08Å; Q1456-M1460 PolarHBondContact O-N 2.87Å; P1457-M1460 PolarHBondContact O-N 3.03Å; M1460-W1463 PolarHBondContact O-N 2.94Å; M1460-A1464 WeakPolarHBondContact O-CB 3.36Å; M1460-A1464 PolarHBondContact O-N 2.85Å; M1460-F1675 HydrophobicContact CB-CD1 3.87Å; M1460-F1675 HydrophobicContact CB-CE1 3.95Å; M1460-F1675 HydrophobicContact CE-CE1 4.15Å |
| 1461 | L | 88.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62 | -47 | 172.6 | 177.4 | 68.1 | 0 | 0 | 0 | 111.6 | P1457 W1463 A1464 I1465 F1675 V1676 L1679 V1758 | P1457-L1461 WeakPolarHBondContact O-CB 3.29Å; P1457-L1461 PolarHBondContact O-N 3.26Å; L1461-W1463 VanDerWaalsContact C-N 3.35Å; L1461-W1463 PolarHBondContact O-N 2.91Å; L1461-A1464 PolarHBondContact O-N 3.39Å; L1461-I1465 HydrophobicContact CD1-CD1 3.73Å; L1461-I1465 HydrophobicContact CD1-CG1 4.07Å; L1461-I1465 HydrophobicContact CD2-CD1 4.47Å; L1461-I1465 HydrophobicContact CG-CD1 3.8Å; L1461-I1465 HydrophobicContact CG-CG1 4.44Å; L1461-I1465 WeakPolarHBondContact O-CB 3.5Å; L1461-I1465 VanDerWaalsContact O-CG1 3.23Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.44Å; L1461-I1465 PolarHBondContact O-N 2.81Å; L1461-F1675 HydrophobicContact CB-CB 4.18Å; L1461-F1675 HydrophobicContact CD1-CB 3.6Å; L1461-V1676 HydrophobicContact CD1-CG2 3.96Å; L1461-L1679 HydrophobicContact CD2-CD2 3.46Å; L1461-L1679 VanDerWaalsContact CD2-CD2 3.46Å; L1461-V1758 HydrophobicContact CD2-CG1 3.97Å |
| 1462 | Y | 89.5 | Confident | 84.8 | Confident | 8 Ų | 8 | 18.2 Ų | 18.2 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.4 | -49.2 | 175.6 | 161.1 | -101.7 | 0 | 0 | 0 | 111.5 | L1458 F1459 I1465 K1466 P1739 I1745 P1748 I1751 | L1458-Y1462 PolarHBondContact O-N 2.97Å; F1459-Y1462 HydrophobicContact CD2-CD1 4.46Å; F1459-Y1462 HydrophobicContact CE2-CD1 4.46Å; F1459-Y1462 WeakPolarHBondContact O-CB 3.31Å; F1459-Y1462 PolarHBondContact O-N 3.21Å; Y1462-I1465 PolarHBondContact O-N 2.91Å; Y1462-K1466 WeakPolarHBondContact O-CB 3.26Å; Y1462-K1466 PolarHBondContact O-N 2.92Å; Y1462-P1739 HydrophobicContact CD2-CG 3.9Å; Y1462-P1739 HydrophobicContact CG-CG 4.35Å; Y1462-I1745 HydrophobicContact CD1-CD1 3.85Å; Y1462-I1745 HydrophobicContact CD2-CD1 3.9Å; Y1462-I1745 HydrophobicContact CE1-CB 4.16Å; Y1462-I1745 HydrophobicContact CE1-CD1 3.65Å; Y1462-I1745 HydrophobicContact CE1-CG2 3.9Å; Y1462-I1745 HydrophobicContact CE2-CD1 3.74Å; Y1462-I1745 HydrophobicContact CG-CD1 3.98Å; Y1462-P1748 HydrophobicContact CD2-CB 4.34Å; Y1462-P1748 HydrophobicContact CE2-CB 3.94Å; Y1462-I1751 HydrophobicContact CD2-CD1 3.64Å; Y1462-I1751 HydrophobicContact CE2-CD1 3.74Å |
| 1463 | W | 84 | Confident | 84.9 | Confident | 19 Ų | 19 | 12.6 Ų | 12.6 | 7% | 0.072 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -69.6 | -40.5 | -178.4 | -162.6 | -108.2 | 0 | 0 | 0 | 112.6 | W1304 F1459 M1460 L1461 K1466 Q1467 D1533 | W1304-W1463 AromaticContact CD2-NE1 3.88Å; W1304-W1463 HydrophobicContact CE3-CZ2 4.49Å; W1304-W1463 AromaticContact CE3-NE1 3.4Å; W1304-W1463 AromaticContact CH2-CZ2 3.74Å; W1304-W1463 HydrophobicContact CH2-CZ2 3.74Å; W1304-W1463 AromaticContact CZ3-CE2 3.84Å; W1304-W1463 AromaticContact CZ3-CZ2 3.69Å; W1304-W1463 HydrophobicContact CZ3-CZ2 3.69Å; W1304-W1463 AromaticContact CZ3-NE1 3.49Å; F1459-W1463 PolarHBondContact O-N 2.9Å; M1460-W1463 PolarHBondContact O-N 2.94Å; L1461-W1463 VanDerWaalsContact C-N 3.35Å; L1461-W1463 PolarHBondContact O-N 2.91Å; W1463-K1466 HydrophobicContact CE3-CD 4.12Å; W1463-K1466 HydrophobicContact CZ3-CD 3.96Å; W1463-K1466 PolarHBondContact O-N 2.89Å; W1463-Q1467 WeakPolarHBondContact O-CB 3.06Å; W1463-Q1467 WeakPolarHBondContact O-CG 3.32Å; W1463-Q1467 PolarHBondContact O-N 2.81Å; W1463-D1533 HydrophobicContact CH2-CB 4.46Å |
| 1464 | A | 79.3 | Confident | 85.1 | Confident | 4 Ų | 4 | 12.8 Ų | 12.8 | 3% | 0.033 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | M1460 L1461 Q1468 L1672 F1675 | M1460-A1464 WeakPolarHBondContact O-CB 3.36Å; M1460-A1464 PolarHBondContact O-N 2.85Å; L1461-A1464 PolarHBondContact O-N 3.39Å; A1464-Q1468 VanDerWaalsContact O-CB 3.28Å; A1464-Q1468 WeakPolarHBondContact O-CB 3.23Å; A1464-Q1468 PolarHBondContact O-N 2.58Å; A1464-L1672 HydrophobicContact CB-CD2 3.75Å; A1464-F1675 HydrophobicContact CB-CD1 4.1Å; A1464-F1675 HydrophobicContact CB-CD2 3.61Å; A1464-F1675 HydrophobicContact CB-CE1 4.29Å; A1464-F1675 HydrophobicContact CB-CE2 3.83Å; A1464-F1675 HydrophobicContact CB-CG 3.77Å; A1464-F1675 HydrophobicContact CB-CZ 4.18Å |
| 1465 | I | 84.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 174.1 | -68.3 | 171.3 | 0 | 0 | 0 | 110.6 | L1461 Y1462 Q1468 V1469 L1672 I1751 C1754 L1755 V1758 | L1461-I1465 HydrophobicContact CD1-CD1 3.73Å; L1461-I1465 HydrophobicContact CD1-CG1 4.07Å; L1461-I1465 HydrophobicContact CD2-CD1 4.47Å; L1461-I1465 HydrophobicContact CG-CD1 3.8Å; L1461-I1465 HydrophobicContact CG-CG1 4.44Å; L1461-I1465 WeakPolarHBondContact O-CB 3.5Å; L1461-I1465 VanDerWaalsContact O-CG1 3.23Å; L1461-I1465 WeakPolarHBondContact O-CG1 3.44Å; L1461-I1465 PolarHBondContact O-N 2.81Å; Y1462-I1465 PolarHBondContact O-N 2.91Å; I1465-Q1468 PolarHBondContact O-N 2.86Å; I1465-V1469 HydrophobicContact CG2-CG2 4.48Å; I1465-V1469 WeakPolarHBondContact O-CB 3.4Å; I1465-V1469 WeakPolarHBondContact O-CG2 3.38Å; I1465-V1469 PolarHBondContact O-N 2.89Å; I1465-L1672 HydrophobicContact CG1-CD1 3.97Å; I1465-L1672 HydrophobicContact CG1-CD2 3.9Å; I1465-I1751 HydrophobicContact CB-CD1 4.17Å; I1465-I1751 HydrophobicContact CG2-CB 3.7Å; I1465-I1751 HydrophobicContact CG2-CD1 3.79Å; I1465-I1751 HydrophobicContact CG2-CG1 4.27Å; I1465-I1751 HydrophobicContact CG2-CG2 4.03Å; I1465-C1754 HydrophobicContact CD1-CB 4.33Å; I1465-C1754 HydrophobicContact CG2-CB 3.38Å; I1465-L1755 HydrophobicContact CD1-CD2 3.64Å; I1465-L1755 HydrophobicContact CD1-CG 4.32Å; I1465-V1758 HydrophobicContact CD1-CG2 4.4Å |
| 1466 | K | 86.4 | Confident | 85 | Confident | 16 Ų | 16 | 14 Ų | 14 | 7% | 0.07 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.5 | -53 | 177.8 | -175.9 | -177.2 | 171.5 | -177.3 | 0 | 111.4 | Y1462 W1463 Q1468 V1469 E1470 D1533 I1751 | Y1462-K1466 WeakPolarHBondContact O-CB 3.26Å; Y1462-K1466 PolarHBondContact O-N 2.92Å; W1463-K1466 HydrophobicContact CE3-CD 4.12Å; W1463-K1466 HydrophobicContact CZ3-CD 3.96Å; W1463-K1466 PolarHBondContact O-N 2.89Å; K1466-Q1468 PolarHBondContact O-N 2.85Å; K1466-V1469 PolarHBondContact O-N 3.48Å; K1466-E1470 WeakPolarHBondContact CE-OE1 3.33Å; K1466-E1470 WeakPolarHBondContact CE-OE2 3.07Å; K1466-E1470 WeakPolarHBondContact O-CB 3.35Å; K1466-E1470 WeakPolarHBondContact O-CG 3.42Å; K1466-E1470 PolarHBondContact O-N 3.43Å; K1466-D1533 IonicContact NZ-OD1 3.61Å; K1466-D1533 PolarHBondContact NZ-OD1 2.63Å; K1466-D1533 IonicContact NZ-OD2 3.19Å; K1466-D1533 PolarHBondContact NZ-OD2 3.22Å; K1466-I1751 HydrophobicContact CB-CD1 4.27Å |
| 1467 | Q | 80.2 | Confident | 85 | Confident | 44 Ų | 44 | 15.1 Ų | 15.1 | 21% | 0.206 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -56.4 | -47.5 | 176 | -76.7 | -76.7 | -17.7 | 0 | 0 | 111.9 | W1463 V1469 E1470 K1471 | W1463-Q1467 WeakPolarHBondContact O-CB 3.06Å; W1463-Q1467 WeakPolarHBondContact O-CG 3.32Å; W1463-Q1467 PolarHBondContact O-N 2.81Å; Q1467-V1469 VanDerWaalsContact C-N 3.32Å; Q1467-V1469 PolarHBondContact O-N 3.02Å; Q1467-E1470 PolarHBondContact O-N 3.17Å; Q1467-K1471 WeakPolarHBondContact O-CG 3.01Å; Q1467-K1471 PolarHBondContact O-N 2.82Å |
| 1468 | Q | 79.1 | Confident | 84.7 | Confident | 3 Ų | 3 | 16.9 Ų | 16.9 | 1% | 0.014 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.4 | -44.4 | 178.6 | -177 | 65 | 15.4 | 0 | 0 | 111.8 | A1464 I1465 K1466 Y1483 K1668 T1671 L1672 | A1464-Q1468 VanDerWaalsContact O-CB 3.28Å; A1464-Q1468 WeakPolarHBondContact O-CB 3.23Å; A1464-Q1468 PolarHBondContact O-N 2.58Å; I1465-Q1468 PolarHBondContact O-N 2.86Å; K1466-Q1468 PolarHBondContact O-N 2.85Å; Q1468-Y1483 VanDerWaalsContact O-CB 3.23Å; Q1468-Y1483 WeakPolarHBondContact O-CB 3.34Å; Q1468-Y1483 WeakPolarHBondContact O-CD2 3.05Å; Q1468-K1668 PolarHBondContact NE2-O 2.77Å; Q1468-T1671 PolarHBondContact OE1-OG1 2.03Å; Q1468-L1672 HydrophobicContact CB-CD1 4.22Å; Q1468-L1672 HydrophobicContact CB-CD2 4.42Å; Q1468-L1672 HydrophobicContact CG-CD1 4.06Å; Q1468-L1672 HydrophobicContact CG-CG 4.48Å |
| 1469 | V | 82.2 | Confident | 84.4 | Confident | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.012 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | 178.7 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | I1465 K1466 Q1467 A1481 Y1483 I1751 | I1465-V1469 HydrophobicContact CG2-CG2 4.48Å; I1465-V1469 WeakPolarHBondContact O-CB 3.4Å; I1465-V1469 WeakPolarHBondContact O-CG2 3.38Å; I1465-V1469 PolarHBondContact O-N 2.89Å; K1466-V1469 PolarHBondContact O-N 3.48Å; Q1467-V1469 VanDerWaalsContact C-N 3.32Å; Q1467-V1469 PolarHBondContact O-N 3.02Å; V1469-A1481 HydrophobicContact CG1-CB 3.68Å; V1469-Y1483 WeakPolarHBondContact CG2-O 3.41Å; V1469-I1751 HydrophobicContact CB-CG2 3.99Å; V1469-I1751 HydrophobicContact CG1-CG2 4.08Å; V1469-I1751 HydrophobicContact CG2-CG2 3.92Å |
| 1470 | E | 83.6 | Confident | 84.1 | Confident | 25 Ų | 25 | 21.5 Ų | 21.5 | 12% | 0.117 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -78.1 | -16.6 | -177.3 | -75.1 | 174.5 | 177.1 | 0 | 0 | 114.7 | K1466 Q1467 G1472 K1530 | K1466-E1470 WeakPolarHBondContact CE-OE1 3.33Å; K1466-E1470 WeakPolarHBondContact CE-OE2 3.07Å; K1466-E1470 WeakPolarHBondContact O-CB 3.35Å; K1466-E1470 WeakPolarHBondContact O-CG 3.42Å; K1466-E1470 PolarHBondContact O-N 3.43Å; Q1467-E1470 PolarHBondContact O-N 3.17Å; E1470-G1472 PolarHBondContact O-N 3.17Å; E1470-K1530 PolarHBondContact O-NZ 3.45Å |
| 1471 | K | 79.8 | Confident | 84 | Confident | 42 Ų | 42 | 20.7 Ų | 20.7 | 18% | 0.183 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -14.4 | 172.9 | -79.9 | -170.4 | -167.9 | -157.8 | 0 | 114.3 | L1297 D1300 Q1467 Y1483 | L1297-K1471 HydrophobicContact CD2-CD 4.06Å; L1297-K1471 HydrophobicContact CG-CD 4.44Å; D1300-K1471 WeakPolarHBondContact OD2-CE 3.5Å; D1300-K1471 IonicContact OD2-NZ 2.64Å; D1300-K1471 PolarHBondContact OD2-NZ 3.11Å; Q1467-K1471 WeakPolarHBondContact O-CG 3.01Å; Q1467-K1471 PolarHBondContact O-N 2.82Å; K1471-Y1483 HydrophobicContact CB-CD2 4.1Å; K1471-Y1483 HydrophobicContact CB-CE2 4.14Å |
| 1472 | G | 80.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -130.2 | 172.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1470 Q1474 Y1483 L1519 | E1470-G1472 PolarHBondContact O-N 3.17Å; G1472-Q1474 PolarHBondContact O-N 3.28Å; G1472-Y1483 VanDerWaalsContact CA-CE2 3.45Å; G1472-L1519 WeakPolarHBondContact O-CD1 3.24Å |
| 1473 | P | 87.1 | Confident | 83 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.013 | 12% | 0.116 | C | C | . | . | trans | -55.9 | 130.1 | 179.5 | -24.8 | 32.2 | 0 | 0 | 0 | 111.4 | A1481 R1482 I1491 I1495 F1497 L1651 | P1473-A1481 CarbonylContact O-C 3.37Å; P1473-A1481 WeakPolarHBondContact O-CA 3.21Å; P1473-R1482 PolarHBondContact O-N 3.16Å; P1473-I1491 HydrophobicContact CB-CD1 4.37Å; P1473-I1491 VanDerWaalsContact O-CD1 3.32Å; P1473-I1491 WeakPolarHBondContact O-CD1 3.4Å; P1473-I1495 HydrophobicContact CB-CG2 4.25Å; P1473-I1495 HydrophobicContact CG-CB 4.39Å; P1473-I1495 HydrophobicContact CG-CG2 4.21Å; P1473-F1497 VanDerWaalsContact CD-CE1 3.47Å; P1473-F1497 HydrophobicContact CG-CB 3.9Å; P1473-F1497 HydrophobicContact CG-CD1 3.23Å; P1473-F1497 HydrophobicContact CG-CD2 4.16Å; P1473-F1497 HydrophobicContact CG-CE1 3.7Å; P1473-F1497 HydrophobicContact CG-CG 3.5Å; P1473-F1497 VanDerWaalsContact CG-CG 3.5Å; P1473-F1497 HydrophobicContact CG-CZ 4.34Å; P1473-L1651 HydrophobicContact CB-CD1 3.48Å; P1473-L1651 VanDerWaalsContact CB-CD1 3.48Å | ||
| 1474 | Q | 87.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.023 | 11% | 0.114 | C | C | . | . | B | Isolated β-bridge | trans | -124.6 | 126.2 | 174.9 | 172.2 | 179.2 | 73.4 | 0 | 0 | 109.3 | G1472 A1476 A1481 Q1526 H1650 L1651 | G1472-Q1474 PolarHBondContact O-N 3.28Å; Q1474-A1476 PolarHBondContact O-N 2.91Å; Q1474-A1481 HydrophobicContact CB-CB 4.23Å; Q1474-A1481 HydrophobicContact CG-CB 4.43Å; Q1474-Q1526 PolarHBondContact O-NE2 3Å; Q1474-H1650 PolarHBondContact O-CE1 3.06Å; Q1474-H1650 PolarHBondContact O-ND1 2.99Å; Q1474-L1651 VanDerWaalsContact C-CD1 3.46Å; Q1474-L1651 WeakPolarHBondContact O-CD1 3.37Å |
| 1475 | D | 88.5 | Confident | 82.4 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | trans | -72.7 | 123.9 | 172.6 | -168 | -72.9 | 0 | 0 | 0 | 109.4 | L1477 L1478 Y1479 D1480 L1651 V1652 | D1475-L1477 PolarHBondContact O-N 2.96Å; D1475-L1477 WeakPolarHBondContact OD1-CA 3.28Å; D1475-L1477 WeakPolarHBondContact OD1-CB 3.07Å; D1475-L1477 PolarHBondContact OD1-N 2.9Å; D1475-L1478 HydrophobicContact CB-CB 4.14Å; D1475-L1478 PolarHBondContact OD1-N 2.91Å; D1475-Y1479 WeakPolarHBondContact O-CA 3.35Å; D1475-Y1479 PolarHBondContact O-N 2.93Å; D1475-D1480 PolarHBondContact N-O 2.83Å; D1475-L1651 HydrophobicContact CB-CB 4.15Å; D1475-L1651 WeakPolarHBondContact OD2-CA 3.25Å; D1475-L1651 WeakPolarHBondContact OD2-CB 3.38Å; D1475-L1651 PolarHBondContact OD2-N 3.34Å; D1475-V1652 PolarHBondContact OD2-N 3.02Å | ||
| 1476 | A | 85.6 | Confident | 82 | Confident | 25 Ų | 25 | 24.7 Ų | 24.7 | 21% | 0.207 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -13.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q1474 T1523 Q1526 H1650 | Q1474-A1476 PolarHBondContact O-N 2.91Å; A1476-T1523 HydrophobicContact CB-CG2 3.66Å; A1476-Q1526 HydrophobicContact CB-CG 4.35Å; A1476-H1650 HydrophobicContact CB-CB 4.19Å; A1476-H1650 PolarHBondContact N-ND1 3.02Å |
| 1477 | L | 85.1 | Confident | 81.2 | Confident | 84 Ų | 84 | 26.8 Ų | 26.8 | 44% | 0.44 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -39.5 | -176.5 | -59.2 | 173.1 | 0 | 0 | 0 | 112.1 | D1475 I1580 V1648 | D1475-L1477 PolarHBondContact O-N 2.96Å; D1475-L1477 WeakPolarHBondContact OD1-CA 3.28Å; D1475-L1477 WeakPolarHBondContact OD1-CB 3.07Å; D1475-L1477 PolarHBondContact OD1-N 2.9Å; L1477-I1580 HydrophobicContact CD1-CD1 4.01Å; L1477-I1580 HydrophobicContact CD2-CD1 4.11Å; L1477-I1580 HydrophobicContact CG-CD1 4.05Å; L1477-V1648 HydrophobicContact CD1-CG1 4.28Å; L1477-V1648 WeakPolarHBondContact CD1-O 2.97Å |
| 1478 | L | 82.7 | Confident | 81 | Confident | 39 Ų | 39 | 33 Ų | 33 | 20% | 0.204 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -22 | 178.7 | -60.3 | 175.8 | 0 | 0 | 0 | 112.6 | D1475 D1480 K1489 V1652 | D1475-L1478 HydrophobicContact CB-CB 4.14Å; D1475-L1478 PolarHBondContact OD1-N 2.91Å; L1478-D1480 HydrophobicContact CB-CB 4.3Å; L1478-D1480 PolarHBondContact O-N 3.07Å; L1478-K1489 PolarHBondContact O-NZ 3.46Å; L1478-V1652 HydrophobicContact CD1-CB 4.04Å; L1478-V1652 HydrophobicContact CD1-CG1 4.29Å |
| 1479 | Y | 83.4 | Confident | 80.9 | Confident | 101 Ų | 101 | 36.1 Ų | 36.1 | 40% | 0.396 | 17% | 0.17 | S | C | . | . | trans | 60.4 | 13.7 | -168.3 | -47.3 | -61.1 | 0 | 0 | 0 | 114.3 | D1475 K1750 | D1475-Y1479 WeakPolarHBondContact O-CA 3.35Å; D1475-Y1479 PolarHBondContact O-N 2.93Å; Y1479-K1750 HydrophobicContact CD1-CG 4.16Å | ||
| 1480 | D | 83.2 | Confident | 80.5 | Confident | 14 Ų | 14 | 38.7 Ų | 38.7 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | trans | -73.9 | 141.7 | 171.2 | -57 | -14.5 | 0 | 0 | 0 | 108.5 | D1475 L1478 K1489 I1491 | D1475-D1480 PolarHBondContact N-O 2.83Å; L1478-D1480 HydrophobicContact CB-CB 4.3Å; L1478-D1480 PolarHBondContact O-N 3.07Å; D1480-K1489 CarbonylContact C-O 3.39Å; D1480-K1489 WeakPolarHBondContact CA-O 3.41Å; D1480-K1489 WeakPolarHBondContact OD1-CD 3.48Å; D1480-K1489 IonicContact OD1-NZ 3.41Å; D1480-K1489 PolarHBondContact OD1-NZ 2.83Å; D1480-I1491 HydrophobicContact CB-CG1 4.03Å | ||
| 1481 | A | 83.7 | Confident | 80.2 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.008 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -135.7 | 153.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | V1469 P1473 Q1474 Y1483 K1489 L1490 I1491 | V1469-A1481 HydrophobicContact CG1-CB 3.68Å; P1473-A1481 CarbonylContact O-C 3.37Å; P1473-A1481 WeakPolarHBondContact O-CA 3.21Å; Q1474-A1481 HydrophobicContact CB-CB 4.23Å; Q1474-A1481 HydrophobicContact CG-CB 4.43Å; A1481-Y1483 PolarHBondContact O-N 2.69Å; A1481-K1489 PolarHBondContact N-O 2.86Å; A1481-L1490 WeakPolarHBondContact O-CA 3.36Å; A1481-I1491 PolarHBondContact O-N 2.99Å; A1481-I1491 VanDerWaalsContact O-N 3.09Å |
| 1482 | R | 79.7 | Confident | 79.6 | Confident | 56 Ų | 56 | 43.6 Ų | 43.6 | 21% | 0.211 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -28.2 | 178 | -173.2 | 57.8 | 177.4 | -163.8 | 1.5 | 112.8 | P1473 L1490 I1491 Q1493 | P1473-R1482 PolarHBondContact O-N 3.16Å; R1482-L1490 WeakPolarHBondContact O-CD1 3.5Å; R1482-I1491 PolarHBondContact NH1-O 2.84Å; R1482-I1491 VanDerWaalsContact NH1-O 3.1Å; R1482-Q1493 PolarHBondContact NH1-O 3.42Å |
| 1483 | Y | 76.3 | Confident | 79.2 | Confident | 36 Ų | 36 | 46.4 Ų | 46.4 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 43.8 | -178.8 | -57.7 | -41.8 | 0 | 0 | 0 | 112.7 | Q1468 V1469 K1471 G1472 A1481 K1668 M1669 | Q1468-Y1483 VanDerWaalsContact O-CB 3.23Å; Q1468-Y1483 WeakPolarHBondContact O-CB 3.34Å; Q1468-Y1483 WeakPolarHBondContact O-CD2 3.05Å; V1469-Y1483 WeakPolarHBondContact CG2-O 3.41Å; K1471-Y1483 HydrophobicContact CB-CD2 4.1Å; K1471-Y1483 HydrophobicContact CB-CE2 4.14Å; G1472-Y1483 VanDerWaalsContact CA-CE2 3.45Å; A1481-Y1483 PolarHBondContact O-N 2.69Å; Y1483-K1668 HydrophobicContact CE1-CB 4.34Å; Y1483-K1668 HydrophobicContact CE1-CD 4.42Å; Y1483-M1669 VanDerWaalsContact C-CE 3.41Å |
| 1484 | S | 75.6 | Confident | 78.6 | Confident | 5 Ų | 5 | 52.5 Ų | 52.5 | 4% | 0.035 | 25% | 0.25 | C | S | . | . | trans | -94.7 | 128.1 | 174.7 | -176.2 | 0 | 0 | 0 | 0 | 113 | S1486 K1489 L1490 M1669 | S1484-S1486 PolarHBondContact O-N 2.82Å; S1484-S1486 VanDerWaalsContact O-N 3.14Å; S1484-S1486 PolarHBondContact OG-N 2.82Å; S1484-K1489 WeakPolarHBondContact CB-O 3.47Å; S1484-K1489 WeakPolarHBondContact OG-CB 3.35Å; S1484-K1489 PolarHBondContact OG-O 3.18Å; S1484-L1490 WeakPolarHBondContact O-CD1 3.28Å; S1484-M1669 VanDerWaalsContact C-CE 3.45Å; S1484-M1669 WeakPolarHBondContact O-CE 3.2Å | ||
| 1485 | L | 75.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 54 Ų | 54 | 4% | 0.037 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -62.3 | -16 | 174.3 | -70.2 | 175 | 0 | 0 | 0 | 113.7 | M1669 L1672 C1754 V1758 L1783 | L1485-M1669 HydrophobicContact CD2-CB 4.11Å; L1485-M1669 HydrophobicContact CD2-CG 3.78Å; L1485-M1669 HydrophobicContact CD2-SD 3.98Å; L1485-L1672 HydrophobicContact CD1-CB 4.48Å; L1485-L1672 HydrophobicContact CD1-CD1 3.6Å; L1485-L1672 HydrophobicContact CD2-CD1 4.16Å; L1485-L1672 HydrophobicContact CG-CD1 3.83Å; L1485-C1754 HydrophobicContact CB-CB 4.12Å; L1485-C1754 HydrophobicContact CD1-CB 4.26Å; L1485-C1754 HydrophobicContact CG-CB 4.45Å; L1485-C1754 PolarHBondContact N-SG 2.86Å; L1485-V1758 HydrophobicContact CD1-CG2 4.46Å; L1485-L1783 HydrophobicContact CB-CD1 4.34Å; L1485-L1783 HydrophobicContact CD2-CD1 3.96Å; L1485-L1783 WeakPolarHBondContact O-CD1 3.48Å |
| 1486 | S | 76.9 | Confident | 77.8 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 7% | 0.07 | 30% | 0.298 | C | S | . | . | trans | -95.6 | 123.6 | 177.3 | 176 | 0 | 0 | 0 | 0 | 111.4 | S1484 E1488 K1489 L1490 | S1484-S1486 PolarHBondContact O-N 2.82Å; S1484-S1486 VanDerWaalsContact O-N 3.14Å; S1484-S1486 PolarHBondContact OG-N 2.82Å; S1486-E1488 PolarHBondContact O-N 2.75Å; S1486-E1488 PolarHBondContact OG-N 3.1Å; S1486-K1489 CarbonylContact O-C 3.59Å; S1486-K1489 WeakPolarHBondContact O-CA 3.47Å; S1486-K1489 PolarHBondContact O-N 3.31Å; S1486-L1490 PolarHBondContact O-N 2.81Å | ||
| 1487 | E | 68.5 | Low | 77.8 | Confident | 61 Ų | 61 | 64.1 Ų | 64.1 | 29% | 0.285 | 30% | 0.3 | S | S | . | . | G | 310 helix | trans | -59.6 | -28.8 | 176.2 | -161.9 | -161.1 | 127.7 | 0 | 0 | 113.2 | K1489 R1492 S1779 | E1487-K1489 PolarHBondContact O-N 2.88Å; E1487-R1492 PolarHBondContact O-NH2 2.92Å; E1487-R1492 IonicContact OE1-CZ 2.82Å; E1487-R1492 IonicContact OE1-NH2 3.57Å; E1487-R1492 PolarHBondContact OE1-NH2 2.76Å; E1487-S1779 VanDerWaalsContact OE2-CB 3.25Å; E1487-S1779 WeakPolarHBondContact OE2-CB 3.4Å; E1487-S1779 PolarHBondContact OE2-N 2.87Å; E1487-S1779 PolarHBondContact OE2-OG 3.04Å |
| 1488 | E | 75.7 | Confident | 78 | Confident | 173 Ų | 173 | 65.5 Ų | 65.5 | 81% | 0.808 | 30% | 0.304 | S | S | * | . | G | 310 helix | trans | -75.1 | -16.1 | 176.2 | -60.9 | -177.1 | 169.4 | 0 | 0 | 112.5 | S1486 | S1486-E1488 PolarHBondContact O-N 2.75Å; S1486-E1488 PolarHBondContact OG-N 3.1Å |
| 1489 | K | 78.3 | Confident | 78.2 | Confident | 69 Ų | 69 | 66.9 Ų | 66.9 | 30% | 0.3 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -118.2 | 20.3 | -179.2 | -68.9 | -56.8 | -170.7 | -179.1 | 0 | 113.2 | L1478 D1480 A1481 S1484 S1486 E1487 | L1478-K1489 PolarHBondContact O-NZ 3.46Å; D1480-K1489 CarbonylContact C-O 3.39Å; D1480-K1489 WeakPolarHBondContact CA-O 3.41Å; D1480-K1489 WeakPolarHBondContact OD1-CD 3.48Å; D1480-K1489 IonicContact OD1-NZ 3.41Å; D1480-K1489 PolarHBondContact OD1-NZ 2.83Å; A1481-K1489 PolarHBondContact N-O 2.86Å; S1484-K1489 WeakPolarHBondContact CB-O 3.47Å; S1484-K1489 WeakPolarHBondContact OG-CB 3.35Å; S1484-K1489 PolarHBondContact OG-O 3.18Å; S1486-K1489 CarbonylContact O-C 3.59Å; S1486-K1489 WeakPolarHBondContact O-CA 3.47Å; S1486-K1489 PolarHBondContact O-N 3.31Å; E1487-K1489 PolarHBondContact O-N 2.88Å |
| 1490 | L | 73.4 | Confident | 78.6 | Confident | 56 Ų | 56 | 62.9 Ų | 62.9 | 29% | 0.293 | 30% | 0.301 | S | S | . | . | B | Isolated β-bridge | trans | -95.9 | 128 | 179.5 | -163.9 | 84.7 | 0 | 0 | 0 | 111.3 | A1481 R1482 S1484 S1486 R1492 M1669 | A1481-L1490 WeakPolarHBondContact O-CA 3.36Å; R1482-L1490 WeakPolarHBondContact O-CD1 3.5Å; S1484-L1490 WeakPolarHBondContact O-CD1 3.28Å; S1486-L1490 PolarHBondContact O-N 2.81Å; L1490-R1492 PolarHBondContact O-N 2.84Å; L1490-M1669 HydrophobicContact CD1-CE 3.85Å |
| 1491 | I | 77.3 | Confident | 78.9 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | trans | -69.7 | 101.1 | 168.4 | -60.9 | -179.6 | 0 | 0 | 0 | 109.3 | P1473 D1480 A1481 R1482 I1495 L1651 V1652 | P1473-I1491 HydrophobicContact CB-CD1 4.37Å; P1473-I1491 VanDerWaalsContact O-CD1 3.32Å; P1473-I1491 WeakPolarHBondContact O-CD1 3.4Å; D1480-I1491 HydrophobicContact CB-CG1 4.03Å; A1481-I1491 PolarHBondContact O-N 2.99Å; A1481-I1491 VanDerWaalsContact O-N 3.09Å; R1482-I1491 PolarHBondContact NH1-O 2.84Å; R1482-I1491 VanDerWaalsContact NH1-O 3.1Å; I1491-I1495 HydrophobicContact CD1-CD1 4.23Å; I1491-I1495 HydrophobicContact CG2-CD1 3.59Å; I1491-I1495 HydrophobicContact CG2-CG1 4.13Å; I1491-L1651 HydrophobicContact CD1-CD1 3.79Å; I1491-V1652 HydrophobicContact CG1-CG2 4.43Å; I1491-V1652 HydrophobicContact CG2-CG2 3.88Å | ||
| 1492 | R | 67.5 | Low | 79.3 | Confident | 167 Ų | 167 | 64.5 Ų | 64.5 | 63% | 0.63 | 31% | 0.311 | S | S | * | . | trans | -71.9 | -31.6 | 179.7 | -62.3 | 178.1 | -176.5 | -151.1 | -11.7 | 113 | E1487 L1490 | E1487-R1492 PolarHBondContact O-NH2 2.92Å; E1487-R1492 IonicContact OE1-CZ 2.82Å; E1487-R1492 IonicContact OE1-NH2 3.57Å; E1487-R1492 PolarHBondContact OE1-NH2 2.76Å; L1490-R1492 PolarHBondContact O-N 2.84Å | ||
| 1493 | Q | 71.8 | Confident | 79.8 | Confident | 60 Ų | 60 | 65.8 Ų | 65.8 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -69.1 | 144.7 | 176.8 | -66.2 | 177.3 | -13 | 0 | 0 | 111 | R1482 I1495 D1656 | R1482-Q1493 PolarHBondContact NH1-O 3.42Å; Q1493-I1495 PolarHBondContact O-N 2.91Å; Q1493-D1656 PolarHBondContact NE2-O 2.88Å; Q1493-D1656 VanDerWaalsContact NE2-O 3.11Å |
| 1494 | T | 72.8 | Confident | 80.3 | Confident | 129 Ų | 129 | 64 Ų | 64 | 79% | 0.791 | 31% | 0.31 | S | S | * | . | trans | -76.2 | 118.6 | 170 | 37.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1495 | I | 79.8 | Confident | 80.8 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 20% | 0.195 | 31% | 0.312 | C | S | . | . | trans | -116.9 | 124.6 | 177.9 | -59.4 | -173.5 | 0 | 0 | 0 | 106.9 | P1473 I1491 Q1493 F1497 L1651 V1652 | P1473-I1495 HydrophobicContact CB-CG2 4.25Å; P1473-I1495 HydrophobicContact CG-CB 4.39Å; P1473-I1495 HydrophobicContact CG-CG2 4.21Å; I1491-I1495 HydrophobicContact CD1-CD1 4.23Å; I1491-I1495 HydrophobicContact CG2-CD1 3.59Å; I1491-I1495 HydrophobicContact CG2-CG1 4.13Å; Q1493-I1495 PolarHBondContact O-N 2.91Å; I1495-F1497 WeakPolarHBondContact O-CD1 3.34Å; I1495-L1651 HydrophobicContact CD1-CB 3.61Å; I1495-L1651 HydrophobicContact CD1-CD1 3.89Å; I1495-L1651 HydrophobicContact CD1-CD2 4.26Å; I1495-L1651 HydrophobicContact CD1-CG 4.12Å; I1495-L1651 HydrophobicContact CG2-CD2 4.29Å; I1495-V1652 HydrophobicContact CD1-CG2 4.48Å | ||
| 1496 | E | 80 | Confident | 80.6 | Confident | 178 Ų | 178 | 65.1 Ų | 65.1 | 83% | 0.832 | 32% | 0.317 | S | S | * | . | trans | -76.7 | 133.7 | 170 | -66.4 | -178.9 | 170.5 | 0 | 0 | 109.3 | ||||
| 1497 | F | 87.2 | Confident | 80 | Confident | 59 Ų | 59 | 66.4 Ų | 66.4 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | trans | -152 | 149.7 | 179.7 | 67.9 | -80 | 0 | 0 | 0 | 110.3 | P1473 I1495 L1519 D1520 C1521 | P1473-F1497 VanDerWaalsContact CD-CE1 3.47Å; P1473-F1497 HydrophobicContact CG-CB 3.9Å; P1473-F1497 HydrophobicContact CG-CD1 3.23Å; P1473-F1497 HydrophobicContact CG-CD2 4.16Å; P1473-F1497 HydrophobicContact CG-CE1 3.7Å; P1473-F1497 HydrophobicContact CG-CG 3.5Å; P1473-F1497 VanDerWaalsContact CG-CG 3.5Å; P1473-F1497 HydrophobicContact CG-CZ 4.34Å; I1495-F1497 WeakPolarHBondContact O-CD1 3.34Å; F1497-L1519 HydrophobicContact CD2-CD1 3.95Å; F1497-L1519 HydrophobicContact CD2-CD2 3.95Å; F1497-L1519 HydrophobicContact CD2-CG 4.45Å; F1497-L1519 HydrophobicContact CE2-CD1 4.42Å; F1497-L1519 HydrophobicContact CE2-CD2 4.36Å; F1497-D1520 VanDerWaalsContact CA-OD1 3.25Å; F1497-D1520 WeakPolarHBondContact CA-OD1 3.3Å; F1497-C1521 HydrophobicContact CB-CB 4.13Å; F1497-C1521 VanDerWaalsContact CB-SG 3.59Å | ||
| 1498 | H | 88.3 | Confident | 79.7 | Confident | 113 Ų | 113 | 69.3 Ų | 69.3 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | trans | -124.8 | 129.5 | 177.4 | -55.5 | 86.5 | 0 | 0 | 0 | 109.4 | D1520 | H1498-D1520 HydrophobicContact CB-CB 4.45Å; H1498-D1520 IonicContact CE1-OD2 3.92Å; H1498-D1520 IonicContact CG-OD2 3.94Å; H1498-D1520 VanDerWaalsContact N-CG 3.26Å; H1498-D1520 PolarHBondContact N-OD1 2.8Å; H1498-D1520 PolarHBondContact N-OD2 3.16Å; H1498-D1520 IonicContact ND1-OD2 4Å; H1498-D1520 PolarHBondContact ND1-OD2 2.87Å; H1498-D1520 PolarHBondContact O-N 2.62Å | ||
| 1499 | P | 87.7 | Confident | 78.9 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 133.1 | 170.6 | 29.7 | -32.9 | 0 | 0 | 0 | 110 | V1518 L1519 | P1499-V1518 WeakPolarHBondContact CA-O 3.33Å; P1499-L1519 HydrophobicContact CB-CD2 4.19Å |
| 1500 | L | 90.3 | Very high | 77.8 | Confident | 18 Ų | 18 | 68 Ų | 68 | 9% | 0.094 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 140.8 | 174 | -56.1 | 175 | 0 | 0 | 0 | 108.6 | R1517 V1518 D1520 L1583 N1590 | L1500-R1517 WeakPolarHBondContact O-CA 3.3Å; L1500-V1518 HydrophobicContact CB-CG2 4.04Å; L1500-V1518 PolarHBondContact N-O 3.33Å; L1500-V1518 PolarHBondContact O-N 3.04Å; L1500-V1518 VanDerWaalsContact O-O 3.06Å; L1500-D1520 HydrophobicContact CD1-CB 3.91Å; L1500-D1520 HydrophobicContact CG-CB 4.31Å; L1500-L1583 HydrophobicContact CD1-CB 4.33Å; L1500-L1583 HydrophobicContact CD1-CD1 4.24Å; L1500-N1590 HydrophobicContact CD2-CB 4.04Å |
| 1501 | V | 90.8 | Very high | 77.1 | Confident | 48 Ų | 48 | 72.8 Ų | 72.8 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 120.7 | 164.6 | -178.9 | 0 | 0 | 0 | 0 | 106.8 | A1515 V1516 N1590 N1591 | V1501-A1515 HydrophobicContact CG1-CB 4.07Å; V1501-V1516 WeakPolarHBondContact CA-O 3.3Å; V1501-N1590 PolarHBondContact N-OD1 2.79Å; V1501-N1590 PolarHBondContact O-OD1 2.9Å; V1501-N1591 VanDerWaalsContact O-CA 3.23Å; V1501-N1591 WeakPolarHBondContact O-CA 3.48Å; V1501-N1591 PolarHBondContact O-N 2.87Å |
| 1502 | V | 90.6 | Very high | 76.6 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 140.8 | 176.8 | -64.6 | 0 | 0 | 0 | 0 | 109.4 | V1504 V1516 V1518 A1592 L1594 | V1502-V1504 HydrophobicContact CG2-CG2 4.1Å; V1502-V1516 HydrophobicContact CG2-CB 4.11Å; V1502-V1516 PolarHBondContact N-O 2.96Å; V1502-V1516 PolarHBondContact O-N 2.93Å; V1502-V1518 HydrophobicContact CG1-CG2 3.94Å; V1502-V1518 HydrophobicContact CG2-CG1 4.1Å; V1502-V1518 HydrophobicContact CG2-CG2 3.79Å; V1502-A1592 WeakPolarHBondContact CA-O 3.44Å; V1502-A1592 HydrophobicContact CG1-CB 4.46Å; V1502-L1594 HydrophobicContact CB-CD1 3.8Å; V1502-L1594 HydrophobicContact CB-CG 4.17Å; V1502-L1594 HydrophobicContact CG1-CD1 4.05Å; V1502-L1594 HydrophobicContact CG2-CD1 3.77Å |
| 1503 | Y | 90.7 | Very high | 77 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 116.6 | 179.9 | -72 | -85.4 | 0 | 0 | 0 | 108.6 | E1513 A1515 N1591 A1592 S1593 L1594 | Y1503-E1513 HydrophobicContact CD1-CB 4.36Å; Y1503-A1515 HydrophobicContact CD1-CB 4.26Å; Y1503-A1515 HydrophobicContact CE1-CB 3.95Å; Y1503-N1591 HydrophobicContact CD2-CB 4.33Å; Y1503-N1591 HydrophobicContact CE2-CB 3.93Å; Y1503-A1592 PolarHBondContact N-O 2.96Å; Y1503-S1593 CarbonylContact O-C 3.57Å; Y1503-S1593 VanDerWaalsContact O-CA 3.3Å; Y1503-S1593 WeakPolarHBondContact O-CA 3.41Å; Y1503-L1594 PolarHBondContact O-N 3.03Å |
| 1504 | V | 88.2 | Confident | 77.6 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 118.9 | -170.6 | -173 | 0 | 0 | 0 | 0 | 109.8 | V1502 V1514 V1516 C1531 I1535 L1594 L1596 | V1502-V1504 HydrophobicContact CG2-CG2 4.1Å; V1504-V1514 PolarHBondContact N-O 2.81Å; V1504-V1514 PolarHBondContact O-N 3.09Å; V1504-V1516 HydrophobicContact CB-CG2 4.12Å; V1504-V1516 HydrophobicContact CG2-CB 4.17Å; V1504-V1516 HydrophobicContact CG2-CG2 3.52Å; V1504-C1531 HydrophobicContact CG1-CB 4.22Å; V1504-C1531 HydrophobicContact CG2-CB 4.31Å; V1504-C1531 VanDerWaalsContact CG2-SG 3.52Å; V1504-I1535 HydrophobicContact CG1-CD1 4.01Å; V1504-L1594 WeakPolarHBondContact CA-O 3.41Å; V1504-L1594 HydrophobicContact CG2-CB 4.35Å; V1504-L1596 HydrophobicContact CG1-CD1 4.32Å; V1504-L1596 HydrophobicContact CG1-CG 4.14Å |
| 1505 | T | 84.4 | Confident | 78.3 | Confident | 13 Ų | 13 | 67.9 Ų | 67.9 | 8% | 0.08 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 134.9 | 165 | 51.4 | 0 | 0 | 0 | 0 | 110.2 | E1513 R1555 L1594 A1595 L1596 | T1505-E1513 HydrophobicContact CG2-CG 3.54Å; T1505-R1555 PolarHBondContact OG1-NH1 3.35Å; T1505-L1594 PolarHBondContact N-O 3.04Å; T1505-L1594 PolarHBondContact OG1-O 2.92Å; T1505-A1595 WeakPolarHBondContact O-CA 3.03Å; T1505-A1595 VanDerWaalsContact OG1-CB 3.31Å; T1505-A1595 WeakPolarHBondContact OG1-CB 3.06Å; T1505-L1596 PolarHBondContact O-N 3.44Å |
| 1506 | S | 72.5 | Confident | 78.7 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 15% | 0.147 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 129.8 | 164.6 | -178.9 | 0 | 0 | 0 | 0 | 109 | F1508 D1509 | S1506-F1508 PolarHBondContact O-N 3.44Å; S1506-F1508 PolarHBondContact OG-N 3.44Å; S1506-D1509 PolarHBondContact O-N 2.8Å; S1506-D1509 VanDerWaalsContact O-O 3.04Å |
| 1507 | G | 63.4 | Low | 79 | Confident | 38 Ų | 38 | 64.5 Ų | 64.5 | 39% | 0.392 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -3.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | L1596 | G1507-L1596 VanDerWaalsContact CA-O 3.31Å; G1507-L1596 WeakPolarHBondContact CA-O 3.37Å; G1507-L1596 PolarHBondContact N-O 3.05Å |
| 1508 | F | 63.9 | Low | 79.3 | Confident | 121 Ų | 121 | 61.7 Ų | 61.7 | 53% | 0.531 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -16.7 | 179 | -57.7 | -75.6 | 0 | 0 | 0 | 114.1 | S1506 L1550 P1598 | S1506-F1508 PolarHBondContact O-N 3.44Å; S1506-F1508 PolarHBondContact OG-N 3.44Å; F1508-L1550 HydrophobicContact CE2-CD2 4.19Å; F1508-L1550 HydrophobicContact CZ-CD2 4.42Å; F1508-P1598 HydrophobicContact CE1-CG 3.7Å; F1508-P1598 HydrophobicContact CE2-CG 4.37Å; F1508-P1598 HydrophobicContact CZ-CG 3.6Å |
| 1509 | D | 59.3 | Low | 79.5 | Confident | 113 Ų | 113 | 56.5 Ų | 56.5 | 60% | 0.604 | 32% | 0.315 | S | S | * | . | trans | -143.7 | 123.9 | -175.1 | -122.5 | -28.5 | 0 | 0 | 0 | 110.6 | S1506 | S1506-D1509 PolarHBondContact O-N 2.8Å; S1506-D1509 VanDerWaalsContact O-O 3.04Å | ||
| 1510 | S | 53.9 | Low | 79.7 | Confident | 102 Ų | 102 | 54.5 Ų | 54.5 | 71% | 0.713 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -84.6 | -15.5 | -159.6 | 45.4 | 0 | 0 | 0 | 0 | 116.7 | ||
| 1511 | D | 59.4 | Low | 79.8 | Confident | 156 Ų | 156 | 54 Ų | 54 | 83% | 0.834 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -119.7 | 12.1 | -162.5 | -67.1 | -40.1 | 0 | 0 | 0 | 115.9 | ||
| 1512 | S | 66.6 | Low | 79.9 | Confident | 69 Ų | 69 | 51.8 Ų | 51.8 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | trans | -133 | 123.1 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1513 | E | 76.5 | Confident | 80 | Confident | 100 Ų | 100 | 51.8 Ų | 51.8 | 47% | 0.467 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 119.3 | 169.7 | -78.3 | -170.1 | 149.2 | 0 | 0 | 109.7 | Y1503 T1505 S1593 | Y1503-E1513 HydrophobicContact CD1-CB 4.36Å; T1505-E1513 HydrophobicContact CG2-CG 3.54Å; E1513-S1593 PolarHBondContact OE1-OG 2.8Å; E1513-S1593 VanDerWaalsContact OE1-OG 3.08Å |
| 1514 | V | 83.2 | Confident | 80.2 | Confident | 39 Ų | 39 | 47.9 Ų | 47.9 | 24% | 0.236 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 126.7 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 109.6 | V1504 V1516 A1534 I1535 | V1504-V1514 PolarHBondContact N-O 2.81Å; V1504-V1514 PolarHBondContact O-N 3.09Å; V1514-V1516 HydrophobicContact CG1-CG2 4.35Å; V1514-V1516 PolarHBondContact O-N 3.11Å; V1514-A1534 HydrophobicContact CG1-CB 4.12Å; V1514-I1535 HydrophobicContact CB-CG1 4.36Å; V1514-I1535 HydrophobicContact CG2-CG1 4.17Å |
| 1515 | A | 87.7 | Confident | 80.3 | Confident | 48 Ų | 48 | 49.9 Ų | 49.9 | 40% | 0.397 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 123.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1501 Y1503 | V1501-A1515 HydrophobicContact CG1-CB 4.07Å; Y1503-A1515 HydrophobicContact CD1-CB 4.26Å; Y1503-A1515 HydrophobicContact CE1-CB 3.95Å |
| 1516 | V | 87.4 | Confident | 80.6 | Confident | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 125.9 | -177.3 | -169.6 | 0 | 0 | 0 | 0 | 109.6 | V1501 V1502 V1504 V1514 V1518 K1530 A1534 | V1501-V1516 WeakPolarHBondContact CA-O 3.3Å; V1502-V1516 HydrophobicContact CG2-CB 4.11Å; V1502-V1516 PolarHBondContact N-O 2.96Å; V1502-V1516 PolarHBondContact O-N 2.93Å; V1504-V1516 HydrophobicContact CB-CG2 4.12Å; V1504-V1516 HydrophobicContact CG2-CB 4.17Å; V1504-V1516 HydrophobicContact CG2-CG2 3.52Å; V1514-V1516 HydrophobicContact CG1-CG2 4.35Å; V1514-V1516 PolarHBondContact O-N 3.11Å; V1516-V1518 HydrophobicContact CG1-CG1 3.91Å; V1516-K1530 HydrophobicContact CG1-CB 4.16Å; V1516-A1534 HydrophobicContact CB-CB 4.26Å; V1516-A1534 HydrophobicContact CG1-CB 3.95Å; V1516-A1534 HydrophobicContact CG2-CB 3.56Å |
| 1517 | R | 88.2 | Confident | 81.6 | Confident | 140 Ų | 140 | 48.5 Ų | 48.5 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 115.8 | 174.9 | -169.2 | 177.2 | -176.8 | 174.6 | 2.3 | 109.4 | D1300 L1500 | D1300-R1517 IonicContact OD2-NH1 3.62Å; D1300-R1517 PolarHBondContact OD2-NH1 2.87Å; L1500-R1517 WeakPolarHBondContact O-CA 3.3Å |
| 1518 | V | 91.8 | Very high | 82.9 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 172 | 180 | -60.5 | 0 | 0 | 0 | 0 | 109.2 | P1499 L1500 V1502 V1516 V1527 K1530 L1583 | P1499-V1518 WeakPolarHBondContact CA-O 3.33Å; L1500-V1518 HydrophobicContact CB-CG2 4.04Å; L1500-V1518 PolarHBondContact N-O 3.33Å; L1500-V1518 PolarHBondContact O-N 3.04Å; L1500-V1518 VanDerWaalsContact O-O 3.06Å; V1502-V1518 HydrophobicContact CG1-CG2 3.94Å; V1502-V1518 HydrophobicContact CG2-CG1 4.1Å; V1502-V1518 HydrophobicContact CG2-CG2 3.79Å; V1516-V1518 HydrophobicContact CG1-CG1 3.91Å; V1518-V1527 HydrophobicContact CB-CG2 4.44Å; V1518-V1527 HydrophobicContact CG1-CG1 4.3Å; V1518-V1527 HydrophobicContact CG1-CG2 4.47Å; V1518-K1530 HydrophobicContact CB-CD 4.5Å; V1518-K1530 HydrophobicContact CG1-CB 4.12Å; V1518-K1530 HydrophobicContact CG1-CD 4.11Å; V1518-L1583 HydrophobicContact CB-CD1 4.17Å; V1518-L1583 HydrophobicContact CG2-CD1 3.42Å; V1518-L1583 VanDerWaalsContact CG2-CD1 3.42Å |
| 1519 | L | 92.3 | Very high | 84.1 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 145.6 | 173.3 | -53.1 | -177.6 | 0 | 0 | 0 | 109.6 | G1472 F1497 P1499 C1521 D1522 | G1472-L1519 WeakPolarHBondContact O-CD1 3.24Å; F1497-L1519 HydrophobicContact CD2-CD1 3.95Å; F1497-L1519 HydrophobicContact CD2-CD2 3.95Å; F1497-L1519 HydrophobicContact CD2-CG 4.45Å; F1497-L1519 HydrophobicContact CE2-CD1 4.42Å; F1497-L1519 HydrophobicContact CE2-CD2 4.36Å; P1499-L1519 HydrophobicContact CB-CD2 4.19Å; L1519-C1521 PolarHBondContact O-N 2.8Å; L1519-C1521 VanDerWaalsContact O-N 3.16Å; L1519-D1522 PolarHBondContact N-OD2 2.64Å; L1519-D1522 WeakPolarHBondContact O-CB 3Å; L1519-D1522 PolarHBondContact O-N 2.96Å |
| 1520 | D | 93.1 | Very high | 85.5 | Confident | 25 Ų | 25 | 40.5 Ų | 40.5 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27 | 170.2 | 71.2 | -19.8 | 0 | 0 | 0 | 112.3 | F1497 H1498 L1500 T1582 L1583 A1584 | F1497-D1520 VanDerWaalsContact CA-OD1 3.25Å; F1497-D1520 WeakPolarHBondContact CA-OD1 3.3Å; H1498-D1520 HydrophobicContact CB-CB 4.45Å; H1498-D1520 IonicContact CE1-OD2 3.92Å; H1498-D1520 IonicContact CG-OD2 3.94Å; H1498-D1520 VanDerWaalsContact N-CG 3.26Å; H1498-D1520 PolarHBondContact N-OD1 2.8Å; H1498-D1520 PolarHBondContact N-OD2 3.16Å; H1498-D1520 IonicContact ND1-OD2 4Å; H1498-D1520 PolarHBondContact ND1-OD2 2.87Å; H1498-D1520 PolarHBondContact O-N 2.62Å; L1500-D1520 HydrophobicContact CD1-CB 3.91Å; L1500-D1520 HydrophobicContact CG-CB 4.31Å; D1520-T1582 WeakPolarHBondContact O-CB 3.45Å; D1520-T1582 PolarHBondContact O-OG1 2.85Å; D1520-L1583 PolarHBondContact O-N 2.49Å; D1520-A1584 HydrophobicContact CB-CB 3.99Å; D1520-A1584 VanDerWaalsContact O-CB 3.22Å; D1520-A1584 WeakPolarHBondContact O-CB 3.38Å; D1520-A1584 PolarHBondContact O-N 2.82Å |
| 1521 | C | 93 | Very high | 87.2 | Confident | 8 Ų | 8 | 35.6 Ų | 35.6 | 5% | 0.054 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5 | 175.1 | 78.8 | 0 | 0 | 0 | 0 | 115.1 | F1497 L1519 H1650 L1651 | F1497-C1521 HydrophobicContact CB-CB 4.13Å; F1497-C1521 VanDerWaalsContact CB-SG 3.59Å; L1519-C1521 PolarHBondContact O-N 2.8Å; L1519-C1521 VanDerWaalsContact O-N 3.16Å; C1521-H1650 PolarHBondContact O-CE1 3.16Å; C1521-H1650 PolarHBondContact O-NE2 3.07Å; C1521-L1651 HydrophobicContact CB-CD2 4.23Å |
| 1522 | D | 92.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -76.7 | 141.1 | 173.2 | -71.8 | -30.8 | 0 | 0 | 0 | 110.6 | L1519 Q1526 V1527 K1530 T1582 L1583 | L1519-D1522 PolarHBondContact N-OD2 2.64Å; L1519-D1522 WeakPolarHBondContact O-CB 3Å; L1519-D1522 PolarHBondContact O-N 2.96Å; D1522-Q1526 HydrophobicContact CB-CB 4.04Å; D1522-V1527 HydrophobicContact CB-CG2 3.77Å; D1522-K1530 IonicContact OD1-NZ 3.95Å; D1522-K1530 PolarHBondContact OD1-NZ 3.38Å; D1522-K1530 WeakPolarHBondContact OD2-CD 3.5Å; D1522-K1530 WeakPolarHBondContact OD2-CE 2.98Å; D1522-K1530 IonicContact OD2-NZ 2.64Å; D1522-K1530 PolarHBondContact OD2-NZ 2.93Å; D1522-T1582 WeakPolarHBondContact O-CA 3.47Å; D1522-T1582 WeakPolarHBondContact O-CB 3.48Å; D1522-L1583 PolarHBondContact O-N 2.81Å |
| 1523 | T | 93 | Very high | 89.3 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.006 | 14% | 0.136 | C | C | . | . | B | Isolated β-bridge | trans | -65 | 161.5 | 167.6 | 74.7 | 0 | 0 | 0 | 0 | 111.2 | A1476 S1525 Q1526 V1527 D1566 I1580 H1650 | A1476-T1523 HydrophobicContact CB-CG2 3.66Å; T1523-S1525 PolarHBondContact O-N 2.68Å; T1523-S1525 PolarHBondContact OG1-N 2.87Å; T1523-Q1526 PolarHBondContact O-N 3.45Å; T1523-Q1526 VanDerWaalsContact O-N 3.1Å; T1523-Q1526 PolarHBondContact OG1-N 2.94Å; T1523-V1527 WeakPolarHBondContact O-CG2 3.1Å; T1523-V1527 PolarHBondContact O-N 3.26Å; T1523-D1566 WeakPolarHBondContact CB-OD1 2.99Å; T1523-I1580 HydrophobicContact CG2-CB 4.12Å; T1523-I1580 HydrophobicContact CG2-CG2 3.44Å; T1523-I1580 VanDerWaalsContact CG2-CG2 3.44Å; T1523-H1650 HydrophobicContact CG2-CB 4.41Å; T1523-H1650 WeakPolarHBondContact CG2-CD2 3.15Å; T1523-H1650 VanDerWaalsContact CG2-CE1 3.45Å; T1523-H1650 WeakPolarHBondContact CG2-CE1 3.49Å; T1523-H1650 WeakPolarHBondContact CG2-NE2 3.48Å |
| 1524 | I | 93.7 | Very high | 89.6 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.6 | -35.6 | 176.4 | -53.2 | -49.6 | 0 | 0 | 0 | 111.3 | V1527 K1528 L1552 L1564 D1566 L1583 Y1586 | I1524-V1527 PolarHBondContact O-N 2.69Å; I1524-K1528 VanDerWaalsContact O-CG 3.31Å; I1524-K1528 WeakPolarHBondContact O-CG 3.48Å; I1524-K1528 PolarHBondContact O-N 2.79Å; I1524-L1552 HydrophobicContact CG2-CB 4.06Å; I1524-L1552 HydrophobicContact CG2-CD2 3.87Å; I1524-L1564 HydrophobicContact CD1-CB 3.79Å; I1524-L1564 HydrophobicContact CD1-CD1 4.11Å; I1524-L1564 HydrophobicContact CG1-CB 3.98Å; I1524-L1564 HydrophobicContact CG2-CB 3.87Å; I1524-D1566 VanDerWaalsContact CA-OD1 3.31Å; I1524-D1566 WeakPolarHBondContact CA-OD1 3.4Å; I1524-D1566 VanDerWaalsContact CB-OD1 3.28Å; I1524-D1566 WeakPolarHBondContact CB-OD1 2.99Å; I1524-D1566 PolarHBondContact N-OD1 2.89Å; I1524-L1583 HydrophobicContact CD1-CD2 4.13Å; I1524-Y1586 HydrophobicContact CD1-CD2 3.92Å; I1524-Y1586 HydrophobicContact CD1-CE2 3.84Å; I1524-Y1586 HydrophobicContact CG1-CE2 3.92Å |
| 1525 | S | 90.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 22.7 Ų | 22.7 | 29% | 0.294 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -65.8 | -42.2 | 171.5 | -64.6 | 0 | 0 | 0 | 0 | 113 | T1523 V1527 K1528 E1529 D1566 | T1523-S1525 PolarHBondContact O-N 2.68Å; T1523-S1525 PolarHBondContact OG1-N 2.87Å; S1525-V1527 VanDerWaalsContact C-N 3.29Å; S1525-V1527 PolarHBondContact O-N 3.4Å; S1525-K1528 WeakPolarHBondContact O-CB 3.45Å; S1525-K1528 PolarHBondContact O-N 2.75Å; S1525-E1529 WeakPolarHBondContact O-CG 3.4Å; S1525-E1529 PolarHBondContact O-N 2.93Å; S1525-D1566 WeakPolarHBondContact CB-OD2 3.38Å; S1525-D1566 PolarHBondContact N-OD1 2.97Å; S1525-D1566 PolarHBondContact OG-OD2 2.84Å |
| 1526 | Q | 91.1 | Very high | 89.1 | Confident | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.023 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -37 | 174.6 | -74.9 | 174.2 | -54.8 | 0 | 0 | 111.9 | Q1474 A1476 D1522 T1523 E1529 K1530 H1650 | Q1474-Q1526 PolarHBondContact O-NE2 3Å; A1476-Q1526 HydrophobicContact CB-CG 4.35Å; D1522-Q1526 HydrophobicContact CB-CB 4.04Å; T1523-Q1526 PolarHBondContact O-N 3.45Å; T1523-Q1526 VanDerWaalsContact O-N 3.1Å; T1523-Q1526 PolarHBondContact OG1-N 2.94Å; Q1526-E1529 PolarHBondContact O-N 2.76Å; Q1526-K1530 WeakPolarHBondContact O-CG 3.41Å; Q1526-K1530 PolarHBondContact O-N 2.99Å; Q1526-H1650 PolarHBondContact OE1-CE1 2.99Å; Q1526-H1650 PolarHBondContact OE1-ND1 2.96Å |
| 1527 | V | 92.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.8 | -48.5 | 172.4 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | V1518 D1522 T1523 I1524 S1525 E1529 K1530 C1531 L1552 L1583 L1594 | V1518-V1527 HydrophobicContact CB-CG2 4.44Å; V1518-V1527 HydrophobicContact CG1-CG1 4.3Å; V1518-V1527 HydrophobicContact CG1-CG2 4.47Å; D1522-V1527 HydrophobicContact CB-CG2 3.77Å; T1523-V1527 WeakPolarHBondContact O-CG2 3.1Å; T1523-V1527 PolarHBondContact O-N 3.26Å; I1524-V1527 PolarHBondContact O-N 2.69Å; S1525-V1527 VanDerWaalsContact C-N 3.29Å; S1525-V1527 PolarHBondContact O-N 3.4Å; V1527-E1529 VanDerWaalsContact C-N 3.28Å; V1527-E1529 PolarHBondContact O-N 2.79Å; V1527-K1530 PolarHBondContact O-N 2.82Å; V1527-C1531 WeakPolarHBondContact O-CB 3.43Å; V1527-C1531 PolarHBondContact O-N 3.1Å; V1527-C1531 PolarHBondContact O-SG 2.94Å; V1527-L1552 HydrophobicContact CB-CD2 4.12Å; V1527-L1552 HydrophobicContact CG1-CD2 3.51Å; V1527-L1583 HydrophobicContact CG2-CD1 3.59Å; V1527-L1583 HydrophobicContact CG2-CD2 4.07Å; V1527-L1583 HydrophobicContact CG2-CG 3.7Å; V1527-L1594 HydrophobicContact CG1-CD1 4.28Å |
| 1528 | K | 91.4 | Very high | 87.4 | Confident | 14 Ų | 14 | 23.5 Ų | 23.5 | 6% | 0.061 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.5 | -42.9 | 175.8 | -71.5 | 174.5 | -173.6 | 178.6 | 0 | 111.9 | I1524 S1525 C1531 L1532 A1547 L1550 D1551 L1552 L1596 | I1524-K1528 VanDerWaalsContact O-CG 3.31Å; I1524-K1528 WeakPolarHBondContact O-CG 3.48Å; I1524-K1528 PolarHBondContact O-N 2.79Å; S1525-K1528 WeakPolarHBondContact O-CB 3.45Å; S1525-K1528 PolarHBondContact O-N 2.75Å; K1528-C1531 PolarHBondContact O-N 2.81Å; K1528-L1532 WeakPolarHBondContact O-CB 3.31Å; K1528-L1532 VanDerWaalsContact O-CG 3.26Å; K1528-L1532 WeakPolarHBondContact O-CG 2.99Å; K1528-L1532 PolarHBondContact O-N 2.84Å; K1528-A1547 HydrophobicContact CB-CB 4.04Å; K1528-A1547 VanDerWaalsContact CD-O 3.31Å; K1528-A1547 WeakPolarHBondContact CD-O 3.39Å; K1528-L1550 WeakPolarHBondContact CE-O 3.12Å; K1528-L1550 PolarHBondContact NZ-O 2.77Å; K1528-D1551 IonicContact NZ-OD1 3.84Å; K1528-L1552 HydrophobicContact CG-CB 4.09Å; K1528-L1596 HydrophobicContact CB-CD2 4.27Å; K1528-L1596 HydrophobicContact CG-CD2 3.85Å |
| 1529 | E | 87.8 | Confident | 86.6 | Confident | 68 Ų | 68 | 25.2 Ų | 25.2 | 32% | 0.318 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62 | -50.8 | 175.4 | -69.7 | 172.9 | 146.8 | 0 | 0 | 112 | S1525 Q1526 V1527 C1531 L1532 D1533 A1547 K1750 | S1525-E1529 WeakPolarHBondContact O-CG 3.4Å; S1525-E1529 PolarHBondContact O-N 2.93Å; Q1526-E1529 PolarHBondContact O-N 2.76Å; V1527-E1529 VanDerWaalsContact C-N 3.28Å; V1527-E1529 PolarHBondContact O-N 2.79Å; E1529-C1531 VanDerWaalsContact C-N 3.27Å; E1529-C1531 PolarHBondContact O-N 2.85Å; E1529-L1532 WeakPolarHBondContact O-CB 3.05Å; E1529-L1532 PolarHBondContact O-N 3.45Å; E1529-L1532 VanDerWaalsContact O-N 3.11Å; E1529-D1533 PolarHBondContact O-N 3Å; E1529-A1547 HydrophobicContact CG-CB 4.04Å; E1529-K1750 IonicContact OE1-NZ 2.65Å; E1529-K1750 IonicContact OE2-NZ 2.68Å; E1529-K1750 PolarHBondContact OE2-NZ 2.83Å |
| 1530 | K | 89.2 | Confident | 85.9 | Confident | 21 Ų | 21 | 26.7 Ų | 26.7 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 176.6 | -73.2 | 178 | 177.3 | -178.4 | 0 | 112.2 | E1470 V1516 V1518 D1522 Q1526 V1527 A1534 | E1470-K1530 PolarHBondContact O-NZ 3.45Å; V1516-K1530 HydrophobicContact CG1-CB 4.16Å; V1518-K1530 HydrophobicContact CB-CD 4.5Å; V1518-K1530 HydrophobicContact CG1-CB 4.12Å; V1518-K1530 HydrophobicContact CG1-CD 4.11Å; D1522-K1530 IonicContact OD1-NZ 3.95Å; D1522-K1530 PolarHBondContact OD1-NZ 3.38Å; D1522-K1530 WeakPolarHBondContact OD2-CD 3.5Å; D1522-K1530 WeakPolarHBondContact OD2-CE 2.98Å; D1522-K1530 IonicContact OD2-NZ 2.64Å; D1522-K1530 PolarHBondContact OD2-NZ 2.93Å; Q1526-K1530 WeakPolarHBondContact O-CG 3.41Å; Q1526-K1530 PolarHBondContact O-N 2.99Å; V1527-K1530 PolarHBondContact O-N 2.82Å; K1530-A1534 WeakPolarHBondContact O-CB 3.4Å; K1530-A1534 PolarHBondContact O-N 3.16Å |
| 1531 | C | 88.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66.3 | -42.9 | 174.1 | -64.2 | 0 | 0 | 0 | 0 | 112.3 | V1504 V1527 K1528 E1529 A1534 I1535 L1596 | V1504-C1531 HydrophobicContact CG1-CB 4.22Å; V1504-C1531 HydrophobicContact CG2-CB 4.31Å; V1504-C1531 VanDerWaalsContact CG2-SG 3.52Å; V1527-C1531 WeakPolarHBondContact O-CB 3.43Å; V1527-C1531 PolarHBondContact O-N 3.1Å; V1527-C1531 PolarHBondContact O-SG 2.94Å; K1528-C1531 PolarHBondContact O-N 2.81Å; E1529-C1531 VanDerWaalsContact C-N 3.27Å; E1529-C1531 PolarHBondContact O-N 2.85Å; C1531-A1534 PolarHBondContact O-N 3.42Å; C1531-I1535 WeakPolarHBondContact O-CG1 3.38Å; C1531-I1535 PolarHBondContact O-N 2.93Å; C1531-L1596 HydrophobicContact CB-CD1 3.64Å; C1531-L1596 HydrophobicContact CB-CG 4.29Å |
| 1532 | L | 87.6 | Confident | 84.7 | Confident | 13 Ų | 13 | 31.3 Ų | 31.3 | 7% | 0.068 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.5 | -76.2 | 171.1 | 0 | 0 | 0 | 111.9 | K1528 E1529 A1534 Y1536 P1545 A1547 L1550 L1596 | K1528-L1532 WeakPolarHBondContact O-CB 3.31Å; K1528-L1532 VanDerWaalsContact O-CG 3.26Å; K1528-L1532 WeakPolarHBondContact O-CG 2.99Å; K1528-L1532 PolarHBondContact O-N 2.84Å; E1529-L1532 WeakPolarHBondContact O-CB 3.05Å; E1529-L1532 PolarHBondContact O-N 3.45Å; E1529-L1532 VanDerWaalsContact O-N 3.11Å; L1532-A1534 VanDerWaalsContact C-N 3.3Å; L1532-A1534 PolarHBondContact O-N 2.85Å; L1532-Y1536 HydrophobicContact CD2-CD2 3.71Å; L1532-Y1536 HydrophobicContact CD2-CE2 3.6Å; L1532-Y1536 VanDerWaalsContact O-CB 3.29Å; L1532-Y1536 WeakPolarHBondContact O-CB 3.31Å; L1532-Y1536 WeakPolarHBondContact O-CD2 3.27Å; L1532-Y1536 PolarHBondContact O-N 2.82Å; L1532-P1545 WeakPolarHBondContact CD1-O 3.17Å; L1532-P1545 HydrophobicContact CD2-CG 3.87Å; L1532-A1547 HydrophobicContact CD1-CB 3.96Å; L1532-L1550 HydrophobicContact CD1-CD1 4.37Å; L1532-L1550 HydrophobicContact CD2-CD1 3.72Å; L1532-L1550 HydrophobicContact CG-CD1 4.32Å; L1532-L1596 HydrophobicContact CD2-CD1 4.27Å; L1532-L1596 HydrophobicContact CG-CD1 4.32Å |
| 1533 | D | 83.2 | Confident | 84.2 | Confident | 21 Ų | 21 | 40.4 Ų | 40.4 | 11% | 0.112 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.1 | -34.5 | 173.9 | -80.8 | -59.8 | 0 | 0 | 0 | 112.6 | W1463 K1466 E1529 R1537 R1544 | W1463-D1533 HydrophobicContact CH2-CB 4.46Å; K1466-D1533 IonicContact NZ-OD1 3.61Å; K1466-D1533 PolarHBondContact NZ-OD1 2.63Å; K1466-D1533 IonicContact NZ-OD2 3.19Å; K1466-D1533 PolarHBondContact NZ-OD2 3.22Å; E1529-D1533 PolarHBondContact O-N 3Å; D1533-R1537 VanDerWaalsContact O-CA 3.27Å; D1533-R1537 WeakPolarHBondContact O-CA 3.37Å; D1533-R1537 WeakPolarHBondContact O-CG 3.46Å; D1533-R1537 PolarHBondContact O-N 2.96Å; D1533-R1544 IonicContact OD1-NH1 3.18Å; D1533-R1544 PolarHBondContact OD1-NH1 2.94Å |
| 1534 | A | 82.5 | Confident | 83.6 | Confident | 15 Ų | 15 | 42.7 Ų | 42.7 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -76.5 | -33.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1514 V1516 K1530 C1531 L1532 R1537 | V1514-A1534 HydrophobicContact CG1-CB 4.12Å; V1516-A1534 HydrophobicContact CB-CB 4.26Å; V1516-A1534 HydrophobicContact CG1-CB 3.95Å; V1516-A1534 HydrophobicContact CG2-CB 3.56Å; K1530-A1534 WeakPolarHBondContact O-CB 3.4Å; K1530-A1534 PolarHBondContact O-N 3.16Å; C1531-A1534 PolarHBondContact O-N 3.42Å; L1532-A1534 VanDerWaalsContact C-N 3.3Å; L1532-A1534 PolarHBondContact O-N 2.85Å; A1534-R1537 WeakPolarHBondContact O-CG 3.48Å; A1534-R1537 PolarHBondContact O-NE 3.03Å |
| 1535 | I | 82.2 | Confident | 83.1 | Confident | 44 Ų | 44 | 44.4 Ų | 44.4 | 23% | 0.226 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -78.9 | -43 | 176.3 | -67.9 | 166.3 | 0 | 0 | 0 | 110.9 | V1504 V1514 C1531 L1596 | V1504-I1535 HydrophobicContact CG1-CD1 4.01Å; V1514-I1535 HydrophobicContact CB-CG1 4.36Å; V1514-I1535 HydrophobicContact CG2-CG1 4.17Å; C1531-I1535 WeakPolarHBondContact O-CG1 3.38Å; C1531-I1535 PolarHBondContact O-N 2.93Å; I1535-L1596 HydrophobicContact CD1-CD1 3.89Å |
| 1536 | Y | 79 | Confident | 82.6 | Confident | 44 Ų | 44 | 45 Ų | 45 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -105.6 | 28.2 | -172 | -63.3 | -76.2 | 0 | 0 | 0 | 113.2 | L1532 T1538 T1539 R1544 P1545 | L1532-Y1536 HydrophobicContact CD2-CD2 3.71Å; L1532-Y1536 HydrophobicContact CD2-CE2 3.6Å; L1532-Y1536 VanDerWaalsContact O-CB 3.29Å; L1532-Y1536 WeakPolarHBondContact O-CB 3.31Å; L1532-Y1536 WeakPolarHBondContact O-CD2 3.27Å; L1532-Y1536 PolarHBondContact O-N 2.82Å; Y1536-T1538 PolarHBondContact O-N 2.99Å; Y1536-T1539 HydrophobicContact CD1-CG2 4.45Å; Y1536-T1539 PolarHBondContact O-N 3.27Å; Y1536-R1544 HydrophobicContact CG-CG 4.08Å; Y1536-R1544 PolarHBondContact O-NE 2.88Å; Y1536-R1544 PolarHBondContact O-NH2 3.38Å; Y1536-P1545 HydrophobicContact CE2-CG 3.81Å |
| 1537 | R | 71.5 | Confident | 82.1 | Confident | 90 Ų | 90 | 45.5 Ų | 45.5 | 34% | 0.34 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -39.4 | -47.2 | -174.2 | -67.6 | -177.5 | -178.3 | -170.1 | 0.5 | 113.9 | W1304 E1307 D1533 A1534 R1544 | W1304-R1537 HydrophobicContact CH2-CB 4.4Å; W1304-R1537 VanDerWaalsContact CH2-CD 3.43Å; W1304-R1537 HydrophobicContact CH2-CG 3.71Å; W1304-R1537 HydrophobicContact CZ3-CB 4.4Å; W1304-R1537 HydrophobicContact CZ3-CG 4.17Å; E1307-R1537 IonicContact OE2-NH1 2.96Å; E1307-R1537 PolarHBondContact OE2-NH1 2.8Å; E1307-R1537 VanDerWaalsContact OE2-NH1 3.15Å; D1533-R1537 VanDerWaalsContact O-CA 3.27Å; D1533-R1537 WeakPolarHBondContact O-CA 3.37Å; D1533-R1537 WeakPolarHBondContact O-CG 3.46Å; D1533-R1537 PolarHBondContact O-N 2.96Å; A1534-R1537 WeakPolarHBondContact O-CG 3.48Å; A1534-R1537 PolarHBondContact O-NE 3.03Å; R1537-R1544 PolarHBondContact O-NH2 2.69Å |
| 1538 | T | 67.6 | Low | 81.7 | Confident | 77 Ų | 77 | 50 Ų | 50 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -0.4 | -171.1 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | T1311 Y1536 | T1311-T1538 VanDerWaalsContact CB-CG2 3.44Å; T1311-T1538 HydrophobicContact CG2-CG2 3.94Å; Y1536-T1538 PolarHBondContact O-N 2.99Å |
| 1539 | T | 75.1 | Confident | 81.4 | Confident | 36 Ų | 36 | 53.9 Ų | 53.9 | 22% | 0.221 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -95.3 | 133.5 | -175.5 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | Y1536 R1543 R1544 | Y1536-T1539 HydrophobicContact CD1-CG2 4.45Å; Y1536-T1539 PolarHBondContact O-N 3.27Å; T1539-R1543 HydrophobicContact CG2-CB 3.71Å; T1539-R1544 HydrophobicContact CG2-CG 4.21Å; T1539-R1544 VanDerWaalsContact O-CZ 3.28Å; T1539-R1544 PolarHBondContact O-NE 3.02Å; T1539-R1544 PolarHBondContact O-NH2 2.93Å |
| 1540 | P | 79.1 | Confident | 81.3 | Confident | 34 Ų | 34 | 50.9 Ų | 50.9 | 22% | 0.221 | 27% | 0.273 | C | S | . | . | trans | -57.1 | 146.3 | 174.8 | -22.8 | 32.3 | 0 | 0 | 0 | 112.6 | P1314 S1542 R1543 D1744 | P1314-P1540 HydrophobicContact CB-CB 4.01Å; P1314-P1540 HydrophobicContact CB-CG 4.01Å; P1540-S1542 VanDerWaalsContact C-N 3.28Å; P1540-S1542 PolarHBondContact O-N 3.47Å; P1540-R1543 PolarHBondContact O-N 2.84Å; P1540-D1744 HydrophobicContact CB-CB 4.07Å; P1540-D1744 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 1541 | C | 79.8 | Confident | 81.3 | Confident | 39 Ų | 39 | 51 Ų | 51 | 26% | 0.264 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -58.5 | -37.9 | -173.2 | -171.5 | 0 | 0 | 0 | 0 | 113.1 | R1543 R1544 D1744 | C1541-R1543 PolarHBondContact O-N 2.73Å; C1541-R1544 PolarHBondContact O-N 3.46Å; C1541-D1744 VanDerWaalsContact CB-O 3.26Å; C1541-D1744 WeakPolarHBondContact CB-O 3.22Å; C1541-D1744 WeakPolarHBondContact CB-OD1 3.45Å; C1541-D1744 PolarHBondContact N-O 2.76Å; C1541-D1744 PolarHBondContact N-OD2 2.99Å |
| 1542 | S | 79.7 | Confident | 81.4 | Confident | 92 Ų | 92 | 51 Ų | 51 | 64% | 0.643 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -58.9 | -16.6 | 176.7 | 63.6 | 0 | 0 | 0 | 0 | 115.1 | P1540 D1744 | P1540-S1542 VanDerWaalsContact C-N 3.28Å; P1540-S1542 PolarHBondContact O-N 3.47Å; S1542-D1744 WeakPolarHBondContact CB-OD2 3.32Å; S1542-D1744 PolarHBondContact N-OD1 3.06Å; S1542-D1744 VanDerWaalsContact N-OD1 3.08Å; S1542-D1744 PolarHBondContact N-OD2 2.93Å; S1542-D1744 PolarHBondContact OG-OD2 2.88Å |
| 1543 | R | 82.1 | Confident | 81.5 | Confident | 192 Ų | 192 | 52 Ų | 52 | 73% | 0.725 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -106.2 | 2.4 | -178.3 | -63 | -174.7 | -178.7 | -173.7 | 0.7 | 114.2 | T1539 P1540 C1541 | T1539-R1543 HydrophobicContact CG2-CB 3.71Å; P1540-R1543 PolarHBondContact O-N 2.84Å; C1541-R1543 PolarHBondContact O-N 2.73Å |
| 1544 | R | 81.7 | Confident | 81.7 | Confident | 49 Ų | 49 | 53.1 Ų | 53.1 | 19% | 0.185 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -95.3 | 144.1 | 179.5 | -55 | -177.1 | -172.5 | -172 | 2.2 | 110.8 | D1533 Y1536 R1537 T1539 C1541 | D1533-R1544 IonicContact OD1-NH1 3.18Å; D1533-R1544 PolarHBondContact OD1-NH1 2.94Å; Y1536-R1544 HydrophobicContact CG-CG 4.08Å; Y1536-R1544 PolarHBondContact O-NE 2.88Å; Y1536-R1544 PolarHBondContact O-NH2 3.38Å; R1537-R1544 PolarHBondContact O-NH2 2.69Å; T1539-R1544 HydrophobicContact CG2-CG 4.21Å; T1539-R1544 VanDerWaalsContact O-CZ 3.28Å; T1539-R1544 PolarHBondContact O-NE 3.02Å; T1539-R1544 PolarHBondContact O-NH2 2.93Å; C1541-R1544 PolarHBondContact O-N 3.46Å |
| 1545 | P | 82.7 | Confident | 81.9 | Confident | 36 Ų | 36 | 57 Ų | 57 | 23% | 0.234 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 144.5 | 168.7 | 26.8 | -32.3 | 0 | 0 | 0 | 110.8 | L1532 Y1536 L1550 | L1532-P1545 WeakPolarHBondContact CD1-O 3.17Å; L1532-P1545 HydrophobicContact CD2-CG 3.87Å; Y1536-P1545 HydrophobicContact CE2-CG 3.81Å; P1545-L1550 HydrophobicContact CB-CD1 4.23Å; P1545-L1550 HydrophobicContact CB-CD2 4.46Å; P1545-L1550 HydrophobicContact CB-CG 4.42Å; P1545-L1550 HydrophobicContact CG-CD1 4.06Å |
| 1546 | S | 79.1 | Confident | 81.4 | Confident | 54 Ų | 54 | 57.9 Ų | 57.9 | 38% | 0.378 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -71.7 | 144.7 | 178.1 | -180 | 0 | 0 | 0 | 0 | 111.6 | T1548 D1549 | S1546-T1548 WeakPolarHBondContact CB-OG1 3.1Å; S1546-T1548 PolarHBondContact O-N 3.29Å; S1546-T1548 VanDerWaalsContact O-N 3.1Å; S1546-T1548 PolarHBondContact OG-N 2.89Å; S1546-T1548 PolarHBondContact OG-OG1 2.86Å; S1546-D1549 WeakPolarHBondContact CB-OD2 3.32Å; S1546-D1549 PolarHBondContact O-N 2.83Å |
| 1547 | A | 82.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 14% | 0.14 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -19.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1528 E1529 L1532 | K1528-A1547 HydrophobicContact CB-CB 4.04Å; K1528-A1547 VanDerWaalsContact CD-O 3.31Å; K1528-A1547 WeakPolarHBondContact CD-O 3.39Å; E1529-A1547 HydrophobicContact CG-CB 4.04Å; L1532-A1547 HydrophobicContact CD1-CB 3.96Å |
| 1548 | T | 83.4 | Confident | 80.2 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 58% | 0.577 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.3 | -26.1 | 174.4 | 52.1 | 0 | 0 | 0 | 0 | 113.9 | S1546 | S1546-T1548 WeakPolarHBondContact CB-OG1 3.1Å; S1546-T1548 PolarHBondContact O-N 3.29Å; S1546-T1548 VanDerWaalsContact O-N 3.1Å; S1546-T1548 PolarHBondContact OG-N 2.89Å; S1546-T1548 PolarHBondContact OG-OG1 2.86Å |
| 1549 | D | 84.7 | Confident | 79.5 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | -6.2 | -167.1 | -52.5 | -11.5 | 0 | 0 | 0 | 111.7 | S1546 K1599 | S1546-D1549 WeakPolarHBondContact CB-OD2 3.32Å; S1546-D1549 PolarHBondContact O-N 2.83Å; D1549-K1599 VanDerWaalsContact O-CB 3.22Å; D1549-K1599 WeakPolarHBondContact O-CB 3.42Å; D1549-K1599 PolarHBondContact O-N 3.05Å |
| 1550 | L | 86.7 | Confident | 79.2 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.7 | 176.1 | -58.7 | 175 | 0 | 0 | 0 | 109.9 | F1508 K1528 L1532 P1545 L1596 V1597 | F1508-L1550 HydrophobicContact CE2-CD2 4.19Å; F1508-L1550 HydrophobicContact CZ-CD2 4.42Å; K1528-L1550 WeakPolarHBondContact CE-O 3.12Å; K1528-L1550 PolarHBondContact NZ-O 2.77Å; L1532-L1550 HydrophobicContact CD1-CD1 4.37Å; L1532-L1550 HydrophobicContact CD2-CD1 3.72Å; L1532-L1550 HydrophobicContact CG-CD1 4.32Å; P1545-L1550 HydrophobicContact CB-CD1 4.23Å; P1545-L1550 HydrophobicContact CB-CD2 4.46Å; P1545-L1550 HydrophobicContact CB-CG 4.42Å; P1545-L1550 HydrophobicContact CG-CD1 4.06Å; L1550-L1596 HydrophobicContact CB-CD2 4.18Å; L1550-L1596 HydrophobicContact CD1-CB 4.33Å; L1550-L1596 HydrophobicContact CD1-CD1 4.22Å; L1550-L1596 HydrophobicContact CD1-CD2 4.18Å; L1550-L1596 HydrophobicContact CD1-CG 4.5Å; L1550-V1597 CarbonylContact C-O 3.52Å; L1550-V1597 WeakPolarHBondContact CA-O 2.99Å |
| 1551 | D | 88.6 | Confident | 79.2 | Confident | 23 Ų | 23 | 71.1 Ų | 71.1 | 12% | 0.123 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 152.5 | 163 | -74.7 | -31.6 | 0 | 0 | 0 | 109.7 | K1528 T1563 V1597 K1599 | K1528-D1551 IonicContact NZ-OD1 3.84Å; D1551-T1563 HydrophobicContact CB-CG2 3.85Å; D1551-V1597 HydrophobicContact CB-CG2 4.26Å; D1551-V1597 PolarHBondContact N-O 2.96Å; D1551-V1597 PolarHBondContact O-N 2.69Å; D1551-K1599 IonicContact OD1-NZ 3.3Å; D1551-K1599 WeakPolarHBondContact OD2-CG 3.04Å |
| 1552 | L | 90.7 | Very high | 79.5 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 109.4 | -179.1 | -173.6 | 72.6 | 0 | 0 | 0 | 108.8 | I1524 V1527 K1528 L1564 L1594 A1595 L1596 | I1524-L1552 HydrophobicContact CG2-CB 4.06Å; I1524-L1552 HydrophobicContact CG2-CD2 3.87Å; V1527-L1552 HydrophobicContact CB-CD2 4.12Å; V1527-L1552 HydrophobicContact CG1-CD2 3.51Å; K1528-L1552 HydrophobicContact CG-CB 4.09Å; L1552-L1564 HydrophobicContact CD2-CD1 4.18Å; L1552-L1564 PolarHBondContact O-N 3.24Å; L1552-L1594 HydrophobicContact CD1-CB 4.17Å; L1552-L1594 HydrophobicContact CD1-CD1 4.28Å; L1552-L1594 HydrophobicContact CD2-CD1 4.24Å; L1552-A1595 WeakPolarHBondContact CA-O 3.47Å; L1552-L1596 HydrophobicContact CD1-CD2 3.75Å; L1552-L1596 HydrophobicContact CD1-CG 4.18Å |
| 1553 | E | 89.3 | Confident | 80 | Confident | 35 Ų | 35 | 71.1 Ų | 71.1 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 130 | 177.3 | -73.3 | -175.7 | 177.4 | 0 | 0 | 111.3 | L1562 L1594 A1595 V1597 | E1553-L1562 WeakPolarHBondContact CA-O 3.38Å; E1553-L1594 CarbonylContact O-C 3.53Å; E1553-L1594 VanDerWaalsContact O-CA 3.28Å; E1553-L1594 WeakPolarHBondContact O-CA 3.34Å; E1553-A1595 HydrophobicContact CB-CB 4.43Å; E1553-A1595 PolarHBondContact N-O 2.8Å; E1553-A1595 PolarHBondContact O-N 2.82Å; E1553-V1597 HydrophobicContact CB-CG2 4.46Å; E1553-V1597 HydrophobicContact CG-CG2 3.72Å |
| 1554 | W | 89.2 | Confident | 80.4 | Confident | 44 Ų | 44 | 62 Ų | 62 | 17% | 0.167 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 125.7 | 165.2 | -178.9 | 28.5 | 0 | 0 | 0 | 110.2 | T1556 R1561 L1562 L1564 V1588 P1589 L1594 | W1554-T1556 HydrophobicContact CD2-CG2 3.58Å; W1554-T1556 HydrophobicContact CE3-CG2 3.91Å; W1554-T1556 HydrophobicContact CG-CG2 4.16Å; W1554-T1556 HydrophobicContact CH2-CG2 3.88Å; W1554-T1556 HydrophobicContact CZ2-CG2 3.51Å; W1554-T1556 HydrophobicContact CZ3-CG2 4.07Å; W1554-R1561 WeakPolarHBondContact O-CA 3.31Å; W1554-L1562 HydrophobicContact CE3-CD2 4.42Å; W1554-L1562 PolarHBondContact N-O 2.68Å; W1554-L1562 PolarHBondContact O-N 3.14Å; W1554-L1564 HydrophobicContact CB-CD1 4.33Å; W1554-L1564 HydrophobicContact CB-CD2 4.34Å; W1554-L1564 HydrophobicContact CB-CG 4.42Å; W1554-V1588 HydrophobicContact CD2-CG2 4.17Å; W1554-V1588 HydrophobicContact CE3-CG2 4.06Å; W1554-V1588 HydrophobicContact CZ3-CG2 4.42Å; W1554-P1589 HydrophobicContact CZ2-CG 4.03Å; W1554-L1594 HydrophobicContact CB-CD2 3.73Å; W1554-L1594 HydrophobicContact CG-CD2 3.96Å |
| 1555 | R | 85.1 | Confident | 80.8 | Confident | 98 Ų | 98 | 63.5 Ų | 63.5 | 37% | 0.37 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 95.3 | -177.8 | -65.8 | -178.8 | 173.9 | 172.2 | 3.4 | 110.6 | T1505 G1557 S1593 | T1505-R1555 PolarHBondContact OG1-NH1 3.35Å; R1555-G1557 PolarHBondContact O-N 2.89Å; R1555-S1593 PolarHBondContact N-O 2.85Å |
| 1556 | T | 72 | Confident | 81.1 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | trans | -90.7 | 73.8 | 179.8 | 58.3 | 0 | 0 | 0 | 0 | 111.6 | W1554 G1560 | W1554-T1556 HydrophobicContact CD2-CG2 3.58Å; W1554-T1556 HydrophobicContact CE3-CG2 3.91Å; W1554-T1556 HydrophobicContact CG-CG2 4.16Å; W1554-T1556 HydrophobicContact CH2-CG2 3.88Å; W1554-T1556 HydrophobicContact CZ2-CG2 3.51Å; W1554-T1556 HydrophobicContact CZ3-CG2 4.07Å; T1556-G1560 PolarHBondContact N-O 2.82Å; T1556-G1560 WeakPolarHBondContact OG1-CA 3.48Å; T1556-G1560 PolarHBondContact OG1-O 2.75Å | ||
| 1557 | G | 65.4 | Low | 81.5 | Confident | 70 Ų | 70 | 65.8 Ų | 65.8 | 72% | 0.722 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | 56.6 | -146.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | R1555 S1559 | R1555-G1557 PolarHBondContact O-N 2.89Å; G1557-S1559 PolarHBondContact O-N 2.92Å |
| 1558 | V | 60.6 | Low | 81.7 | Confident | 152 Ų | 152 | 67.1 Ų | 67.1 | 92% | 0.921 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -73.6 | 2 | -165.2 | -149.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1559 | S | 53.6 | Low | 81.8 | Confident | 121 Ų | 121 | 70 Ų | 70 | 85% | 0.846 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -149.8 | 7.1 | -168.4 | -52.1 | 0 | 0 | 0 | 0 | 117.1 | G1557 | G1557-S1559 PolarHBondContact O-N 2.92Š|
| 1560 | G | 67.4 | Low | 81.8 | Confident | 25 Ų | 25 | 68.8 Ų | 68.8 | 26% | 0.258 | 39% | 0.386 | S | S | . | . | trans | -152.4 | 134.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1556 | T1556-G1560 PolarHBondContact N-O 2.82Å; T1556-G1560 WeakPolarHBondContact OG1-CA 3.48Å; T1556-G1560 PolarHBondContact OG1-O 2.75Å | ||
| 1561 | R | 80.2 | Confident | 81.8 | Confident | 191 Ų | 191 | 69.6 Ų | 69.6 | 72% | 0.721 | 39% | 0.391 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132 | 161.2 | -59.5 | -176.7 | -169.7 | 177.9 | 2.9 | 107.3 | W1554 | W1554-R1561 WeakPolarHBondContact O-CA 3.31Å |
| 1562 | L | 86.2 | Confident | 81.4 | Confident | 79 Ų | 79 | 75.1 Ų | 75.1 | 41% | 0.414 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 114.4 | 177.7 | -177.8 | 67.1 | 0 | 0 | 0 | 109.8 | E1553 W1554 L1564 Y1586 | E1553-L1562 WeakPolarHBondContact CA-O 3.38Å; W1554-L1562 HydrophobicContact CE3-CD2 4.42Å; W1554-L1562 PolarHBondContact N-O 2.68Å; W1554-L1562 PolarHBondContact O-N 3.14Å; L1562-L1564 HydrophobicContact CD2-CD2 3.89Å; L1562-L1564 HydrophobicContact CG-CD2 3.98Å; L1562-L1564 PolarHBondContact O-N 3.37Å; L1562-Y1586 HydrophobicContact CD2-CD1 4.1Å |
| 1563 | T | 88.9 | Confident | 80.9 | Confident | 52 Ų | 52 | 80.2 Ų | 80.2 | 32% | 0.319 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 116.5 | 172.6 | -45.6 | 0 | 0 | 0 | 0 | 109.6 | D1551 | D1551-T1563 HydrophobicContact CB-CG2 3.85Å |
| 1564 | L | 91.3 | Very high | 80 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 140.9 | 178.3 | -47.9 | -175.8 | 0 | 0 | 0 | 109.6 | I1524 L1552 W1554 L1562 L1583 Y1586 V1588 | I1524-L1564 HydrophobicContact CD1-CB 3.79Å; I1524-L1564 HydrophobicContact CD1-CD1 4.11Å; I1524-L1564 HydrophobicContact CG1-CB 3.98Å; I1524-L1564 HydrophobicContact CG2-CB 3.87Å; L1552-L1564 HydrophobicContact CD2-CD1 4.18Å; L1552-L1564 PolarHBondContact O-N 3.24Å; W1554-L1564 HydrophobicContact CB-CD1 4.33Å; W1554-L1564 HydrophobicContact CB-CD2 4.34Å; W1554-L1564 HydrophobicContact CB-CG 4.42Å; L1562-L1564 HydrophobicContact CD2-CD2 3.89Å; L1562-L1564 HydrophobicContact CG-CD2 3.98Å; L1562-L1564 PolarHBondContact O-N 3.37Å; L1564-L1583 HydrophobicContact CD1-CD2 4.06Å; L1564-Y1586 HydrophobicContact CB-CD2 4.34Å; L1564-Y1586 HydrophobicContact CB-CE2 4.03Å; L1564-Y1586 HydrophobicContact CD2-CD1 3.81Å; L1564-Y1586 HydrophobicContact CD2-CD2 3.91Å; L1564-Y1586 HydrophobicContact CD2-CE1 4.12Å; L1564-Y1586 HydrophobicContact CD2-CE2 4.18Å; L1564-Y1586 HydrophobicContact CD2-CG 3.69Å; L1564-Y1586 HydrophobicContact CG-CD2 4.49Å; L1564-V1588 HydrophobicContact CD1-CG2 4.11Å |
| 1565 | Q | 89.9 | Confident | 79 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 37% | 0.374 | 48% | 0.483 | S | S | . | . | trans | -141.3 | 146.7 | 179.4 | -60.8 | -176.2 | -7.9 | 0 | 0 | 110.7 | M1567 D1568 N1581 Y1586 | Q1565-M1567 PolarHBondContact O-N 3.14Å; Q1565-D1568 HydrophobicContact CB-CB 4.41Å; Q1565-N1581 VanDerWaalsContact O-CB 3.31Å; Q1565-N1581 WeakPolarHBondContact O-CB 3.43Å; Q1565-N1581 PolarHBondContact O-ND2 3.44Å; Q1565-N1581 VanDerWaalsContact O-ND2 3.11Å; Q1565-Y1586 PolarHBondContact N-OH 3.36Å; Q1565-Y1586 VanDerWaalsContact N-OH 3.12Å; Q1565-Y1586 PolarHBondContact O-OH 2.97Å | ||
| 1566 | D | 88.7 | Confident | 78.4 | Confident | 39 Ų | 39 | 81.2 Ų | 81.2 | 21% | 0.209 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -58.3 | -30.4 | 177 | -81.6 | -7.7 | 0 | 0 | 0 | 112.8 | T1523 I1524 S1525 I1580 N1581 | T1523-D1566 WeakPolarHBondContact CB-OD1 2.99Å; I1524-D1566 VanDerWaalsContact CA-OD1 3.31Å; I1524-D1566 WeakPolarHBondContact CA-OD1 3.4Å; I1524-D1566 VanDerWaalsContact CB-OD1 3.28Å; I1524-D1566 WeakPolarHBondContact CB-OD1 2.99Å; I1524-D1566 PolarHBondContact N-OD1 2.89Å; S1525-D1566 WeakPolarHBondContact CB-OD2 3.38Å; S1525-D1566 PolarHBondContact N-OD1 2.97Å; S1525-D1566 PolarHBondContact OG-OD2 2.84Å; D1566-I1580 HydrophobicContact CB-CG2 3.78Å; D1566-I1580 WeakPolarHBondContact O-CG2 3.01Å; D1566-N1581 WeakPolarHBondContact O-CB 3.4Å; D1566-N1581 PolarHBondContact O-N 3.01Å |
| 1567 | M | 87.2 | Confident | 78.8 | Confident | 100 Ų | 100 | 79.9 Ų | 79.9 | 49% | 0.493 | 48% | 0.476 | S | S | . | . | S | Bend | trans | -140.6 | 131.5 | 170.4 | -65.6 | -175 | -69.2 | 0 | 0 | 109.2 | Q1565 T1571 V1648 | Q1565-M1567 PolarHBondContact O-N 3.14Å; M1567-T1571 WeakPolarHBondContact CA-OG1 3.11Å; M1567-V1648 HydrophobicContact SD-CG1 4.5Å; M1567-V1648 HydrophobicContact SD-CG2 4.17Å |
| 1568 | D | 86.8 | Confident | 79.6 | Confident | 45 Ų | 45 | 79.2 Ų | 79.2 | 24% | 0.241 | 45% | 0.453 | C | S | . | . | trans | -146.7 | -167.8 | 176.1 | 70.4 | 3.9 | 0 | 0 | 0 | 110.9 | Q1565 T1570 T1571 N1581 Y1586 | Q1565-D1568 HydrophobicContact CB-CB 4.41Å; D1568-T1570 PolarHBondContact O-N 3.08Å; D1568-T1570 WeakPolarHBondContact OD1-CA 3.07Å; D1568-T1570 WeakPolarHBondContact OD1-CB 3.46Å; D1568-T1570 PolarHBondContact OD1-N 3.5Å; D1568-T1570 PolarHBondContact OD1-OG1 3.1Å; D1568-T1570 PolarHBondContact OD2-OG1 2.72Å; D1568-T1571 PolarHBondContact N-OG1 3.41Å; D1568-T1571 WeakPolarHBondContact O-CB 3.48Å; D1568-T1571 PolarHBondContact O-N 3.3Å; D1568-T1571 PolarHBondContact O-OG1 3.01Å; D1568-T1571 VanDerWaalsContact O-OG1 3.11Å; D1568-T1571 PolarHBondContact OD1-N 3.02Å; D1568-N1581 VanDerWaalsContact CG-ND2 3.3Å; D1568-N1581 PolarHBondContact OD1-ND2 3.01Å; D1568-Y1586 VanDerWaalsContact CG-OH 3.23Å; D1568-Y1586 WeakPolarHBondContact OD2-CE1 3.4Å; D1568-Y1586 PolarHBondContact OD2-OH 3.42Å | ||
| 1569 | V | 85.8 | Confident | 80.9 | Confident | 153 Ų | 153 | 76 Ų | 76 | 93% | 0.927 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -11.8 | 178.1 | -62.7 | 0 | 0 | 0 | 0 | 114.4 | ||
| 1570 | T | 85.4 | Confident | 82.6 | Confident | 72 Ų | 72 | 70.9 Ų | 70.9 | 44% | 0.442 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | -10.1 | 179.5 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | D1568 K1572 H1585 | D1568-T1570 PolarHBondContact O-N 3.08Å; D1568-T1570 WeakPolarHBondContact OD1-CA 3.07Å; D1568-T1570 WeakPolarHBondContact OD1-CB 3.46Å; D1568-T1570 PolarHBondContact OD1-N 3.5Å; D1568-T1570 PolarHBondContact OD1-OG1 3.1Å; D1568-T1570 PolarHBondContact OD2-OG1 2.72Å; T1570-K1572 PolarHBondContact O-N 3.15Å; T1570-H1585 PolarHBondContact O-CE1 2.78Å; T1570-H1585 PolarHBondContact OG1-NE2 2.83Å |
| 1571 | T | 86.2 | Confident | 83.9 | Confident | 20 Ų | 20 | 69.8 Ų | 69.8 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -53.6 | 123.1 | -178.5 | -61.3 | 0 | 0 | 0 | 0 | 112.5 | M1567 D1568 P1573 K1578 K1579 N1581 | M1567-T1571 WeakPolarHBondContact CA-OG1 3.11Å; D1568-T1571 PolarHBondContact N-OG1 3.41Å; D1568-T1571 WeakPolarHBondContact O-CB 3.48Å; D1568-T1571 PolarHBondContact O-N 3.3Å; D1568-T1571 PolarHBondContact O-OG1 3.01Å; D1568-T1571 VanDerWaalsContact O-OG1 3.11Å; D1568-T1571 PolarHBondContact OD1-N 3.02Å; T1571-P1573 WeakPolarHBondContact O-CD 3.45Å; T1571-K1578 HydrophobicContact CG2-CB 4.15Å; T1571-K1579 WeakPolarHBondContact CG2-O 3.26Å; T1571-N1581 VanDerWaalsContact CA-OD1 3.32Å; T1571-N1581 WeakPolarHBondContact CA-OD1 3.4Å; T1571-N1581 WeakPolarHBondContact CB-OD1 3.39Å; T1571-N1581 PolarHBondContact OG1-ND2 2.98Å; T1571-N1581 PolarHBondContact OG1-OD1 3.44Å |
| 1572 | K | 79.7 | Confident | 84.5 | Confident | 140 Ų | 140 | 61.1 Ų | 61.1 | 61% | 0.609 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 120.1 | -175.7 | -66.1 | 178.7 | -175.1 | 172.8 | 0 | 111.5 | T1570 K1579 | T1570-K1572 PolarHBondContact O-N 3.15Å; K1572-K1579 PolarHBondContact O-N 3.4Å |
| 1573 | P | 80.2 | Confident | 84.8 | Confident | 106 Ų | 106 | 57.4 Ų | 57.4 | 69% | 0.688 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 141 | 168.6 | 32.8 | -33 | 0 | 0 | 0 | 110.6 | T1571 | T1571-P1573 WeakPolarHBondContact O-CD 3.45Å |
| 1574 | D | 70 | Confident | 84.9 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 32% | 0.316 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 100.9 | -176.1 | 177.2 | 2.9 | 0 | 0 | 0 | 109.6 | G1576 W1577 Y1649 K1653 | D1574-G1576 PolarHBondContact O-N 3.39Å; D1574-G1576 VanDerWaalsContact O-N 3.15Å; D1574-W1577 PolarHBondContact N-O 2.95Å; D1574-W1577 WeakPolarHBondContact O-CA 3.37Å; D1574-W1577 WeakPolarHBondContact O-CB 3.38Å; D1574-W1577 PolarHBondContact O-N 3.25Å; D1574-Y1649 PolarHBondContact OD2-OH 3.5Å; D1574-K1653 VanDerWaalsContact CG-NZ 3.3Å; D1574-K1653 IonicContact OD1-NZ 3.39Å; D1574-K1653 PolarHBondContact OD1-NZ 2.96Å; D1574-K1653 VanDerWaalsContact OD2-CE 3.28Å; D1574-K1653 WeakPolarHBondContact OD2-CE 3.44Å; D1574-K1653 IonicContact OD2-NZ 2.68Å; D1574-K1653 PolarHBondContact OD2-NZ 3.1Å |
| 1575 | A | 69.5 | Low | 84.9 | Confident | 93 Ų | 93 | 59.3 Ų | 59.3 | 77% | 0.769 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46 | 48.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | W1577 | A1575-W1577 VanDerWaalsContact C-N 3.33Š|
| 1576 | G | 72.4 | Confident | 85 | Confident | 46 Ų | 46 | 56.8 Ų | 56.8 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D1574 C1646 K1647 | D1574-G1576 PolarHBondContact O-N 3.39Å; D1574-G1576 VanDerWaalsContact O-N 3.15Å; G1576-C1646 VanDerWaalsContact O-CA 3.27Å; G1576-C1646 WeakPolarHBondContact O-CA 3.44Å; G1576-K1647 PolarHBondContact O-N 3.34Å |
| 1577 | W | 78.7 | Confident | 85 | Confident | 34 Ų | 34 | 63.2 Ų | 63.2 | 13% | 0.129 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 159.7 | 170.2 | -61.9 | 77.4 | 0 | 0 | 0 | 110.8 | D1574 A1575 K1647 Y1649 P1654 H1655 | D1574-W1577 PolarHBondContact N-O 2.95Å; D1574-W1577 WeakPolarHBondContact O-CA 3.37Å; D1574-W1577 WeakPolarHBondContact O-CB 3.38Å; D1574-W1577 PolarHBondContact O-N 3.25Å; A1575-W1577 VanDerWaalsContact C-N 3.33Å; W1577-K1647 CarbonylContact C-O 3.59Å; W1577-K1647 WeakPolarHBondContact CA-O 2.96Å; W1577-K1647 HydrophobicContact CD2-CB 3.7Å; W1577-K1647 HydrophobicContact CD2-CD 4.43Å; W1577-K1647 HydrophobicContact CE3-CB 3.35Å; W1577-K1647 HydrophobicContact CE3-CD 4.41Å; W1577-K1647 HydrophobicContact CG-CB 4.45Å; W1577-K1647 HydrophobicContact CH2-CB 3.87Å; W1577-K1647 HydrophobicContact CH2-CD 3.45Å; W1577-K1647 VanDerWaalsContact CH2-CD 3.45Å; W1577-K1647 HydrophobicContact CH2-CG 4.32Å; W1577-K1647 HydrophobicContact CZ2-CB 4.17Å; W1577-K1647 HydrophobicContact CZ2-CD 3.44Å; W1577-K1647 VanDerWaalsContact CZ2-CD 3.44Å; W1577-K1647 HydrophobicContact CZ2-CG 4.47Å; W1577-K1647 HydrophobicContact CZ3-CB 3.44Å; W1577-K1647 VanDerWaalsContact CZ3-CB 3.44Å; W1577-K1647 HydrophobicContact CZ3-CD 3.96Å; W1577-K1647 HydrophobicContact CZ3-CG 4.36Å; W1577-Y1649 HydrophobicContact CB-CD1 3.79Å; W1577-Y1649 HydrophobicContact CB-CE1 3.96Å; W1577-Y1649 HydrophobicContact CE3-CD1 4.32Å; W1577-Y1649 HydrophobicContact CG-CD1 4.49Å; W1577-P1654 HydrophobicContact CH2-CB 4.39Å; W1577-P1654 HydrophobicContact CH2-CG 3.89Å; W1577-P1654 HydrophobicContact CZ3-CG 4.11Å; W1577-H1655 AromaticContact CZ2-CD2 3.63Å; W1577-H1655 AromaticContact CZ2-NE2 3.85Å |
| 1578 | K | 83.8 | Confident | 85.1 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 25% | 0.248 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 131.2 | 166.2 | -70.6 | 172.8 | 179.6 | 173.1 | 0 | 107.8 | T1571 T1644 C1646 K1647 V1648 Y1649 | T1571-K1578 HydrophobicContact CG2-CB 4.15Å; K1578-T1644 PolarHBondContact NZ-OG1 3.17Å; K1578-T1644 VanDerWaalsContact NZ-OG1 3.11Å; K1578-C1646 HydrophobicContact CD-CB 4.03Å; K1578-C1646 HydrophobicContact CG-CB 3.88Å; K1578-K1647 PolarHBondContact N-O 2.66Å; K1578-V1648 WeakPolarHBondContact O-CA 3.48Å; K1578-Y1649 WeakPolarHBondContact O-CD1 3.33Å; K1578-Y1649 PolarHBondContact O-N 2.04Å |
| 1579 | K | 87.1 | Confident | 85.3 | Confident | 83 Ų | 83 | 59.8 Ų | 59.8 | 36% | 0.361 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132.4 | 173.1 | -166.7 | 177.5 | 178.8 | 179 | 0 | 109.2 | T1571 K1572 Y1649 H1650 | T1571-K1579 WeakPolarHBondContact CG2-O 3.26Å; K1572-K1579 PolarHBondContact O-N 3.4Å; K1579-Y1649 CarbonylContact C-O 3.56Å; K1579-Y1649 WeakPolarHBondContact CA-O 3.01Å; K1579-Y1649 HydrophobicContact CB-CD1 4.33Å; K1579-Y1649 HydrophobicContact CB-CE1 3.65Å; K1579-Y1649 HydrophobicContact CB-CE2 4.34Å; K1579-Y1649 HydrophobicContact CD-CE2 4.17Å; K1579-Y1649 HydrophobicContact CG-CD2 4.49Å; K1579-Y1649 HydrophobicContact CG-CE1 4.17Å; K1579-Y1649 HydrophobicContact CG-CE2 3.96Å; K1579-H1650 WeakPolarHBondContact CE-O 3.28Å |
| 1580 | I | 90.2 | Very high | 85.5 | Confident | 15 Ų | 15 | 56.6 Ų | 56.6 | 8% | 0.077 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 137.4 | 173.2 | -61.2 | -178.4 | 0 | 0 | 0 | 109.6 | L1477 T1523 D1566 V1648 Y1649 H1650 | L1477-I1580 HydrophobicContact CD1-CD1 4.01Å; L1477-I1580 HydrophobicContact CD2-CD1 4.11Å; L1477-I1580 HydrophobicContact CG-CD1 4.05Å; T1523-I1580 HydrophobicContact CG2-CB 4.12Å; T1523-I1580 HydrophobicContact CG2-CG2 3.44Å; T1523-I1580 VanDerWaalsContact CG2-CG2 3.44Å; D1566-I1580 HydrophobicContact CB-CG2 3.78Å; D1566-I1580 WeakPolarHBondContact O-CG2 3.01Å; I1580-V1648 HydrophobicContact CD1-CG1 3.83Å; I1580-V1648 HydrophobicContact CG1-CG1 3.38Å; I1580-Y1649 PolarHBondContact N-O 3.22Å; I1580-H1650 HydrophobicContact CD1-CB 4.31Å |
| 1581 | N | 93 | Very high | 85.6 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 134.3 | 177.5 | -65.2 | -10.3 | 0 | 0 | 0 | 110.5 | Q1565 D1566 D1568 T1571 H1585 Y1586 | Q1565-N1581 VanDerWaalsContact O-CB 3.31Å; Q1565-N1581 WeakPolarHBondContact O-CB 3.43Å; Q1565-N1581 PolarHBondContact O-ND2 3.44Å; Q1565-N1581 VanDerWaalsContact O-ND2 3.11Å; D1566-N1581 WeakPolarHBondContact O-CB 3.4Å; D1566-N1581 PolarHBondContact O-N 3.01Å; D1568-N1581 VanDerWaalsContact CG-ND2 3.3Å; D1568-N1581 PolarHBondContact OD1-ND2 3.01Å; T1571-N1581 VanDerWaalsContact CA-OD1 3.32Å; T1571-N1581 WeakPolarHBondContact CA-OD1 3.4Å; T1571-N1581 WeakPolarHBondContact CB-OD1 3.39Å; T1571-N1581 PolarHBondContact OG1-ND2 2.98Å; T1571-N1581 PolarHBondContact OG1-OD1 3.44Å; N1581-H1585 PolarHBondContact OD1-NE2 2.61Å; N1581-Y1586 HydrophobicContact CB-CE2 3.77Å; N1581-Y1586 PolarHBondContact ND2-OH 2.98Å |
| 1582 | T | 93 | Very high | 85.8 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | B | Isolated β-bridge | trans | -119.3 | 174.6 | 176.4 | 73.4 | 0 | 0 | 0 | 0 | 111.2 | D1520 D1522 A1584 H1585 Y1586 H1650 | D1520-T1582 WeakPolarHBondContact O-CB 3.45Å; D1520-T1582 PolarHBondContact O-OG1 2.85Å; D1522-T1582 WeakPolarHBondContact O-CA 3.47Å; D1522-T1582 WeakPolarHBondContact O-CB 3.48Å; T1582-A1584 PolarHBondContact O-N 2.88Å; T1582-A1584 PolarHBondContact OG1-N 3.49Å; T1582-H1585 WeakPolarHBondContact O-CB 3.48Å; T1582-H1585 PolarHBondContact O-N 2.74Å; T1582-H1585 PolarHBondContact OG1-N 3.01Å; T1582-Y1586 WeakPolarHBondContact O-CD2 3.46Å; T1582-Y1586 PolarHBondContact O-N 3.46Å; T1582-H1650 VanDerWaalsContact CG2-NE2 3.31Å; T1582-H1650 WeakPolarHBondContact CG2-NE2 3.46Å |
| 1583 | L | 92.5 | Very high | 86.2 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -57.8 | -35.9 | 173.6 | -66.6 | -179.4 | 0 | 0 | 0 | 113.1 | L1500 V1518 D1520 D1522 I1524 V1527 L1564 H1585 Y1586 K1587 V1588 | L1500-L1583 HydrophobicContact CD1-CB 4.33Å; L1500-L1583 HydrophobicContact CD1-CD1 4.24Å; V1518-L1583 HydrophobicContact CB-CD1 4.17Å; V1518-L1583 HydrophobicContact CG2-CD1 3.42Å; V1518-L1583 VanDerWaalsContact CG2-CD1 3.42Å; D1520-L1583 PolarHBondContact O-N 2.49Å; D1522-L1583 PolarHBondContact O-N 2.81Å; I1524-L1583 HydrophobicContact CD1-CD2 4.13Å; V1527-L1583 HydrophobicContact CG2-CD1 3.59Å; V1527-L1583 HydrophobicContact CG2-CD2 4.07Å; V1527-L1583 HydrophobicContact CG2-CG 3.7Å; L1564-L1583 HydrophobicContact CD1-CD2 4.06Å; L1583-H1585 VanDerWaalsContact C-N 3.32Å; L1583-H1585 PolarHBondContact O-N 2.65Å; L1583-Y1586 CarbonylContact O-C 3.48Å; L1583-Y1586 PolarHBondContact O-N 3.46Å; L1583-K1587 PolarHBondContact O-N 3.46Å; L1583-V1588 HydrophobicContact CB-CB 4.3Å; L1583-V1588 HydrophobicContact CD2-CB 4.2Å; L1583-V1588 HydrophobicContact CD2-CG2 3.91Å; L1583-V1588 PolarHBondContact O-N 3.19Å |
| 1584 | A | 91.4 | Very high | 86.6 | Confident | 47 Ų | 47 | 47 Ų | 47 | 39% | 0.388 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64 | -33.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | D1520 T1582 K1587 | D1520-A1584 HydrophobicContact CB-CB 3.99Å; D1520-A1584 VanDerWaalsContact O-CB 3.22Å; D1520-A1584 WeakPolarHBondContact O-CB 3.38Å; D1520-A1584 PolarHBondContact O-N 2.82Å; T1582-A1584 PolarHBondContact O-N 2.88Å; T1582-A1584 PolarHBondContact OG1-N 3.49Å; A1584-K1587 PolarHBondContact O-N 2.87Å |
| 1585 | H | 92 | Very high | 87.5 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 21% | 0.213 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.7 | -42 | 175.5 | 174.7 | 78.7 | 0 | 0 | 0 | 111.4 | T1570 N1581 T1582 L1583 K1587 | T1570-H1585 PolarHBondContact O-CE1 2.78Å; T1570-H1585 PolarHBondContact OG1-NE2 2.83Å; N1581-H1585 PolarHBondContact OD1-NE2 2.61Å; T1582-H1585 WeakPolarHBondContact O-CB 3.48Å; T1582-H1585 PolarHBondContact O-N 2.74Å; T1582-H1585 PolarHBondContact OG1-N 3.01Å; L1583-H1585 VanDerWaalsContact C-N 3.32Å; L1583-H1585 PolarHBondContact O-N 2.65Å; H1585-K1587 VanDerWaalsContact C-N 3.32Å |
| 1586 | Y | 91.3 | Very high | 88.4 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -81.5 | -6.1 | 174.1 | -66.6 | -72.9 | 0 | 0 | 0 | 114.5 | I1524 L1562 L1564 Q1565 D1568 N1581 T1582 L1583 V1588 | I1524-Y1586 HydrophobicContact CD1-CD2 3.92Å; I1524-Y1586 HydrophobicContact CD1-CE2 3.84Å; I1524-Y1586 HydrophobicContact CG1-CE2 3.92Å; L1562-Y1586 HydrophobicContact CD2-CD1 4.1Å; L1564-Y1586 HydrophobicContact CB-CD2 4.34Å; L1564-Y1586 HydrophobicContact CB-CE2 4.03Å; L1564-Y1586 HydrophobicContact CD2-CD1 3.81Å; L1564-Y1586 HydrophobicContact CD2-CD2 3.91Å; L1564-Y1586 HydrophobicContact CD2-CE1 4.12Å; L1564-Y1586 HydrophobicContact CD2-CE2 4.18Å; L1564-Y1586 HydrophobicContact CD2-CG 3.69Å; L1564-Y1586 HydrophobicContact CG-CD2 4.49Å; Q1565-Y1586 PolarHBondContact N-OH 3.36Å; Q1565-Y1586 VanDerWaalsContact N-OH 3.12Å; Q1565-Y1586 PolarHBondContact O-OH 2.97Å; D1568-Y1586 VanDerWaalsContact CG-OH 3.23Å; D1568-Y1586 WeakPolarHBondContact OD2-CE1 3.4Å; D1568-Y1586 PolarHBondContact OD2-OH 3.42Å; N1581-Y1586 HydrophobicContact CB-CE2 3.77Å; N1581-Y1586 PolarHBondContact ND2-OH 2.98Å; T1582-Y1586 WeakPolarHBondContact O-CD2 3.46Å; T1582-Y1586 PolarHBondContact O-N 3.46Å; L1583-Y1586 CarbonylContact O-C 3.48Å; L1583-Y1586 PolarHBondContact O-N 3.46Å; Y1586-V1588 VanDerWaalsContact C-N 3.31Å; Y1586-V1588 PolarHBondContact O-N 3.43Å |
| 1587 | K | 89.6 | Confident | 89 | Confident | 174 Ų | 174 | 39.1 Ų | 39.1 | 76% | 0.757 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 39.8 | -175.8 | -54.7 | 179.9 | 178.7 | -179.8 | 0 | 113.7 | L1583 A1584 H1585 P1589 | L1583-K1587 PolarHBondContact O-N 3.46Å; A1584-K1587 PolarHBondContact O-N 2.87Å; H1585-K1587 VanDerWaalsContact C-N 3.32Å; K1587-P1589 WeakPolarHBondContact O-CD 3.25Å |
| 1588 | V | 89.4 | Confident | 89.2 | Confident | 8 Ų | 8 | 40.4 Ų | 40.4 | 5% | 0.048 | 22% | 0.217 | C | C | . | . | P | Polyproline II helix | trans | -64.9 | 122.1 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 109 | W1554 L1564 L1583 Y1586 A1592 L1594 | W1554-V1588 HydrophobicContact CD2-CG2 4.17Å; W1554-V1588 HydrophobicContact CE3-CG2 4.06Å; W1554-V1588 HydrophobicContact CZ3-CG2 4.42Å; L1564-V1588 HydrophobicContact CD1-CG2 4.11Å; L1583-V1588 HydrophobicContact CB-CB 4.3Å; L1583-V1588 HydrophobicContact CD2-CB 4.2Å; L1583-V1588 HydrophobicContact CD2-CG2 3.91Å; L1583-V1588 PolarHBondContact O-N 3.19Å; Y1586-V1588 VanDerWaalsContact C-N 3.31Å; Y1586-V1588 PolarHBondContact O-N 3.43Å; V1588-A1592 HydrophobicContact CG1-CB 3.46Å; V1588-A1592 VanDerWaalsContact CG1-CB 3.46Å; V1588-L1594 HydrophobicContact CG1-CD2 4.43Å |
| 1589 | P | 89.4 | Confident | 88.8 | Confident | 66 Ų | 66 | 43 Ų | 43 | 43% | 0.429 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -78.1 | 164.7 | -178.2 | 32.7 | -35.5 | 0 | 0 | 0 | 111.9 | W1554 K1587 A1592 | W1554-P1589 HydrophobicContact CZ2-CG 4.03Å; K1587-P1589 WeakPolarHBondContact O-CD 3.25Å; P1589-A1592 HydrophobicContact CG-CB 4.23Å; P1589-A1592 VanDerWaalsContact O-CB 3.27Å; P1589-A1592 WeakPolarHBondContact O-CB 3.09Å; P1589-A1592 PolarHBondContact O-N 2.88Å |
| 1590 | N | 89.9 | Confident | 87.6 | Confident | 85 Ų | 85 | 47.9 Ų | 47.9 | 46% | 0.455 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 145.7 | 166.8 | -166.5 | 34.3 | 0 | 0 | 0 | 110.4 | L1500 V1501 A1592 | L1500-N1590 HydrophobicContact CD2-CB 4.04Å; V1501-N1590 PolarHBondContact N-OD1 2.79Å; V1501-N1590 PolarHBondContact O-OD1 2.9Å; N1590-A1592 VanDerWaalsContact C-N 3.3Å; N1590-A1592 PolarHBondContact O-N 3.06Å |
| 1591 | N | 89.2 | Confident | 85.8 | Confident | 92 Ų | 92 | 52.3 Ų | 52.3 | 49% | 0.492 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 26.1 | -172.8 | -55.9 | -15.7 | 0 | 0 | 0 | 115 | V1501 Y1503 | V1501-N1591 VanDerWaalsContact O-CA 3.23Å; V1501-N1591 WeakPolarHBondContact O-CA 3.48Å; V1501-N1591 PolarHBondContact O-N 2.87Å; Y1503-N1591 HydrophobicContact CD2-CB 4.33Å; Y1503-N1591 HydrophobicContact CE2-CB 3.93Å |
| 1592 | A | 88.9 | Confident | 83.2 | Confident | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | trans | -71.4 | 135 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1502 Y1503 V1588 P1589 N1590 | V1502-A1592 WeakPolarHBondContact CA-O 3.44Å; V1502-A1592 HydrophobicContact CG1-CB 4.46Å; Y1503-A1592 PolarHBondContact N-O 2.96Å; V1588-A1592 HydrophobicContact CG1-CB 3.46Å; V1588-A1592 VanDerWaalsContact CG1-CB 3.46Å; P1589-A1592 HydrophobicContact CG-CB 4.23Å; P1589-A1592 VanDerWaalsContact O-CB 3.27Å; P1589-A1592 WeakPolarHBondContact O-CB 3.09Å; P1589-A1592 PolarHBondContact O-N 2.88Å; N1590-A1592 VanDerWaalsContact C-N 3.3Å; N1590-A1592 PolarHBondContact O-N 3.06Å | ||
| 1593 | S | 88.7 | Confident | 80.4 | Confident | 39 Ų | 39 | 64.8 Ų | 64.8 | 27% | 0.273 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 116.7 | 169.2 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | Y1503 E1513 R1555 | Y1503-S1593 CarbonylContact O-C 3.57Å; Y1503-S1593 VanDerWaalsContact O-CA 3.3Å; Y1503-S1593 WeakPolarHBondContact O-CA 3.41Å; E1513-S1593 PolarHBondContact OE1-OG 2.8Å; E1513-S1593 VanDerWaalsContact OE1-OG 3.08Å; R1555-S1593 PolarHBondContact N-O 2.85Å |
| 1594 | L | 89.5 | Confident | 77.8 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 160.9 | 173.5 | -56.5 | -179.4 | 0 | 0 | 0 | 110.4 | V1502 Y1503 V1504 T1505 V1527 L1552 E1553 W1554 V1588 | V1502-L1594 HydrophobicContact CB-CD1 3.8Å; V1502-L1594 HydrophobicContact CB-CG 4.17Å; V1502-L1594 HydrophobicContact CG1-CD1 4.05Å; V1502-L1594 HydrophobicContact CG2-CD1 3.77Å; Y1503-L1594 PolarHBondContact O-N 3.03Å; V1504-L1594 WeakPolarHBondContact CA-O 3.41Å; V1504-L1594 HydrophobicContact CG2-CB 4.35Å; T1505-L1594 PolarHBondContact N-O 3.04Å; T1505-L1594 PolarHBondContact OG1-O 2.92Å; V1527-L1594 HydrophobicContact CG1-CD1 4.28Å; L1552-L1594 HydrophobicContact CD1-CB 4.17Å; L1552-L1594 HydrophobicContact CD1-CD1 4.28Å; L1552-L1594 HydrophobicContact CD2-CD1 4.24Å; E1553-L1594 CarbonylContact O-C 3.53Å; E1553-L1594 VanDerWaalsContact O-CA 3.28Å; E1553-L1594 WeakPolarHBondContact O-CA 3.34Å; W1554-L1594 HydrophobicContact CB-CD2 3.73Å; W1554-L1594 HydrophobicContact CG-CD2 3.96Å; V1588-L1594 HydrophobicContact CG1-CD2 4.43Å |
| 1595 | A | 88.4 | Confident | 75.1 | Confident | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 130.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T1505 L1552 E1553 | T1505-A1595 WeakPolarHBondContact O-CA 3.03Å; T1505-A1595 VanDerWaalsContact OG1-CB 3.31Å; T1505-A1595 WeakPolarHBondContact OG1-CB 3.06Å; L1552-A1595 WeakPolarHBondContact CA-O 3.47Å; E1553-A1595 HydrophobicContact CB-CB 4.43Å; E1553-A1595 PolarHBondContact N-O 2.8Å; E1553-A1595 PolarHBondContact O-N 2.82Å |
| 1596 | L | 87.2 | Confident | 72.4 | Confident | 4 Ų | 4 | 83.8 Ų | 83.8 | 2% | 0.021 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 108.1 | 166.3 | -79.4 | 175.6 | 0 | 0 | 0 | 108.5 | V1504 T1505 G1507 K1528 C1531 L1532 I1535 L1550 L1552 | V1504-L1596 HydrophobicContact CG1-CD1 4.32Å; V1504-L1596 HydrophobicContact CG1-CG 4.14Å; T1505-L1596 PolarHBondContact O-N 3.44Å; G1507-L1596 VanDerWaalsContact CA-O 3.31Å; G1507-L1596 WeakPolarHBondContact CA-O 3.37Å; G1507-L1596 PolarHBondContact N-O 3.05Å; K1528-L1596 HydrophobicContact CB-CD2 4.27Å; K1528-L1596 HydrophobicContact CG-CD2 3.85Å; C1531-L1596 HydrophobicContact CB-CD1 3.64Å; C1531-L1596 HydrophobicContact CB-CG 4.29Å; L1532-L1596 HydrophobicContact CD2-CD1 4.27Å; L1532-L1596 HydrophobicContact CG-CD1 4.32Å; I1535-L1596 HydrophobicContact CD1-CD1 3.89Å; L1550-L1596 HydrophobicContact CB-CD2 4.18Å; L1550-L1596 HydrophobicContact CD1-CB 4.33Å; L1550-L1596 HydrophobicContact CD1-CD1 4.22Å; L1550-L1596 HydrophobicContact CD1-CD2 4.18Å; L1550-L1596 HydrophobicContact CD1-CG 4.5Å; L1552-L1596 HydrophobicContact CD1-CD2 3.75Å; L1552-L1596 HydrophobicContact CD1-CG 4.18Å |
| 1597 | V | 85.1 | Confident | 69.7 | Low | 29 Ų | 29 | 88.3 Ų | 88.3 | 18% | 0.176 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.2 | -179.5 | -81.9 | 0 | 0 | 0 | 0 | 111 | L1550 D1551 E1553 K1599 | L1550-V1597 CarbonylContact C-O 3.52Å; L1550-V1597 WeakPolarHBondContact CA-O 2.99Å; D1551-V1597 HydrophobicContact CB-CG2 4.26Å; D1551-V1597 PolarHBondContact N-O 2.96Å; D1551-V1597 PolarHBondContact O-N 2.69Å; E1553-V1597 HydrophobicContact CB-CG2 4.46Å; E1553-V1597 HydrophobicContact CG-CG2 3.72Å; V1597-K1599 PolarHBondContact O-N 3.07Å |
| 1598 | P | 82.7 | Confident | 67.2 | Low | 62 Ų | 62 | 85.6 Ų | 85.6 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 131.7 | 172.4 | -24.4 | 34.8 | 0 | 0 | 0 | 111.6 | F1508 Q1600 | F1508-P1598 HydrophobicContact CE1-CG 3.7Å; F1508-P1598 HydrophobicContact CE2-CG 4.37Å; F1508-P1598 HydrophobicContact CZ-CG 3.6Å; P1598-Q1600 PolarHBondContact O-N 3.15Å |
| 1599 | K | 76.2 | Confident | 64.6 | Low | 110 Ų | 110 | 92.4 Ų | 92.4 | 48% | 0.478 | 50% | 0.5 | S | S | . | . | trans | -66.2 | 112.1 | -179.1 | -176.7 | 161.1 | -163 | 166.7 | 0 | 110.9 | D1549 D1551 V1597 S1601 | D1549-K1599 VanDerWaalsContact O-CB 3.22Å; D1549-K1599 WeakPolarHBondContact O-CB 3.42Å; D1549-K1599 PolarHBondContact O-N 3.05Å; D1551-K1599 IonicContact OD1-NZ 3.3Å; D1551-K1599 WeakPolarHBondContact OD2-CG 3.04Å; V1597-K1599 PolarHBondContact O-N 3.07Å; K1599-S1601 PolarHBondContact O-N 2.91Å | ||
| 1600 | Q | 62.8 | Low | 61.9 | Low | 186 Ų | 186 | 94.7 Ų | 94.7 | 87% | 0.869 | 52% | 0.518 | S | S | * | . | trans | -71.7 | 103.8 | 179.7 | -68.3 | -169 | 6.2 | 0 | 0 | 110.9 | P1598 S1602 | P1598-Q1600 PolarHBondContact O-N 3.15Å; Q1600-S1602 PolarHBondContact O-N 2.77Å; Q1600-S1602 VanDerWaalsContact O-N 3.09Å | ||
| 1601 | S | 50.7 | Low | 59 | Low | 109 Ų | 109 | 98.9 Ų | 98.9 | 76% | 0.762 | 54% | 0.535 | S | S | * | . | trans | -70.2 | 100.7 | 177.1 | 44.4 | 0 | 0 | 0 | 0 | 111.5 | K1599 M1603 | K1599-S1601 PolarHBondContact O-N 2.91Å; S1601-M1603 PolarHBondContact O-N 2.97Å | ||
| 1602 | S | 38.2 | Very low | 56.4 | Low | 103 Ų | 103 | 104.8 Ų | 104.8 | 72% | 0.72 | 55% | 0.55 | S | S | * | * | trans | -58.1 | 123.9 | 171.8 | 58.6 | 0 | 0 | 0 | 0 | 111 | Q1600 Y1604 | Q1600-S1602 PolarHBondContact O-N 2.77Å; Q1600-S1602 VanDerWaalsContact O-N 3.09Å; S1602-Y1604 PolarHBondContact O-N 3.18Å | ||
| 1603 | M | 35.1 | Very low | 53.6 | Low | 170 Ų | 170 | 108.5 Ų | 108.5 | 84% | 0.837 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -69.3 | 28 | -164.3 | -60.3 | -164.7 | -67.1 | 0 | 0 | 117.5 | S1601 | S1601-M1603 PolarHBondContact O-N 2.97Š|
| 1604 | Y | 37 | Very low | 50.7 | Low | 217 Ų | 217 | 112 Ų | 112 | 85% | 0.851 | 59% | 0.591 | S | S | * | * | trans | -102.8 | 4.2 | -168 | -94.4 | -78.1 | 0 | 0 | 0 | 117.5 | S1602 | S1602-Y1604 PolarHBondContact O-N 3.18Š| ||
| 1605 | N | 35 | Very low | 47.9 | Very low | 139 Ų | 139 | 121 Ų | 121 | 74% | 0.743 | 63% | 0.631 | S | S | * | * | trans | -105.3 | 18.6 | 179.8 | -89 | -30.2 | 0 | 0 | 0 | 115.2 | S1607 | N1605-S1607 PolarHBondContact O-N 2.91Å; N1605-S1607 VanDerWaalsContact O-N 3.13Å | ||
| 1606 | L | 35.2 | Very low | 45.1 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 71% | 0.712 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -5.1 | -177.5 | -111.6 | 85.6 | 0 | 0 | 0 | 115.7 | L1609 | L1606-L1609 HydrophobicContact CG-CD1 4.39Š|
| 1607 | S | 34.7 | Very low | 42.2 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 84% | 0.839 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | 8.9 | -171.3 | -55.5 | 0 | 0 | 0 | 0 | 115.9 | N1605 | N1605-S1607 PolarHBondContact O-N 2.91Å; N1605-S1607 VanDerWaalsContact O-N 3.13Å |
| 1608 | L | 37.1 | Very low | 39.4 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 62% | 0.618 | 73% | 0.726 | S | S | * | * | trans | -121.3 | 10.9 | 177.6 | -86 | 165.6 | 0 | 0 | 0 | 114.2 | S1610 | L1608-S1610 PolarHBondContact O-N 2.83Š| ||
| 1609 | L | 34.8 | Very low | 36.7 | Very low | 150 Ų | 150 | 140.4 Ų | 140.4 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 24.9 | -173.2 | -69.3 | 167.9 | 0 | 0 | 0 | 114.8 | L1606 | L1606-L1609 HydrophobicContact CG-CD1 4.39Š|
| 1610 | S | 33 | Very low | 34.3 | Very low | 114 Ų | 114 | 138.5 Ų | 138.5 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.5 | -12.9 | -179.2 | -168.1 | 0 | 0 | 0 | 0 | 115.3 | L1608 | L1608-S1610 PolarHBondContact O-N 2.83Š|
| 1611 | E | 30.5 | Very low | 32.6 | Very low | 174 Ų | 174 | 136.5 Ų | 136.5 | 81% | 0.813 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -140.5 | 20.5 | -167.9 | -76.9 | -166.2 | 136.7 | 0 | 0 | 115.8 | ||
| 1612 | R | 34.7 | Very low | 31.5 | Very low | 216 Ų | 216 | 139.8 Ų | 139.8 | 82% | 0.815 | 74% | 0.739 | S | S | * | * | trans | -129.7 | 49 | 178.8 | -83.5 | -176.8 | 162.6 | 137.3 | -8.8 | 114.7 | ||||
| 1613 | S | 29.5 | Very low | 30.9 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 57% | 0.573 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -91.4 | 169.6 | 142.2 | 68.2 | 0 | 0 | 0 | 0 | 109.7 | K1615 | S1613-K1615 PolarHBondContact O-N 2.95Š|
| 1614 | D | 28.4 | Very low | 30.5 | Very low | 112 Ų | 112 | 137.5 Ų | 137.5 | 60% | 0.599 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 74.1 | 15.5 | 166.9 | -48.6 | -20.8 | 0 | 0 | 0 | 118.5 | S1617 R1902 | D1614-S1617 PolarHBondContact O-OG 3.14Å; D1614-R1902 IonicContact OD2-NH2 2.65Å; D1614-R1902 PolarHBondContact OD2-NH2 2.04Å |
| 1615 | K | 30.6 | Very low | 30.1 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | trans | -114.5 | 9.7 | 173.5 | -79.8 | -175.6 | 179.4 | 171.7 | 0 | 118 | S1613 S1617 | S1613-K1615 PolarHBondContact O-N 2.95Å; K1615-S1617 PolarHBondContact O-N 2.81Å | ||
| 1616 | S | 27.8 | Very low | 29.7 | Very low | 135 Ų | 135 | 131.1 Ų | 131.1 | 94% | 0.944 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -90.7 | 49.7 | 157.1 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1617 | S | 26.4 | Very low | 29.4 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 51% | 0.51 | 71% | 0.705 | S | S | . | * | trans | -142.4 | 158.1 | 175.6 | 74.4 | 0 | 0 | 0 | 0 | 109.4 | D1614 K1615 | D1614-S1617 PolarHBondContact O-OG 3.14Å; K1615-S1617 PolarHBondContact O-N 2.81Å | ||
| 1618 | T | 28.2 | Very low | 29.1 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 76% | 0.755 | 71% | 0.706 | S | S | * | * | trans | 72.8 | 47.6 | 176.9 | 70.9 | 0 | 0 | 0 | 0 | 118.5 | S1620 | T1618-S1620 PolarHBondContact O-N 3.09Š| ||
| 1619 | F | 25.3 | Very low | 28.6 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 75% | 0.746 | 72% | 0.72 | S | S | * | * | -84.3 | 74.3 | 121.3 | -115 | -85.9 | 0 | 0 | 0 | 109 | L1621 H1638 | F1619-L1621 PolarHBondContact O-N 2.87Å; F1619-H1638 AromaticContact CD2-CE1 3.84Å; F1619-H1638 AromaticContact CE2-CE1 3.6Å; F1619-H1638 AromaticContact CZ-CE1 3.71Å | |||
| 1620 | S | 25.9 | Very low | 28.1 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 50% | 0.497 | 71% | 0.714 | S | S | . | * | trans | -59.4 | 130.8 | 156.4 | 179.2 | 0 | 0 | 0 | 0 | 106.9 | T1618 | T1618-S1620 PolarHBondContact O-N 3.09Š| ||
| 1621 | L | 27.4 | Very low | 27.9 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 75% | 0.754 | 72% | 0.72 | S | S | * | * | -173.3 | 121.1 | 103.6 | -109.8 | 94.5 | 0 | 0 | 0 | 110.7 | F1619 N1623 | F1619-L1621 PolarHBondContact O-N 2.87Å; L1621-N1623 PolarHBondContact O-N 2.89Å | |||
| 1622 | K | 26.6 | Very low | 27.7 | Very low | 177 Ų | 177 | 134.7 Ų | 134.7 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | 15.1 | 103.6 | 136.7 | -58.1 | 172.4 | 179.7 | 178.3 | 0 | 116.2 | ||||
| 1623 | N | 26.8 | Very low | 27.5 | Very low | 164 Ų | 164 | 129.3 Ų | 129.3 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | -163.9 | 149.4 | 123.1 | -93.3 | -23.9 | 0 | 0 | 0 | 111.4 | L1621 | L1621-N1623 PolarHBondContact O-N 2.89Š| |||
| 1624 | S | 25.8 | Very low | 27.4 | Very low | 62 Ų | 62 | 131 Ų | 131 | 43% | 0.434 | 72% | 0.722 | S | S | . | * | trans | -79.9 | 143.9 | -172.4 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | T1626 | S1624-T1626 VanDerWaalsContact C-N 3.29Å; S1624-T1626 PolarHBondContact O-N 2.85Å | ||
| 1625 | P | 28.4 | Very low | 27.4 | Very low | 130 Ų | 130 | 129.3 Ų | 129.3 | 84% | 0.844 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -79.8 | 74.2 | 175.1 | 34.2 | -35.3 | 0 | 0 | 0 | 110.9 | ||
| 1626 | T | 27.6 | Very low | 27.3 | Very low | 91 Ų | 91 | 125.6 Ų | 125.6 | 56% | 0.558 | 72% | 0.722 | S | S | * | * | trans | -145.6 | 121.2 | 174.6 | 50.9 | 0 | 0 | 0 | 0 | 111.2 | S1624 | S1624-T1626 VanDerWaalsContact C-N 3.29Å; S1624-T1626 PolarHBondContact O-N 2.85Å | ||
| 1627 | L | 28.1 | Very low | 27.5 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 45% | 0.445 | 70% | 0.703 | S | S | . | * | trans | 13.8 | 107.3 | 166.6 | -67.9 | 84.8 | 0 | 0 | 0 | 117 | R1429 | R1429-L1627 HydrophobicContact CG-CD1 3.9Š| ||
| 1628 | N | 28.7 | Very low | 27.9 | Very low | 161 Ų | 161 | 126.3 Ų | 126.3 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | -172.4 | 128.3 | 140.6 | -97 | -32.6 | 0 | 0 | 0 | 113.9 | ||||
| 1629 | R | 25.5 | Very low | 28.3 | Very low | 241 Ų | 241 | 124.1 Ų | 124.1 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | trans | 44.9 | 140.4 | 140.2 | -112.4 | 172.6 | -171.2 | 166.7 | 3.6 | 122.8 | ||||
| 1630 | A | 24.6 | Very low | 28.6 | Very low | 80 Ų | 80 | 126 Ų | 126 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | trans | -50 | 157.3 | 171 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1631 | F | 29.2 | Very low | 29.3 | Very low | 211 Ų | 211 | 130.1 Ų | 130.1 | 93% | 0.925 | 73% | 0.728 | S | S | * | * | trans | 153.8 | 147.2 | 139.3 | -86.6 | -70.2 | 0 | 0 | 0 | 111.3 | ||||
| 1632 | S | 26 | Very low | 29.7 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | trans | -86.1 | -170.8 | -172.6 | -163.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1633 | P | 30.8 | Very low | 30.8 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 67% | 0.669 | 73% | 0.732 | S | S | * | * | -113.5 | 166.9 | -71.2 | 34.8 | -22.9 | 0 | 0 | 0 | 112.6 | |||||
| 1634 | S | 27 | Very low | 32.1 | Very low | 116 Ų | 116 | 124 Ų | 124 | 81% | 0.811 | 72% | 0.715 | S | S | * | * | trans | -159.8 | 63.1 | 168.8 | -78.7 | 0 | 0 | 0 | 0 | 114.5 | S1636 | S1634-S1636 PolarHBondContact O-N 2.9Š| ||
| 1635 | A | 28.4 | Very low | 33.7 | Very low | 77 Ų | 77 | 125.3 Ų | 125.3 | 64% | 0.636 | 74% | 0.739 | S | S | * | * | trans | -84.5 | 85.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1636 | S | 29 | Very low | 35.4 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 71% | 0.714 | S | S | * | * | trans | -148.6 | 11.1 | 178.4 | 70.6 | 0 | 0 | 0 | 0 | 116.5 | S1634 | S1634-S1636 PolarHBondContact O-N 2.9Š| ||
| 1637 | A | 31.1 | Very low | 37.7 | Very low | 66 Ų | 66 | 121.6 Ų | 121.6 | 55% | 0.545 | 71% | 0.707 | S | S | . | * | trans | -126 | 14 | -159.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1638 | H | 36.2 | Very low | 40.3 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 73% | 0.731 | 70% | 0.698 | S | S | * | * | trans | -136.1 | 67 | 175.1 | -73 | -60.6 | 0 | 0 | 0 | 114.6 | F1619 | F1619-H1638 AromaticContact CD2-CE1 3.84Å; F1619-H1638 AromaticContact CE2-CE1 3.6Å; F1619-H1638 AromaticContact CZ-CE1 3.71Å | ||
| 1639 | S | 35.3 | Very low | 43 | Very low | 77 Ų | 77 | 113 Ų | 113 | 54% | 0.538 | 66% | 0.662 | S | S | . | * | trans | -148.6 | 86.6 | 151.1 | 71.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1640 | K | 32.7 | Very low | 46 | Very low | 208 Ų | 208 | 101.5 Ų | 101.5 | 90% | 0.904 | 62% | 0.618 | S | S | * | * | trans | -119 | 54.5 | -179.5 | -142.2 | -174 | -170.6 | -173.6 | 0 | 110.9 | ||||
| 1641 | D | 39.7 | Very low | 48.9 | Very low | 158 Ų | 158 | 98.5 Ų | 98.5 | 85% | 0.845 | 59% | 0.591 | S | S | * | * | trans | -89.8 | 102.1 | 160.2 | -92.3 | -29.9 | 0 | 0 | 0 | 109.2 | D1643 | D1641-D1643 PolarHBondContact O-N 3.46Š| ||
| 1642 | S | 36 | Very low | 51.3 | Low | 104 Ų | 104 | 88.8 Ų | 88.8 | 73% | 0.727 | 55% | 0.549 | S | S | * | . | trans | -75.7 | 104.6 | 167 | 49.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1643 | D | 50 | Low | 53.7 | Low | 166 Ų | 166 | 85.6 Ų | 85.6 | 89% | 0.888 | 52% | 0.521 | S | S | * | . | S | Bend | trans | 179.8 | -15.4 | 142.8 | -94.7 | -14.1 | 0 | 0 | 0 | 113.4 | D1641 | D1641-D1643 PolarHBondContact O-N 3.46Š|
| 1644 | T | 54.8 | Low | 55.4 | Low | 86 Ų | 86 | 82.8 Ų | 82.8 | 53% | 0.528 | 50% | 0.503 | S | S | . | . | S | Bend | trans | -127.5 | 125.4 | 165.3 | 74.6 | 0 | 0 | 0 | 0 | 110.1 | K1578 C1646 | K1578-T1644 PolarHBondContact NZ-OG1 3.17Å; K1578-T1644 VanDerWaalsContact NZ-OG1 3.11Å; T1644-C1646 PolarHBondContact O-N 2.74Å |
| 1645 | G | 57.8 | Low | 57.2 | Low | 91 Ų | 91 | 83.3 Ų | 83.3 | 94% | 0.938 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -71.4 | 30.4 | -170.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 1646 | C | 65 | Low | 58.7 | Low | 46 Ų | 46 | 83.9 Ų | 83.9 | 31% | 0.311 | 49% | 0.485 | S | S | . | . | trans | -111.1 | 134.1 | 175.6 | -65.2 | 0 | 0 | 0 | 0 | 110.2 | G1576 K1578 T1644 | G1576-C1646 VanDerWaalsContact O-CA 3.27Å; G1576-C1646 WeakPolarHBondContact O-CA 3.44Å; K1578-C1646 HydrophobicContact CD-CB 4.03Å; K1578-C1646 HydrophobicContact CG-CB 3.88Å; T1644-C1646 PolarHBondContact O-N 2.74Å | ||
| 1647 | K | 76.4 | Confident | 59.7 | Low | 96 Ų | 96 | 84.1 Ų | 84.1 | 42% | 0.417 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 163.1 | 168.9 | -64.3 | 176.7 | -178.4 | 177 | 0 | 110.1 | G1576 W1577 K1578 | G1576-K1647 PolarHBondContact O-N 3.34Å; W1577-K1647 CarbonylContact C-O 3.59Å; W1577-K1647 WeakPolarHBondContact CA-O 2.96Å; W1577-K1647 HydrophobicContact CD2-CB 3.7Å; W1577-K1647 HydrophobicContact CD2-CD 4.43Å; W1577-K1647 HydrophobicContact CE3-CB 3.35Å; W1577-K1647 HydrophobicContact CE3-CD 4.41Å; W1577-K1647 HydrophobicContact CG-CB 4.45Å; W1577-K1647 HydrophobicContact CH2-CB 3.87Å; W1577-K1647 HydrophobicContact CH2-CD 3.45Å; W1577-K1647 VanDerWaalsContact CH2-CD 3.45Å; W1577-K1647 HydrophobicContact CH2-CG 4.32Å; W1577-K1647 HydrophobicContact CZ2-CB 4.17Å; W1577-K1647 HydrophobicContact CZ2-CD 3.44Å; W1577-K1647 VanDerWaalsContact CZ2-CD 3.44Å; W1577-K1647 HydrophobicContact CZ2-CG 4.47Å; W1577-K1647 HydrophobicContact CZ3-CB 3.44Å; W1577-K1647 VanDerWaalsContact CZ3-CB 3.44Å; W1577-K1647 HydrophobicContact CZ3-CD 3.96Å; W1577-K1647 HydrophobicContact CZ3-CG 4.36Å; K1578-K1647 PolarHBondContact N-O 2.66Å |
| 1648 | V | 81.4 | Confident | 60.3 | Low | 42 Ų | 42 | 88.7 Ų | 88.7 | 26% | 0.255 | 48% | 0.483 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142 | -179.1 | -173.6 | 0 | 0 | 0 | 0 | 109.9 | L1477 M1567 K1578 I1580 | L1477-V1648 HydrophobicContact CD1-CG1 4.28Å; L1477-V1648 WeakPolarHBondContact CD1-O 2.97Å; M1567-V1648 HydrophobicContact SD-CG1 4.5Å; M1567-V1648 HydrophobicContact SD-CG2 4.17Å; K1578-V1648 WeakPolarHBondContact O-CA 3.48Å; I1580-V1648 HydrophobicContact CD1-CG1 3.83Å; I1580-V1648 HydrophobicContact CG1-CG1 3.38Å |
| 1649 | Y | 86.7 | Confident | 60.5 | Low | 24 Ų | 24 | 88.6 Ų | 88.6 | 9% | 0.094 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.7 | 172.9 | 77.3 | -72.9 | 0 | 0 | 0 | 110.9 | D1574 W1577 K1578 K1579 I1580 K1653 | D1574-Y1649 PolarHBondContact OD2-OH 3.5Å; W1577-Y1649 HydrophobicContact CB-CD1 3.79Å; W1577-Y1649 HydrophobicContact CB-CE1 3.96Å; W1577-Y1649 HydrophobicContact CE3-CD1 4.32Å; W1577-Y1649 HydrophobicContact CG-CD1 4.49Å; K1578-Y1649 WeakPolarHBondContact O-CD1 3.33Å; K1578-Y1649 PolarHBondContact O-N 2.04Å; K1579-Y1649 CarbonylContact C-O 3.56Å; K1579-Y1649 WeakPolarHBondContact CA-O 3.01Å; K1579-Y1649 HydrophobicContact CB-CD1 4.33Å; K1579-Y1649 HydrophobicContact CB-CE1 3.65Å; K1579-Y1649 HydrophobicContact CB-CE2 4.34Å; K1579-Y1649 HydrophobicContact CD-CE2 4.17Å; K1579-Y1649 HydrophobicContact CG-CD2 4.49Å; K1579-Y1649 HydrophobicContact CG-CE1 4.17Å; K1579-Y1649 HydrophobicContact CG-CE2 3.96Å; I1580-Y1649 PolarHBondContact N-O 3.22Å; Y1649-K1653 HydrophobicContact CD1-CG 4.33Å; Y1649-K1653 HydrophobicContact CD2-CG 3.58Å; Y1649-K1653 HydrophobicContact CE1-CG 4.46Å; Y1649-K1653 HydrophobicContact CE2-CD 4.4Å; Y1649-K1653 HydrophobicContact CE2-CG 3.73Å; Y1649-K1653 HydrophobicContact CG-CG 3.89Å; Y1649-K1653 VanDerWaalsContact CZ-CE 3.44Å |
| 1650 | H | 87.5 | Confident | 60.5 | Low | 0 Ų | 0 | 92.8 Ų | 92.8 | 0% | 0 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -98.2 | -76.2 | 173.5 | -178 | -148.5 | 0 | 0 | 0 | 111.5 | Q1474 A1476 C1521 T1523 Q1526 K1579 I1580 T1582 | Q1474-H1650 PolarHBondContact O-CE1 3.06Å; Q1474-H1650 PolarHBondContact O-ND1 2.99Å; A1476-H1650 HydrophobicContact CB-CB 4.19Å; A1476-H1650 PolarHBondContact N-ND1 3.02Å; C1521-H1650 PolarHBondContact O-CE1 3.16Å; C1521-H1650 PolarHBondContact O-NE2 3.07Å; T1523-H1650 HydrophobicContact CG2-CB 4.41Å; T1523-H1650 WeakPolarHBondContact CG2-CD2 3.15Å; T1523-H1650 VanDerWaalsContact CG2-CE1 3.45Å; T1523-H1650 WeakPolarHBondContact CG2-CE1 3.49Å; T1523-H1650 WeakPolarHBondContact CG2-NE2 3.48Å; Q1526-H1650 PolarHBondContact OE1-CE1 2.99Å; Q1526-H1650 PolarHBondContact OE1-ND1 2.96Å; K1579-H1650 WeakPolarHBondContact CE-O 3.28Å; I1580-H1650 HydrophobicContact CD1-CB 4.31Å; T1582-H1650 VanDerWaalsContact CG2-NE2 3.31Å; T1582-H1650 WeakPolarHBondContact CG2-NE2 3.46Å |
| 1651 | L | 86.1 | Confident | 60.4 | Low | 17 Ų | 17 | 87 Ų | 87 | 9% | 0.089 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -108.8 | -44.6 | -173.2 | -74.1 | -169.6 | 0 | 0 | 0 | 111.6 | P1473 Q1474 D1475 I1491 I1495 C1521 | P1473-L1651 HydrophobicContact CB-CD1 3.48Å; P1473-L1651 VanDerWaalsContact CB-CD1 3.48Å; Q1474-L1651 VanDerWaalsContact C-CD1 3.46Å; Q1474-L1651 WeakPolarHBondContact O-CD1 3.37Å; D1475-L1651 HydrophobicContact CB-CB 4.15Å; D1475-L1651 WeakPolarHBondContact OD2-CA 3.25Å; D1475-L1651 WeakPolarHBondContact OD2-CB 3.38Å; D1475-L1651 PolarHBondContact OD2-N 3.34Å; I1491-L1651 HydrophobicContact CD1-CD1 3.79Å; I1495-L1651 HydrophobicContact CD1-CB 3.61Å; I1495-L1651 HydrophobicContact CD1-CD1 3.89Å; I1495-L1651 HydrophobicContact CD1-CD2 4.26Å; I1495-L1651 HydrophobicContact CD1-CG 4.12Å; I1495-L1651 HydrophobicContact CG2-CD2 4.29Å; C1521-L1651 HydrophobicContact CB-CD2 4.23Å |
| 1652 | V | 79.9 | Confident | 59.9 | Low | 7 Ų | 7 | 83.3 Ų | 83.3 | 4% | 0.042 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -114.4 | 127.8 | -176.1 | 179.9 | 0 | 0 | 0 | 0 | 109.4 | D1475 L1478 I1491 I1495 Q1657 | D1475-V1652 PolarHBondContact OD2-N 3.02Å; L1478-V1652 HydrophobicContact CD1-CB 4.04Å; L1478-V1652 HydrophobicContact CD1-CG1 4.29Å; I1491-V1652 HydrophobicContact CG1-CG2 4.43Å; I1491-V1652 HydrophobicContact CG2-CG2 3.88Å; I1495-V1652 HydrophobicContact CD1-CG2 4.48Å; V1652-Q1657 HydrophobicContact CG1-CG 4.5Å |
| 1653 | K | 77 | Confident | 59.7 | Low | 43 Ų | 43 | 87.6 Ų | 87.6 | 19% | 0.187 | 50% | 0.502 | C | S | . | . | trans | -75.3 | 128.3 | 168.7 | -70 | -179.7 | -178.9 | 175.4 | 0 | 108.9 | D1574 Y1649 H1655 D1656 | D1574-K1653 VanDerWaalsContact CG-NZ 3.3Å; D1574-K1653 IonicContact OD1-NZ 3.39Å; D1574-K1653 PolarHBondContact OD1-NZ 2.96Å; D1574-K1653 VanDerWaalsContact OD2-CE 3.28Å; D1574-K1653 WeakPolarHBondContact OD2-CE 3.44Å; D1574-K1653 IonicContact OD2-NZ 2.68Å; D1574-K1653 PolarHBondContact OD2-NZ 3.1Å; Y1649-K1653 HydrophobicContact CD1-CG 4.33Å; Y1649-K1653 HydrophobicContact CD2-CG 3.58Å; Y1649-K1653 HydrophobicContact CE1-CG 4.46Å; Y1649-K1653 HydrophobicContact CE2-CD 4.4Å; Y1649-K1653 HydrophobicContact CE2-CG 3.73Å; Y1649-K1653 HydrophobicContact CG-CG 3.89Å; Y1649-K1653 VanDerWaalsContact CZ-CE 3.44Å; K1653-H1655 PolarHBondContact O-N 2.97Å; K1653-D1656 WeakPolarHBondContact CB-OD2 3.18Å; K1653-D1656 PolarHBondContact O-N 2.87Å; K1653-D1656 VanDerWaalsContact O-N 3.11Å | ||
| 1654 | P | 65.7 | Low | 58.9 | Low | 44 Ų | 44 | 90 Ų | 90 | 29% | 0.286 | 50% | 0.499 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -7 | -179 | -28.2 | 35.6 | 0 | 0 | 0 | 117 | W1577 | W1577-P1654 HydrophobicContact CH2-CB 4.39Å; W1577-P1654 HydrophobicContact CH2-CG 3.89Å; W1577-P1654 HydrophobicContact CZ3-CG 4.11Å |
| 1655 | H | 65.1 | Low | 57.8 | Low | 127 Ų | 127 | 88.5 Ų | 88.5 | 59% | 0.588 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | -13.5 | 178.7 | -67.7 | -45.2 | 0 | 0 | 0 | 114.4 | W1577 K1653 Q1657 | W1577-H1655 AromaticContact CZ2-CD2 3.63Å; W1577-H1655 AromaticContact CZ2-NE2 3.85Å; K1653-H1655 PolarHBondContact O-N 2.97Å; H1655-Q1657 VanDerWaalsContact C-N 3.31Å; H1655-Q1657 PolarHBondContact O-N 2.68Å |
| 1656 | D | 59.8 | Low | 56.6 | Low | 89 Ų | 89 | 86.5 Ų | 86.5 | 48% | 0.476 | 48% | 0.48 | S | S | . | . | trans | -92.5 | 25.2 | -172 | -63.2 | -17.4 | 0 | 0 | 0 | 113.2 | Q1493 K1653 | Q1493-D1656 PolarHBondContact NE2-O 2.88Å; Q1493-D1656 VanDerWaalsContact NE2-O 3.11Å; K1653-D1656 WeakPolarHBondContact CB-OD2 3.18Å; K1653-D1656 PolarHBondContact O-N 2.87Å; K1653-D1656 VanDerWaalsContact O-N 3.11Å | ||
| 1657 | Q | 48.9 | Very low | 55.4 | Low | 117 Ų | 117 | 85.8 Ų | 85.8 | 55% | 0.547 | 48% | 0.48 | S | S | . | . | trans | -95.9 | 14.2 | -173.9 | -74.4 | -169.8 | -15.3 | 0 | 0 | 115.1 | V1652 H1655 | V1652-Q1657 HydrophobicContact CG1-CG 4.5Å; H1655-Q1657 VanDerWaalsContact C-N 3.31Å; H1655-Q1657 PolarHBondContact O-N 2.68Å | ||
| 1658 | H | 45 | Very low | 53.9 | Low | 163 Ų | 163 | 84.7 Ų | 84.7 | 76% | 0.755 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -127.6 | 144.8 | 176 | -82.8 | -93.6 | 0 | 0 | 0 | 112.6 | ||
| 1659 | D | 38.8 | Very low | 52.4 | Low | 155 Ų | 155 | 84.3 Ų | 84.3 | 83% | 0.829 | 47% | 0.471 | S | S | * | . | trans | 69.4 | 45 | 162.5 | -61.4 | -15.6 | 0 | 0 | 0 | 121.4 | ||||
| 1660 | I | 36.3 | Very low | 50.6 | Low | 165 Ų | 165 | 84.6 Ų | 84.6 | 85% | 0.846 | 48% | 0.482 | S | S | * | . | trans | -127.2 | 109.8 | 155 | -55.9 | -179.4 | 0 | 0 | 0 | 111.1 | ||||
| 1661 | G | 30.1 | Very low | 49.1 | Very low | 87 Ų | 87 | 85.1 Ų | 85.1 | 90% | 0.897 | 49% | 0.485 | S | S | * | . | trans | -99.7 | 97.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1662 | A | 29.3 | Very low | 48.3 | Very low | 81 Ų | 81 | 84.5 Ų | 84.5 | 67% | 0.669 | 48% | 0.482 | S | S | * | . | trans | -155.5 | 142.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1663 | E | 32 | Very low | 48.1 | Very low | 193 Ų | 193 | 87.3 Ų | 87.3 | 90% | 0.902 | 50% | 0.495 | S | S | * | . | trans | 54.5 | 107.4 | 162.9 | -56.6 | -166 | 149.4 | 0 | 0 | 119.6 | G1665 | E1663-G1665 PolarHBondContact O-N 2.89Š| ||
| 1664 | R | 33.7 | Very low | 48 | Very low | 216 Ų | 216 | 90.7 Ų | 90.7 | 82% | 0.815 | 51% | 0.509 | S | S | * | . | trans | -70 | 82.7 | 173.3 | -70.9 | 173.8 | 169.2 | 165 | -6.6 | 112.1 | G1666 | R1664-G1666 PolarHBondContact O-N 3.37Š| ||
| 1665 | G | 31.9 | Very low | 48.9 | Very low | 56 Ų | 56 | 89.4 Ų | 89.4 | 58% | 0.577 | 50% | 0.499 | S | S | * | . | trans | -83.8 | 76.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1663 G1667 | E1663-G1665 PolarHBondContact O-N 2.89Å; G1665-G1667 PolarHBondContact O-N 3Å; G1665-G1667 VanDerWaalsContact O-N 3.08Å | ||
| 1666 | G | 32.6 | Very low | 50 | Low | 48 Ų | 48 | 83.3 Ų | 83.3 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | trans | -71.7 | 93.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1664 K1668 | R1664-G1666 PolarHBondContact O-N 3.37Å; G1666-K1668 PolarHBondContact O-N 2.89Å | ||
| 1667 | G | 39.9 | Very low | 51.3 | Low | 31 Ų | 31 | 80.2 Ų | 80.2 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | trans | -77.2 | 108.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116 | G1665 | G1665-G1667 PolarHBondContact O-N 3Å; G1665-G1667 VanDerWaalsContact O-N 3.08Å | ||
| 1668 | K | 43.4 | Very low | 53 | Low | 74 Ų | 74 | 76.6 Ų | 76.6 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | trans | 35.7 | 85.7 | 142.4 | -59.5 | -173.2 | 172.3 | -163 | 0 | 117.5 | A1293 E1296 Q1468 Y1483 G1666 | A1293-K1668 HydrophobicContact CB-CB 4.43Å; A1293-K1668 HydrophobicContact CB-CD 3.83Å; A1293-K1668 HydrophobicContact CB-CG 4.05Å; E1296-K1668 IonicContact OE2-NZ 3Å; Q1468-K1668 PolarHBondContact NE2-O 2.77Å; Y1483-K1668 HydrophobicContact CE1-CB 4.34Å; Y1483-K1668 HydrophobicContact CE1-CD 4.42Å; G1666-K1668 PolarHBondContact O-N 2.89Å | ||
| 1669 | M | 50.7 | Low | 55.2 | Low | 33 Ų | 33 | 68.9 Ų | 68.9 | 16% | 0.163 | 40% | 0.403 | C | S | . | . | trans | -140 | 3 | 178.1 | -96.8 | 164.2 | -140 | 0 | 0 | 118.5 | Y1483 S1484 L1485 L1490 T1671 | Y1483-M1669 VanDerWaalsContact C-CE 3.41Å; S1484-M1669 VanDerWaalsContact C-CE 3.45Å; S1484-M1669 WeakPolarHBondContact O-CE 3.2Å; L1485-M1669 HydrophobicContact CD2-CB 4.11Å; L1485-M1669 HydrophobicContact CD2-CG 3.78Å; L1485-M1669 HydrophobicContact CD2-SD 3.98Å; L1490-M1669 HydrophobicContact CD1-CE 3.85Å; M1669-T1671 PolarHBondContact O-N 2.86Å; M1669-T1671 VanDerWaalsContact O-N 3.08Å | ||
| 1670 | G | 48.1 | Very low | 57.8 | Low | 31 Ų | 31 | 61.5 Ų | 61.5 | 32% | 0.32 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -67.6 | -5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | F1294 | F1294-G1670 WeakPolarHBondContact CE2-O 3.16Š|
| 1671 | T | 57.3 | Low | 60.3 | Low | 10 Ų | 10 | 57.9 Ų | 57.9 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -83.2 | -13.6 | -167.8 | 38.7 | 0 | 0 | 0 | 0 | 115.9 | F1294 L1297 Q1468 M1669 | F1294-T1671 HydrophobicContact CB-CG2 3.84Å; F1294-T1671 HydrophobicContact CD2-CG2 3.48Å; F1294-T1671 VanDerWaalsContact CD2-CG2 3.48Å; F1294-T1671 HydrophobicContact CE2-CG2 4.36Å; F1294-T1671 HydrophobicContact CG-CG2 3.92Å; L1297-T1671 HydrophobicContact CB-CG2 3.56Å; L1297-T1671 HydrophobicContact CD1-CG2 3.68Å; L1297-T1671 HydrophobicContact CG-CG2 4.13Å; Q1468-T1671 PolarHBondContact OE1-OG1 2.03Å; M1669-T1671 PolarHBondContact O-N 2.86Å; M1669-T1671 VanDerWaalsContact O-N 3.08Å |
| 1672 | L | 70 | Confident | 63 | Low | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.021 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -93.6 | -10 | -178.7 | -69.7 | 167.3 | 0 | 0 | 0 | 113.7 | A1464 I1465 Q1468 L1485 K1674 F1675 V1676 | A1464-L1672 HydrophobicContact CB-CD2 3.75Å; I1465-L1672 HydrophobicContact CG1-CD1 3.97Å; I1465-L1672 HydrophobicContact CG1-CD2 3.9Å; Q1468-L1672 HydrophobicContact CB-CD1 4.22Å; Q1468-L1672 HydrophobicContact CB-CD2 4.42Å; Q1468-L1672 HydrophobicContact CG-CD1 4.06Å; Q1468-L1672 HydrophobicContact CG-CG 4.48Å; L1485-L1672 HydrophobicContact CD1-CB 4.48Å; L1485-L1672 HydrophobicContact CD1-CD1 3.6Å; L1485-L1672 HydrophobicContact CD2-CD1 4.16Å; L1485-L1672 HydrophobicContact CG-CD1 3.83Å; L1672-K1674 PolarHBondContact O-N 2.93Å; L1672-F1675 PolarHBondContact O-N 2.8Å; L1672-V1676 PolarHBondContact O-N 3.04Å |
| 1673 | Q | 74.1 | Confident | 66 | Low | 67 Ų | 67 | 50 Ų | 50 | 31% | 0.313 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.3 | -47 | -175.1 | 176 | 166.3 | -0.4 | 0 | 0 | 112.8 | F1675 V1676 E1677 | Q1673-F1675 VanDerWaalsContact C-N 3.28Å; Q1673-F1675 PolarHBondContact O-N 3.19Å; Q1673-V1676 WeakPolarHBondContact O-CB 3.26Å; Q1673-V1676 PolarHBondContact O-N 2.93Å; Q1673-E1677 HydrophobicContact CG-CG 4.42Å; Q1673-E1677 WeakPolarHBondContact CG-OE1 3.46Å; Q1673-E1677 PolarHBondContact NE2-OE1 2.92Å; Q1673-E1677 PolarHBondContact O-N 3.38Å |
| 1674 | K | 76.2 | Confident | 68.7 | Low | 113 Ų | 113 | 41.4 Ų | 41.4 | 49% | 0.491 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.7 | -38.6 | 177.7 | -177 | 177.3 | 176.8 | -176.4 | 0 | 112.8 | L1672 V1676 E1677 D1678 | L1672-K1674 PolarHBondContact O-N 2.93Å; K1674-V1676 VanDerWaalsContact C-N 3.31Å; K1674-V1676 PolarHBondContact O-N 3.47Å; K1674-E1677 PolarHBondContact O-N 3.43Å; K1674-D1678 WeakPolarHBondContact CE-OD1 3.41Å; K1674-D1678 WeakPolarHBondContact CE-OD2 3.35Å; K1674-D1678 WeakPolarHBondContact O-CB 3.43Å; K1674-D1678 VanDerWaalsContact O-CG 3.23Å; K1674-D1678 PolarHBondContact O-N 3.21Å |
| 1675 | F | 84.2 | Confident | 71.2 | Confident | 17 Ų | 17 | 32.2 Ų | 32.2 | 8% | 0.075 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.2 | -26.9 | 179 | -67.4 | -77.8 | 0 | 0 | 0 | 113 | I1301 M1460 L1461 A1464 L1672 Q1673 L1679 | I1301-F1675 HydrophobicContact CD1-CE2 4.23Å; I1301-F1675 HydrophobicContact CG2-CE2 3.78Å; I1301-F1675 HydrophobicContact CG2-CZ 3.39Å; M1460-F1675 HydrophobicContact CB-CD1 3.87Å; M1460-F1675 HydrophobicContact CB-CE1 3.95Å; M1460-F1675 HydrophobicContact CE-CE1 4.15Å; L1461-F1675 HydrophobicContact CB-CB 4.18Å; L1461-F1675 HydrophobicContact CD1-CB 3.6Å; A1464-F1675 HydrophobicContact CB-CD1 4.1Å; A1464-F1675 HydrophobicContact CB-CD2 3.61Å; A1464-F1675 HydrophobicContact CB-CE1 4.29Å; A1464-F1675 HydrophobicContact CB-CE2 3.83Å; A1464-F1675 HydrophobicContact CB-CG 3.77Å; A1464-F1675 HydrophobicContact CB-CZ 4.18Å; L1672-F1675 PolarHBondContact O-N 2.8Å; Q1673-F1675 VanDerWaalsContact C-N 3.28Å; Q1673-F1675 PolarHBondContact O-N 3.19Å; F1675-L1679 WeakPolarHBondContact O-CB 3.02Å; F1675-L1679 PolarHBondContact O-N 3.26Å |
| 1676 | V | 87.3 | Confident | 73.6 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72.7 | -43.6 | 171 | 177 | 0 | 0 | 0 | 0 | 110 | L1461 L1672 Q1673 K1674 L1679 F1680 V1758 F1784 | L1461-V1676 HydrophobicContact CD1-CG2 3.96Å; L1672-V1676 PolarHBondContact O-N 3.04Å; Q1673-V1676 WeakPolarHBondContact O-CB 3.26Å; Q1673-V1676 PolarHBondContact O-N 2.93Å; K1674-V1676 VanDerWaalsContact C-N 3.31Å; K1674-V1676 PolarHBondContact O-N 3.47Å; V1676-L1679 PolarHBondContact O-N 2.97Å; V1676-F1680 HydrophobicContact CG1-CD1 4.13Å; V1676-F1680 HydrophobicContact CG1-CD2 4.35Å; V1676-F1680 HydrophobicContact CG1-CE1 3.87Å; V1676-F1680 HydrophobicContact CG1-CE2 4.12Å; V1676-F1680 HydrophobicContact CG1-CG 4.36Å; V1676-F1680 HydrophobicContact CG1-CZ 3.85Å; V1676-F1680 WeakPolarHBondContact O-CB 3.08Å; V1676-F1680 WeakPolarHBondContact O-CD1 3.09Å; V1676-F1680 WeakPolarHBondContact O-CG 3.03Å; V1676-F1680 PolarHBondContact O-N 2.73Å; V1676-V1758 HydrophobicContact CG1-CG1 4.05Å; V1676-V1758 HydrophobicContact CG2-CB 4.5Å; V1676-V1758 HydrophobicContact CG2-CG1 3.93Å; V1676-V1758 HydrophobicContact CG2-CG2 3.75Å; V1676-F1784 HydrophobicContact CG1-CE1 4.42Å; V1676-F1784 HydrophobicContact CG2-CE1 4.39Å; V1676-F1784 HydrophobicContact CG2-CZ 4.2Å |
| 1677 | E | 87.3 | Confident | 75.7 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.5 | -50.9 | 176.4 | -74.5 | 175.8 | -153.5 | 0 | 0 | 112.4 | Q70 Q1673 K1674 L1679 F1680 E1681 Y1791 W1794 | Q70-E1677 PolarHBondContact NE2-OE2 3.49Å; Q70-E1677 PolarHBondContact OE1-OE1 2.02Å; Q70-E1677 PolarHBondContact OE1-OE2 3Å; Q1673-E1677 HydrophobicContact CG-CG 4.42Å; Q1673-E1677 WeakPolarHBondContact CG-OE1 3.46Å; Q1673-E1677 PolarHBondContact NE2-OE1 2.92Å; Q1673-E1677 PolarHBondContact O-N 3.38Å; K1674-E1677 PolarHBondContact O-N 3.43Å; E1677-L1679 PolarHBondContact O-N 2.95Å; E1677-L1679 VanDerWaalsContact O-N 3.14Å; E1677-F1680 PolarHBondContact O-N 3.06Å; E1677-E1681 WeakPolarHBondContact O-CB 3.41Å; E1677-E1681 PolarHBondContact O-N 2.95Å; E1677-Y1791 HydrophobicContact CG-CE1 3.96Å; E1677-W1794 HydrophobicContact CB-CH2 4.45Å |
| 1678 | D | 85.7 | Confident | 77 | Confident | 42 Ų | 42 | 33 Ų | 33 | 23% | 0.225 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.1 | -33.5 | 176.3 | -73.5 | -1 | 0 | 0 | 0 | 111.4 | K1674 A1682 | K1674-D1678 WeakPolarHBondContact CE-OD1 3.41Å; K1674-D1678 WeakPolarHBondContact CE-OD2 3.35Å; K1674-D1678 WeakPolarHBondContact O-CB 3.43Å; K1674-D1678 VanDerWaalsContact O-CG 3.23Å; K1674-D1678 PolarHBondContact O-N 3.21Å; D1678-A1682 WeakPolarHBondContact O-CB 3.19Å; D1678-A1682 PolarHBondContact O-N 3.41Å |
| 1679 | L | 90.6 | Very high | 78 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -80.6 | -40.7 | 175.4 | 179 | 60.8 | 0 | 0 | 0 | 112.7 | P1457 L1458 L1461 F1675 V1676 E1677 E1681 A1682 I1683 I1736 | P1457-L1679 HydrophobicContact CB-CB 4.14Å; P1457-L1679 HydrophobicContact CB-CD1 4.09Å; L1458-L1679 HydrophobicContact CB-CD1 4.01Å; L1458-L1679 HydrophobicContact CD1-CD2 3.92Å; L1461-L1679 HydrophobicContact CD2-CD2 3.46Å; L1461-L1679 VanDerWaalsContact CD2-CD2 3.46Å; F1675-L1679 WeakPolarHBondContact O-CB 3.02Å; F1675-L1679 PolarHBondContact O-N 3.26Å; V1676-L1679 PolarHBondContact O-N 2.97Å; E1677-L1679 PolarHBondContact O-N 2.95Å; E1677-L1679 VanDerWaalsContact O-N 3.14Å; L1679-E1681 VanDerWaalsContact C-N 3.34Å; L1679-A1682 PolarHBondContact O-N 3.21Å; L1679-I1683 HydrophobicContact CD1-CD1 3.94Å; L1679-I1683 HydrophobicContact CD1-CG1 4.29Å; L1679-I1683 HydrophobicContact CG-CD1 3.88Å; L1679-I1683 WeakPolarHBondContact O-CB 3.28Å; L1679-I1683 VanDerWaalsContact O-CG1 3.23Å; L1679-I1683 WeakPolarHBondContact O-CG1 3.09Å; L1679-I1683 PolarHBondContact O-N 2.84Å; L1679-I1736 HydrophobicContact CD2-CD1 4.01Å; L1679-I1736 HydrophobicContact CD2-CG1 3.97Å |
| 1680 | F | 92.6 | Very high | 78.4 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.9 | -33.5 | 178.6 | -79.5 | 22.8 | 0 | 0 | 0 | 111.1 | V1676 E1677 I1683 F1684 V1758 T1761 L1762 Y1791 W1794 | V1676-F1680 HydrophobicContact CG1-CD1 4.13Å; V1676-F1680 HydrophobicContact CG1-CD2 4.35Å; V1676-F1680 HydrophobicContact CG1-CE1 3.87Å; V1676-F1680 HydrophobicContact CG1-CE2 4.12Å; V1676-F1680 HydrophobicContact CG1-CG 4.36Å; V1676-F1680 HydrophobicContact CG1-CZ 3.85Å; V1676-F1680 WeakPolarHBondContact O-CB 3.08Å; V1676-F1680 WeakPolarHBondContact O-CD1 3.09Å; V1676-F1680 WeakPolarHBondContact O-CG 3.03Å; V1676-F1680 PolarHBondContact O-N 2.73Å; E1677-F1680 PolarHBondContact O-N 3.06Å; F1680-I1683 PolarHBondContact O-N 3.21Å; F1680-F1684 HydrophobicContact CB-CD2 4.4Å; F1680-F1684 WeakPolarHBondContact O-CB 3.38Å; F1680-F1684 WeakPolarHBondContact O-CD2 3.33Å; F1680-F1684 PolarHBondContact O-N 3.18Å; F1680-V1758 HydrophobicContact CE1-CG1 4.01Å; F1680-V1758 HydrophobicContact CZ-CG1 4.38Å; F1680-T1761 HydrophobicContact CE2-CG2 4.09Å; F1680-T1761 HydrophobicContact CZ-CG2 4.27Å; F1680-L1762 HydrophobicContact CD1-CD1 4.29Å; F1680-L1762 HydrophobicContact CE1-CB 3.98Å; F1680-L1762 HydrophobicContact CE1-CD1 4.01Å; F1680-L1762 HydrophobicContact CE1-CG 4.49Å; F1680-L1762 HydrophobicContact CE2-CB 4.44Å; F1680-L1762 HydrophobicContact CE2-CD1 4.32Å; F1680-L1762 HydrophobicContact CZ-CB 3.66Å; F1680-L1762 HydrophobicContact CZ-CD1 4.04Å; F1680-L1762 HydrophobicContact CZ-CG 4.46Å; F1680-Y1791 AromaticContact CD2-CD1 3.95Å; F1680-Y1791 HydrophobicContact CD2-CD1 3.95Å; F1680-Y1791 HydrophobicContact CD2-CD2 4.01Å; F1680-Y1791 HydrophobicContact CD2-CE1 4.23Å; F1680-Y1791 HydrophobicContact CD2-CE2 4.29Å; F1680-Y1791 AromaticContact CD2-CG 3.85Å; F1680-Y1791 HydrophobicContact CD2-CG 3.85Å; F1680-Y1791 AromaticContact CE2-CD2 3.84Å; F1680-Y1791 HydrophobicContact CE2-CD2 3.84Å; F1680-Y1791 HydrophobicContact CE2-CE2 4.12Å; F1680-Y1791 HydrophobicContact CE2-CG 4.11Å; F1680-W1794 HydrophobicContact CB-CE3 4.18Å; F1680-W1794 HydrophobicContact CB-CZ3 4.01Å |
| 1681 | E | 89.2 | Confident | 79.4 | Confident | 89 Ų | 89 | 37.6 Ų | 37.6 | 42% | 0.416 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 172 | -171.9 | -179.2 | 162 | 0 | 0 | 109.9 | E1677 L1679 I1683 F1684 S1685 W1794 | E1677-E1681 WeakPolarHBondContact O-CB 3.41Å; E1677-E1681 PolarHBondContact O-N 2.95Å; L1679-E1681 VanDerWaalsContact C-N 3.34Å; E1681-I1683 PolarHBondContact O-N 3.08Å; E1681-F1684 PolarHBondContact O-N 2.94Å; E1681-S1685 WeakPolarHBondContact O-CB 3.26Å; E1681-S1685 PolarHBondContact O-N 2.94Å; E1681-W1794 HydrophobicContact CB-CH2 4.17Å; E1681-W1794 HydrophobicContact CB-CZ3 3.82Å |
| 1682 | A | 87.6 | Confident | 80.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -23.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y1449 A1454 P1457 D1678 L1679 | Y1449-A1682 PolarHBondContact OH-O 2.98Å; A1454-A1682 HydrophobicContact CB-CB 4.45Å; P1457-A1682 HydrophobicContact CB-CB 4.31Å; P1457-A1682 HydrophobicContact CG-CB 3.89Å; D1678-A1682 WeakPolarHBondContact O-CB 3.19Å; D1678-A1682 PolarHBondContact O-N 3.41Å; L1679-A1682 PolarHBondContact O-N 3.21Å |
| 1683 | I | 91 | Very high | 80.9 | Confident | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -89 | -36.6 | 178 | -72.7 | 169 | 0 | 0 | 0 | 112.1 | L1679 F1680 E1681 W1732 I1736 | L1679-I1683 HydrophobicContact CD1-CD1 3.94Å; L1679-I1683 HydrophobicContact CD1-CG1 4.29Å; L1679-I1683 HydrophobicContact CG-CD1 3.88Å; L1679-I1683 WeakPolarHBondContact O-CB 3.28Å; L1679-I1683 VanDerWaalsContact O-CG1 3.23Å; L1679-I1683 WeakPolarHBondContact O-CG1 3.09Å; L1679-I1683 PolarHBondContact O-N 2.84Å; F1680-I1683 PolarHBondContact O-N 3.21Å; E1681-I1683 PolarHBondContact O-N 3.08Å; I1683-W1732 HydrophobicContact CD1-CB 4.14Å; I1683-W1732 HydrophobicContact CD1-CD2 3.91Å; I1683-W1732 HydrophobicContact CD1-CE3 3.91Å; I1683-W1732 HydrophobicContact CD1-CG 4.03Å; I1683-W1732 HydrophobicContact CG1-CD2 3.69Å; I1683-W1732 HydrophobicContact CG1-CE3 3.85Å; I1683-W1732 HydrophobicContact CG1-CG 4.09Å; I1683-W1732 HydrophobicContact CG1-CH2 4.43Å; I1683-W1732 HydrophobicContact CG1-CZ2 4.26Å; I1683-W1732 HydrophobicContact CG1-CZ3 4.22Å; I1683-W1732 HydrophobicContact CG2-CD2 4.29Å; I1683-W1732 HydrophobicContact CG2-CG 3.96Å; I1683-I1736 HydrophobicContact CD1-CD1 4.13Å |
| 1684 | F | 90.5 | Very high | 81.5 | Confident | 12 Ų | 12 | 38.6 Ų | 38.6 | 5% | 0.053 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -112.3 | 16.5 | -172 | -61.9 | -54.7 | 0 | 0 | 0 | 114.3 | F1680 E1681 P1728 L1762 W1794 V1795 Y1798 | F1680-F1684 HydrophobicContact CB-CD2 4.4Å; F1680-F1684 WeakPolarHBondContact O-CB 3.38Å; F1680-F1684 WeakPolarHBondContact O-CD2 3.33Å; F1680-F1684 PolarHBondContact O-N 3.18Å; E1681-F1684 PolarHBondContact O-N 2.94Å; F1684-P1728 HydrophobicContact CE1-CB 4.45Å; F1684-P1728 HydrophobicContact CE1-CG 4.07Å; F1684-L1762 HydrophobicContact CE2-CD1 3.35Å; F1684-L1762 HydrophobicContact CZ-CD1 3.37Å; F1684-W1794 HydrophobicContact CB-CB 4.47Å; F1684-V1795 HydrophobicContact CD1-CG2 4.18Å; F1684-V1795 HydrophobicContact CD2-CG2 4.18Å; F1684-V1795 HydrophobicContact CE1-CG2 3.75Å; F1684-V1795 HydrophobicContact CE2-CG2 3.73Å; F1684-V1795 HydrophobicContact CG-CG2 4.39Å; F1684-V1795 HydrophobicContact CZ-CG2 3.5Å; F1684-V1795 VanDerWaalsContact CZ-CG2 3.5Å; F1684-Y1798 HydrophobicContact CB-CD2 4.4Å; F1684-Y1798 HydrophobicContact CB-CG 4.2Å; F1684-Y1798 AromaticContact CD1-CD1 3.8Å; F1684-Y1798 HydrophobicContact CD1-CD1 3.8Å; F1684-Y1798 HydrophobicContact CD1-CE1 4.24Å; F1684-Y1798 HydrophobicContact CD1-CG 4.02Å; F1684-Y1798 WeakPolarHBondContact O-CB 3.34Å; F1684-Y1798 VanDerWaalsContact O-CD2 3.25Å; F1684-Y1798 WeakPolarHBondContact O-CD2 3.29Å |
| 1685 | S | 84.9 | Confident | 82.2 | Confident | 23 Ų | 23 | 36.7 Ų | 36.7 | 16% | 0.161 | 22% | 0.218 | C | C | . | . | trans | -103.4 | 140.3 | 169.5 | -177.8 | 0 | 0 | 0 | 0 | 111.7 | E1681 T1687 | E1681-S1685 WeakPolarHBondContact O-CB 3.26Å; E1681-S1685 PolarHBondContact O-N 2.94Å; S1685-T1687 VanDerWaalsContact C-N 3.26Å; S1685-T1687 PolarHBondContact OG-N 3.45Å; S1685-T1687 PolarHBondContact OG-O 3.36Å | ||
| 1686 | I | 83.3 | Confident | 82.6 | Confident | 39 Ų | 39 | 35.9 Ų | 35.9 | 20% | 0.2 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -74.9 | -16.8 | 167.5 | 55.6 | 159 | 0 | 0 | 0 | 112.8 | L1693 D1801 V1802 L1805 | I1686-L1693 PolarHBondContact O-N 3.14Å; I1686-D1801 HydrophobicContact CD1-CB 4.12Å; I1686-D1801 HydrophobicContact CG1-CB 4.3Å; I1686-D1801 HydrophobicContact CG2-CB 3.82Å; I1686-V1802 HydrophobicContact CG2-CG2 3.83Å; I1686-L1805 HydrophobicContact CD1-CD2 4.4Å; I1686-L1805 HydrophobicContact CG2-CD1 4.22Å |
| 1687 | T | 76.9 | Confident | 82.9 | Confident | 96 Ų | 96 | 36 Ų | 36 | 59% | 0.589 | 22% | 0.215 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 97.3 | -178.2 | 45.7 | 0 | 0 | 0 | 0 | 110.4 | S1685 | S1685-T1687 VanDerWaalsContact C-N 3.26Å; S1685-T1687 PolarHBondContact OG-N 3.45Å; S1685-T1687 PolarHBondContact OG-O 3.36Å |
| 1688 | H | 66.9 | Low | 83.1 | Confident | 16 Ų | 16 | 35.1 Ų | 35.1 | 7% | 0.074 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 129.7 | 175.8 | 177.5 | -105.2 | 0 | 0 | 0 | 109.7 | C1453 G1690 S1691 | C1453-H1688 PolarHBondContact SG-ND1 2.79Å; C1453-H1688 PolarHBondContact SG-O 2.73Å; C1453-H1688 VanDerWaalsContact SG-O 3.38Å; H1688-G1690 PolarHBondContact O-N 2.87Å; H1688-G1690 VanDerWaalsContact O-N 3.09Å; H1688-S1691 PolarHBondContact N-O 3.16Å; H1688-S1691 PolarHBondContact O-N 2.67Å; H1688-S1691 VanDerWaalsContact O-N 3.08Å |
| 1689 | R | 63 | Low | 83.5 | Confident | 128 Ų | 128 | 34 Ų | 34 | 48% | 0.483 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 26.2 | -177.3 | -63 | 175.1 | 179.9 | -145.1 | -1.8 | 115.8 | S1691 | R1689-S1691 VanDerWaalsContact C-N 3.26Å; R1689-S1691 PolarHBondContact O-N 3.16Å |
| 1690 | G | 61 | Low | 83.7 | Confident | 83 Ų | 83 | 33.9 Ų | 33.9 | 86% | 0.856 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -9.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | H1688 | H1688-G1690 PolarHBondContact O-N 2.87Å; H1688-G1690 VanDerWaalsContact O-N 3.09Å |
| 1691 | S | 67.4 | Low | 83.8 | Confident | 23 Ų | 23 | 34 Ų | 34 | 16% | 0.161 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 127.2 | 167 | -58.3 | 0 | 0 | 0 | 0 | 109.7 | H1688 R1689 | H1688-S1691 PolarHBondContact N-O 3.16Å; H1688-S1691 PolarHBondContact O-N 2.67Å; H1688-S1691 VanDerWaalsContact O-N 3.08Å; R1689-S1691 VanDerWaalsContact C-N 3.26Å; R1689-S1691 PolarHBondContact O-N 3.16Å |
| 1692 | A | 75 | Confident | 84 | Confident | 72 Ų | 72 | 30.8 Ų | 30.8 | 60% | 0.595 | 19% | 0.189 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 159.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 1693 | L | 84.7 | Confident | 84.3 | Confident | 15 Ų | 15 | 31.6 Ų | 31.6 | 8% | 0.079 | 19% | 0.193 | C | C | . | . | P | Polyproline II helix | trans | -50.5 | 129 | 168.4 | -171.9 | 85.2 | 0 | 0 | 0 | 110.9 | I1686 L1695 I1697 K1698 Y1798 V1802 L1805 | I1686-L1693 PolarHBondContact O-N 3.14Å; L1693-L1695 PolarHBondContact O-N 3.04Å; L1693-I1697 HydrophobicContact CD1-CB 4.41Å; L1693-I1697 HydrophobicContact CD1-CD1 3.83Å; L1693-I1697 HydrophobicContact CD1-CG2 4.34Å; L1693-I1697 HydrophobicContact CD2-CB 4.14Å; L1693-I1697 HydrophobicContact CD2-CG2 4.25Å; L1693-I1697 HydrophobicContact CG-CB 4.22Å; L1693-I1697 HydrophobicContact CG-CD1 4.23Å; L1693-K1698 HydrophobicContact CD2-CB 4.18Å; L1693-Y1798 HydrophobicContact CD1-CE2 3.74Å; L1693-V1802 HydrophobicContact CD1-CG2 4.2Å; L1693-V1802 HydrophobicContact CD2-CB 4.47Å; L1693-V1802 HydrophobicContact CD2-CG1 3.99Å; L1693-V1802 HydrophobicContact CD2-CG2 3.78Å; L1693-L1805 HydrophobicContact CB-CD1 4.3Å; L1693-L1805 HydrophobicContact CD2-CD1 3.58Å |
| 1694 | P | 87.3 | Confident | 84.4 | Confident | 16 Ų | 16 | 31.4 Ų | 31.4 | 10% | 0.104 | 19% | 0.192 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 128.6 | 173.9 | -30.5 | 38.3 | 0 | 0 | 0 | 112.3 | M1446 Y1449 C1696 I1697 | M1446-P1694 HydrophobicContact CE-CG 4.13Å; M1446-P1694 HydrophobicContact SD-CB 3.82Å; M1446-P1694 HydrophobicContact SD-CG 3.76Å; Y1449-P1694 HydrophobicContact CD1-CG 4.17Å; Y1449-P1694 HydrophobicContact CD2-CG 3.37Å; Y1449-P1694 HydrophobicContact CE2-CG 3.97Å; Y1449-P1694 HydrophobicContact CG-CG 3.46Å; Y1449-P1694 VanDerWaalsContact CG-CG 3.46Å; P1694-C1696 PolarHBondContact O-N 2.92Å; P1694-I1697 HydrophobicContact CB-CD1 4.34Å; P1694-I1697 HydrophobicContact CB-CG1 4.35Å; P1694-I1697 HydrophobicContact CG-CD1 4.32Å; P1694-I1697 WeakPolarHBondContact O-CB 3.28Å; P1694-I1697 PolarHBondContact O-N 3.06Å |
| 1695 | L | 90 | Very high | 84.4 | Confident | 72 Ų | 72 | 31.8 Ų | 31.8 | 38% | 0.377 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -51.2 | -35.9 | -176.5 | -65.5 | 175.2 | 0 | 0 | 0 | 112.5 | L1693 I1697 K1698 Y1699 I1808 M1813 F1816 | L1693-L1695 PolarHBondContact O-N 3.04Å; L1695-I1697 VanDerWaalsContact C-N 3.25Å; L1695-I1697 PolarHBondContact O-N 2.93Å; L1695-K1698 PolarHBondContact O-N 3Å; L1695-Y1699 VanDerWaalsContact O-CB 3.31Å; L1695-Y1699 WeakPolarHBondContact O-CB 3.46Å; L1695-Y1699 PolarHBondContact O-N 3.06Å; L1695-I1808 HydrophobicContact CB-CD1 3.92Å; L1695-I1808 HydrophobicContact CD2-CD1 3.67Å; L1695-I1808 HydrophobicContact CD2-CG1 4.3Å; L1695-I1808 HydrophobicContact CG-CD1 4.41Å; L1695-I1808 WeakPolarHBondContact O-CD1 3.47Å; L1695-M1813 HydrophobicContact CB-SD 4.09Å; L1695-F1816 HydrophobicContact CD1-CB 4.17Å; L1695-F1816 HydrophobicContact CD1-CD2 4.25Å; L1695-F1816 HydrophobicContact CD1-CG 4.08Å |
| 1696 | C | 91.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -30.8 | 177.4 | 60.7 | 0 | 0 | 0 | 0 | 114.2 | W1441 L1445 P1694 M1700 M1813 | W1441-C1696 HydrophobicContact CH2-CB 3.5Å; W1441-C1696 VanDerWaalsContact CH2-CB 3.5Å; W1441-C1696 VanDerWaalsContact CH2-O 3.31Å; W1441-C1696 WeakPolarHBondContact CH2-O 3.5Å; W1441-C1696 HydrophobicContact CZ2-CB 4.19Å; W1441-C1696 HydrophobicContact CZ3-CB 3.71Å; W1441-C1696 WeakPolarHBondContact CZ3-O 3.41Å; L1445-C1696 HydrophobicContact CB-CB 4Å; L1445-C1696 HydrophobicContact CD1-CB 3.63Å; L1445-C1696 HydrophobicContact CG-CB 4.48Å; P1694-C1696 PolarHBondContact O-N 2.92Å; C1696-M1700 WeakPolarHBondContact O-CB 3.5Å; C1696-M1700 PolarHBondContact O-N 2.97Å; C1696-M1700 VanDerWaalsContact O-N 3.11Å; C1696-M1813 HydrophobicContact CB-CE 3.83Å |
| 1697 | I | 93.5 | Very high | 85.3 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71 | -54.7 | 179.8 | -59 | 177.2 | 0 | 0 | 0 | 109.9 | F1442 M1446 L1693 P1694 L1695 Y1699 M1700 Y1701 L1727 | F1442-I1697 HydrophobicContact CE1-CG1 4.3Å; M1446-I1697 HydrophobicContact CE-CD1 4Å; M1446-I1697 HydrophobicContact SD-CD1 3.92Å; M1446-I1697 HydrophobicContact SD-CG1 4.07Å; L1693-I1697 HydrophobicContact CD1-CB 4.41Å; L1693-I1697 HydrophobicContact CD1-CD1 3.83Å; L1693-I1697 HydrophobicContact CD1-CG2 4.34Å; L1693-I1697 HydrophobicContact CD2-CB 4.14Å; L1693-I1697 HydrophobicContact CD2-CG2 4.25Å; L1693-I1697 HydrophobicContact CG-CB 4.22Å; L1693-I1697 HydrophobicContact CG-CD1 4.23Å; P1694-I1697 HydrophobicContact CB-CD1 4.34Å; P1694-I1697 HydrophobicContact CB-CG1 4.35Å; P1694-I1697 HydrophobicContact CG-CD1 4.32Å; P1694-I1697 WeakPolarHBondContact O-CB 3.28Å; P1694-I1697 PolarHBondContact O-N 3.06Å; L1695-I1697 VanDerWaalsContact C-N 3.25Å; L1695-I1697 PolarHBondContact O-N 2.93Å; I1697-Y1699 PolarHBondContact O-N 3.25Å; I1697-M1700 PolarHBondContact O-N 3.16Å; I1697-Y1701 HydrophobicContact CG2-CD2 4.04Å; I1697-Y1701 HydrophobicContact CG2-CE1 4.37Å; I1697-Y1701 HydrophobicContact CG2-CE2 3.76Å; I1697-Y1701 HydrophobicContact CG2-CG 4.42Å; I1697-Y1701 WeakPolarHBondContact O-CB 3.5Å; I1697-Y1701 PolarHBondContact O-N 2.83Å; I1697-L1727 HydrophobicContact CD1-CD2 3.75Å; I1697-L1727 HydrophobicContact CG1-CD2 3.89Å; I1697-L1727 HydrophobicContact CG2-CD2 4Å |
| 1698 | K | 93 | Very high | 85.9 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.3 | -48.4 | 178.4 | 173.6 | 57.4 | 156.3 | 112.9 | 0 | 111 | L1693 L1695 M1700 Y1701 D1702 V1802 L1805 P1806 I1808 | L1693-K1698 HydrophobicContact CD2-CB 4.18Å; L1695-K1698 PolarHBondContact O-N 3Å; K1698-M1700 VanDerWaalsContact C-N 3.33Å; K1698-M1700 PolarHBondContact O-N 2.97Å; K1698-Y1701 PolarHBondContact O-N 3.08Å; K1698-D1702 WeakPolarHBondContact CD-OD1 3.29Å; K1698-D1702 IonicContact NZ-OD1 3.09Å; K1698-D1702 PolarHBondContact NZ-OD1 2.92Å; K1698-D1702 IonicContact NZ-OD2 3.5Å; K1698-D1702 PolarHBondContact NZ-OD2 3.05Å; K1698-D1702 WeakPolarHBondContact O-CB 3.43Å; K1698-D1702 VanDerWaalsContact O-CG 3.3Å; K1698-D1702 PolarHBondContact O-N 3.46Å; K1698-V1802 HydrophobicContact CB-CG1 4.37Å; K1698-V1802 HydrophobicContact CD-CG1 4.03Å; K1698-V1802 WeakPolarHBondContact CD-O 3.07Å; K1698-V1802 WeakPolarHBondContact CE-O 3.04Å; K1698-L1805 HydrophobicContact CD-CB 4.1Å; K1698-L1805 VanDerWaalsContact CE-C 3.44Å; K1698-L1805 WeakPolarHBondContact CE-O 3.32Å; K1698-L1805 HydrophobicContact CG-CB 4.39Å; K1698-L1805 PolarHBondContact NZ-O 3.19Å; K1698-P1806 WeakPolarHBondContact CE-O 3.33Å; K1698-I1808 HydrophobicContact CB-CD1 3.66Å; K1698-I1808 HydrophobicContact CG-CD1 3.71Å; K1698-I1808 HydrophobicContact CG-CG1 4.05Å |
| 1699 | Y | 94.2 | Very high | 87.1 | Confident | 17 Ų | 17 | 35 Ų | 35 | 7% | 0.067 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -59.9 | -38.7 | 179.6 | -176.2 | -100.1 | 0 | 0 | 0 | 113.4 | T1402 K1406 W1441 L1695 I1697 F1703 I1808 D1810 M1813 | T1402-Y1699 HydrophobicContact CG2-CE1 3.8Å; K1406-Y1699 HydrophobicContact CD-CE1 3.87Å; K1406-Y1699 WeakPolarHBondContact CD-OH 3.22Å; K1406-Y1699 PolarHBondContact NZ-OH 3.03Å; W1441-Y1699 HydrophobicContact CH2-CD1 4.45Å; L1695-Y1699 VanDerWaalsContact O-CB 3.31Å; L1695-Y1699 WeakPolarHBondContact O-CB 3.46Å; L1695-Y1699 PolarHBondContact O-N 3.06Å; I1697-Y1699 PolarHBondContact O-N 3.25Å; Y1699-F1703 PolarHBondContact O-N 2.61Å; Y1699-I1808 HydrophobicContact CD2-CB 4.35Å; Y1699-I1808 HydrophobicContact CD2-CG2 4.29Å; Y1699-D1810 VanDerWaalsContact CE2-OD1 3.3Å; Y1699-D1810 WeakPolarHBondContact CE2-OD1 3.43Å; Y1699-D1810 PolarHBondContact OH-OD1 2.92Å; Y1699-M1813 HydrophobicContact CD1-CE 4.38Å; Y1699-M1813 HydrophobicContact CD1-CG 3.72Å; Y1699-M1813 HydrophobicContact CD1-SD 4.24Å; Y1699-M1813 HydrophobicContact CD2-CB 3.83Å; Y1699-M1813 HydrophobicContact CD2-CG 3.81Å; Y1699-M1813 HydrophobicContact CD2-SD 4.47Å; Y1699-M1813 HydrophobicContact CE1-CG 3.84Å; Y1699-M1813 HydrophobicContact CE2-CB 3.77Å; Y1699-M1813 HydrophobicContact CE2-CG 3.94Å; Y1699-M1813 HydrophobicContact CG-CB 4.24Å; Y1699-M1813 HydrophobicContact CG-CG 3.69Å; Y1699-M1813 HydrophobicContact CG-SD 3.99Å |
| 1700 | M | 93.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -78.7 | -32.8 | 177.8 | -172.8 | 59.1 | 62.9 | 0 | 0 | 112.9 | L1405 L1409 L1438 W1441 F1442 C1696 I1697 K1698 F1703 M1704 | L1405-M1700 HydrophobicContact CD2-CE 4.04Å; L1409-M1700 HydrophobicContact CD1-CE 4.27Å; L1409-M1700 HydrophobicContact CD1-SD 3.88Å; L1438-M1700 HydrophobicContact CD1-CE 3.77Å; L1438-M1700 HydrophobicContact CD1-CG 3.89Å; L1438-M1700 HydrophobicContact CD1-SD 3.78Å; W1441-M1700 HydrophobicContact CD2-CE 4.31Å; W1441-M1700 HydrophobicContact CE3-CE 3.95Å; W1441-M1700 HydrophobicContact CH2-CB 4.07Å; W1441-M1700 HydrophobicContact CH2-CE 3.71Å; W1441-M1700 HydrophobicContact CZ2-CE 4.1Å; W1441-M1700 HydrophobicContact CZ3-CB 3.87Å; W1441-M1700 HydrophobicContact CZ3-CE 3.64Å; W1441-M1700 HydrophobicContact CZ3-CG 4.26Å; F1442-M1700 HydrophobicContact CE1-CB 4.45Å; F1442-M1700 HydrophobicContact CE2-CG 4.36Å; F1442-M1700 HydrophobicContact CZ-CB 4.01Å; F1442-M1700 HydrophobicContact CZ-CG 3.84Å; C1696-M1700 WeakPolarHBondContact O-CB 3.5Å; C1696-M1700 PolarHBondContact O-N 2.97Å; C1696-M1700 VanDerWaalsContact O-N 3.11Å; I1697-M1700 PolarHBondContact O-N 3.16Å; K1698-M1700 VanDerWaalsContact C-N 3.33Å; K1698-M1700 PolarHBondContact O-N 2.97Å; M1700-F1703 HydrophobicContact SD-CD1 3.93Å; M1700-M1704 HydrophobicContact CG-CE 3.85Å; M1700-M1704 WeakPolarHBondContact O-CG 3.47Å; M1700-M1704 PolarHBondContact O-N 2.88Å; M1700-M1704 HydrophobicContact SD-CE 4.2Å |
| 1701 | Y | 94.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 33.4 Ų | 33.4 | 0% | 0.004 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.3 | -39.3 | 174.4 | -77.1 | 5.5 | 0 | 0 | 0 | 112 | I1697 K1698 F1703 M1704 D1705 K1723 Y1798 Y1799 V1802 | I1697-Y1701 HydrophobicContact CG2-CD2 4.04Å; I1697-Y1701 HydrophobicContact CG2-CE1 4.37Å; I1697-Y1701 HydrophobicContact CG2-CE2 3.76Å; I1697-Y1701 HydrophobicContact CG2-CG 4.42Å; I1697-Y1701 WeakPolarHBondContact O-CB 3.5Å; I1697-Y1701 PolarHBondContact O-N 2.83Å; K1698-Y1701 PolarHBondContact O-N 3.08Å; Y1701-F1703 VanDerWaalsContact C-N 3.32Å; Y1701-F1703 PolarHBondContact O-N 3.17Å; Y1701-M1704 HydrophobicContact CD1-SD 4.43Å; Y1701-M1704 PolarHBondContact O-N 2.96Å; Y1701-M1704 VanDerWaalsContact O-N 3.11Å; Y1701-D1705 PolarHBondContact O-N 2.91Å; Y1701-K1723 HydrophobicContact CD1-CB 4.34Å; Y1701-K1723 HydrophobicContact CD1-CD 4.46Å; Y1701-K1723 HydrophobicContact CD1-CG 3.85Å; Y1701-K1723 HydrophobicContact CD2-CD 3.88Å; Y1701-K1723 HydrophobicContact CD2-CG 4.1Å; Y1701-K1723 HydrophobicContact CE1-CB 3.92Å; Y1701-K1723 HydrophobicContact CE1-CG 3.96Å; Y1701-K1723 HydrophobicContact CE2-CB 4.21Å; Y1701-K1723 HydrophobicContact CE2-CD 4.24Å; Y1701-K1723 HydrophobicContact CE2-CG 4.24Å; Y1701-K1723 HydrophobicContact CG-CD 4.03Å; Y1701-K1723 HydrophobicContact CG-CG 3.94Å; Y1701-Y1798 HydrophobicContact CE2-CE1 4.17Å; Y1701-Y1799 AromaticContact CE2-CD1 3.83Å; Y1701-Y1799 HydrophobicContact CE2-CD1 3.83Å; Y1701-Y1799 AromaticContact CE2-CE1 3.81Å; Y1701-Y1799 HydrophobicContact CE2-CE1 3.81Å; Y1701-V1802 HydrophobicContact CD2-CB 4.38Å; Y1701-V1802 HydrophobicContact CD2-CG1 3.7Å; Y1701-V1802 HydrophobicContact CE2-CG1 4.41Å |
| 1702 | D | 93.4 | Very high | 90.6 | Very high | 22 Ų | 22 | 34.7 Ų | 34.7 | 12% | 0.118 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.8 | -44.8 | 171.9 | -73.8 | -9.3 | 0 | 0 | 0 | 110.5 | K1698 M1704 D1705 D1706 | K1698-D1702 WeakPolarHBondContact CD-OD1 3.29Å; K1698-D1702 IonicContact NZ-OD1 3.09Å; K1698-D1702 PolarHBondContact NZ-OD1 2.92Å; K1698-D1702 IonicContact NZ-OD2 3.5Å; K1698-D1702 PolarHBondContact NZ-OD2 3.05Å; K1698-D1702 WeakPolarHBondContact O-CB 3.43Å; K1698-D1702 VanDerWaalsContact O-CG 3.3Å; K1698-D1702 PolarHBondContact O-N 3.46Å; D1702-M1704 VanDerWaalsContact C-N 3.32Å; D1702-M1704 PolarHBondContact O-N 2.67Å; D1702-D1705 PolarHBondContact O-N 2.78Å; D1702-D1706 WeakPolarHBondContact O-CB 3.47Å; D1702-D1706 PolarHBondContact O-N 3.46Å |
| 1703 | F | 93.8 | Very high | 91.2 | Very high | 17 Ų | 17 | 32.3 Ų | 32.3 | 8% | 0.075 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -39.9 | 172.9 | 172 | -100.7 | 0 | 0 | 0 | 112.6 | K1406 L1409 A1410 Y1699 M1700 Y1701 Q1707 | K1406-F1703 HydrophobicContact CB-CD2 4.45Å; K1406-F1703 HydrophobicContact CB-CE2 4.01Å; K1406-F1703 HydrophobicContact CB-CZ 4.21Å; K1406-F1703 HydrophobicContact CD-CD2 4.45Å; K1406-F1703 HydrophobicContact CG-CD2 4.13Å; K1406-F1703 HydrophobicContact CG-CE2 4.18Å; K1406-F1703 HydrophobicContact CG-CG 4.36Å; K1406-F1703 HydrophobicContact CG-CZ 4.47Å; K1406-F1703 WeakPolarHBondContact O-CZ 3.44Å; L1409-F1703 HydrophobicContact CB-CE1 3.69Å; L1409-F1703 HydrophobicContact CB-CZ 4.05Å; L1409-F1703 HydrophobicContact CD1-CE1 4.13Å; A1410-F1703 HydrophobicContact CB-CE2 4.49Å; A1410-F1703 HydrophobicContact CB-CZ 4.1Å; Y1699-F1703 PolarHBondContact O-N 2.61Å; M1700-F1703 HydrophobicContact SD-CD1 3.93Å; Y1701-F1703 VanDerWaalsContact C-N 3.32Å; Y1701-F1703 PolarHBondContact O-N 3.17Å; F1703-Q1707 HydrophobicContact CD1-CG 4.5Å; F1703-Q1707 HydrophobicContact CD2-CG 4.14Å; F1703-Q1707 HydrophobicContact CE1-CG 4.1Å; F1703-Q1707 HydrophobicContact CE2-CG 3.72Å; F1703-Q1707 HydrophobicContact CZ-CG 3.69Å; F1703-Q1707 WeakPolarHBondContact O-CB 3.44Å; F1703-Q1707 WeakPolarHBondContact O-CG 3.36Å; F1703-Q1707 PolarHBondContact O-N 2.76Å |
| 1704 | M | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.5 | -38.3 | 175.5 | -73.1 | 176.3 | -169.6 | 0 | 0 | 112.8 | F1427 L1438 M1700 Y1701 D1702 A1708 W1722 | F1427-M1704 HydrophobicContact CD2-CE 4.2Å; F1427-M1704 HydrophobicContact CD2-SD 4.48Å; F1427-M1704 HydrophobicContact CE2-CE 3.85Å; F1427-M1704 HydrophobicContact CE2-CG 4.41Å; F1427-M1704 HydrophobicContact CE2-SD 4.06Å; F1427-M1704 HydrophobicContact CZ-CE 4.23Å; L1438-M1704 HydrophobicContact CD2-CE 3.94Å; M1700-M1704 HydrophobicContact CG-CE 3.85Å; M1700-M1704 WeakPolarHBondContact O-CG 3.47Å; M1700-M1704 PolarHBondContact O-N 2.88Å; M1700-M1704 HydrophobicContact SD-CE 4.2Å; Y1701-M1704 HydrophobicContact CD1-SD 4.43Å; Y1701-M1704 PolarHBondContact O-N 2.96Å; Y1701-M1704 VanDerWaalsContact O-N 3.11Å; D1702-M1704 VanDerWaalsContact C-N 3.32Å; D1702-M1704 PolarHBondContact O-N 2.67Å; M1704-A1708 WeakPolarHBondContact O-CB 3.46Å; M1704-A1708 PolarHBondContact O-N 3.2Å; M1704-W1722 HydrophobicContact CB-CE3 4.35Å; M1704-W1722 HydrophobicContact SD-CB 4.3Å |
| 1705 | D | 92.2 | Very high | 91 | Very high | 20 Ų | 20 | 39.9 Ų | 39.9 | 11% | 0.107 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.3 | -45.3 | 177.6 | -69.5 | -11.4 | 0 | 0 | 0 | 110.9 | Y1701 D1702 Q1707 A1708 L1709 V1719 K1723 | Y1701-D1705 PolarHBondContact O-N 2.91Å; D1702-D1705 PolarHBondContact O-N 2.78Å; D1705-Q1707 VanDerWaalsContact C-N 3.35Å; D1705-Q1707 PolarHBondContact O-N 3.17Å; D1705-A1708 WeakPolarHBondContact O-CB 3.27Å; D1705-A1708 PolarHBondContact O-N 2.93Å; D1705-L1709 WeakPolarHBondContact O-CG 3.48Å; D1705-L1709 PolarHBondContact O-N 3.26Å; D1705-V1719 WeakPolarHBondContact OD1-CG1 3.21Å; D1705-K1723 WeakPolarHBondContact OD1-CE 3.5Å; D1705-K1723 IonicContact OD1-NZ 2.88Å; D1705-K1723 PolarHBondContact OD1-NZ 3.21Å; D1705-K1723 IonicContact OD2-NZ 3.7Å; D1705-K1723 PolarHBondContact OD2-NZ 3.2Å |
| 1706 | D | 92.9 | Very high | 90.7 | Very high | 101 Ų | 101 | 41.1 Ų | 41.1 | 54% | 0.54 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 174.1 | -79 | -17.1 | 0 | 0 | 0 | 111.8 | D1702 L1709 L1710 | D1702-D1706 WeakPolarHBondContact O-CB 3.47Å; D1702-D1706 PolarHBondContact O-N 3.46Å; D1706-L1709 PolarHBondContact O-N 3.15Å; D1706-L1710 VanDerWaalsContact O-CB 3.23Å; D1706-L1710 WeakPolarHBondContact O-CB 3.17Å; D1706-L1710 PolarHBondContact O-N 2.9Å |
| 1707 | Q | 92.8 | Very high | 90.4 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 10% | 0.103 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -68.4 | -36.1 | 176.2 | -69.2 | -64.5 | -78.4 | 0 | 0 | 112.3 | A1410 I1413 F1703 D1705 H1711 | A1410-Q1707 VanDerWaalsContact CA-OE1 3.3Å; A1410-Q1707 VanDerWaalsContact CB-OE1 3.22Å; I1413-Q1707 HydrophobicContact CD1-CB 3.66Å; I1413-Q1707 HydrophobicContact CD1-CG 3.87Å; I1413-Q1707 HydrophobicContact CG2-CB 4.42Å; F1703-Q1707 HydrophobicContact CD1-CG 4.5Å; F1703-Q1707 HydrophobicContact CD2-CG 4.14Å; F1703-Q1707 HydrophobicContact CE1-CG 4.1Å; F1703-Q1707 HydrophobicContact CE2-CG 3.72Å; F1703-Q1707 HydrophobicContact CZ-CG 3.69Å; F1703-Q1707 WeakPolarHBondContact O-CB 3.44Å; F1703-Q1707 WeakPolarHBondContact O-CG 3.36Å; F1703-Q1707 PolarHBondContact O-N 2.76Å; D1705-Q1707 VanDerWaalsContact C-N 3.35Å; D1705-Q1707 PolarHBondContact O-N 3.17Å; Q1707-H1711 PolarHBondContact O-CD2 3.33Å; Q1707-H1711 VanDerWaalsContact O-CD2 3.26Å; Q1707-H1711 PolarHBondContact O-N 3.35Å |
| 1708 | A | 90.7 | Very high | 90.2 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 2% | 0.017 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -46.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1704 D1705 H1711 G1712 I1713 V1719 W1722 | M1704-A1708 WeakPolarHBondContact O-CB 3.46Å; M1704-A1708 PolarHBondContact O-N 3.2Å; D1705-A1708 WeakPolarHBondContact O-CB 3.27Å; D1705-A1708 PolarHBondContact O-N 2.93Å; A1708-H1711 CarbonylContact O-C 3.6Å; A1708-H1711 PolarHBondContact O-N 2.02Å; A1708-G1712 PolarHBondContact O-N 3.07Å; A1708-G1712 VanDerWaalsContact O-N 3.12Å; A1708-I1713 HydrophobicContact CB-CB 4.13Å; A1708-I1713 PolarHBondContact O-N 2.9Å; A1708-V1719 HydrophobicContact CB-CG2 3.76Å; A1708-W1722 HydrophobicContact CB-CZ3 3.97Å |
| 1709 | L | 91 | Very high | 89.9 | Confident | 116 Ų | 116 | 45.4 Ų | 45.4 | 61% | 0.607 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 176.5 | -70.4 | 170.7 | 0 | 0 | 0 | 112.2 | D1705 D1706 H1711 G1712 | D1705-L1709 WeakPolarHBondContact O-CG 3.48Å; D1705-L1709 PolarHBondContact O-N 3.26Å; D1706-L1709 PolarHBondContact O-N 3.15Å; L1709-H1711 PolarHBondContact O-N 2.93Å; L1709-G1712 PolarHBondContact O-N 3.19Å |
| 1710 | L | 92.1 | Very high | 89.8 | Confident | 125 Ų | 125 | 45.9 Ų | 45.9 | 65% | 0.654 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.2 | -34.8 | 179 | -175 | 67.7 | 0 | 0 | 0 | 112.5 | D1706 | D1706-L1710 VanDerWaalsContact O-CB 3.23Å; D1706-L1710 WeakPolarHBondContact O-CB 3.17Å; D1706-L1710 PolarHBondContact O-N 2.9Å |
| 1711 | H | 89 | Confident | 89.6 | Confident | 53 Ų | 53 | 46.7 Ų | 46.7 | 25% | 0.245 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 9.9 | 178.4 | -68.7 | -65.9 | 0 | 0 | 0 | 114.3 | V1417 Q1707 A1708 L1709 I1713 | V1417-H1711 HydrophobicContact CG1-CB 4.35Å; V1417-H1711 HydrophobicContact CG2-CB 4.16Å; Q1707-H1711 PolarHBondContact O-CD2 3.33Å; Q1707-H1711 VanDerWaalsContact O-CD2 3.26Å; Q1707-H1711 PolarHBondContact O-N 3.35Å; A1708-H1711 CarbonylContact O-C 3.6Å; A1708-H1711 PolarHBondContact O-N 2.02Å; L1709-H1711 PolarHBondContact O-N 2.93Å; H1711-I1713 HydrophobicContact CB-CG1 4.47Å; H1711-I1713 PolarHBondContact O-N 3.09Å |
| 1712 | G | 85.2 | Confident | 89.4 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 23.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A1708 L1709 N1714 | A1708-G1712 PolarHBondContact O-N 3.07Å; A1708-G1712 VanDerWaalsContact O-N 3.12Å; L1709-G1712 PolarHBondContact O-N 3.19Å; G1712-N1714 PolarHBondContact O-N 2.95Å |
| 1713 | I | 86.3 | Confident | 89.3 | Confident | 22 Ų | 22 | 46.1 Ų | 46.1 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | trans | -84.5 | 88.8 | 178.6 | -57.1 | 177.2 | 0 | 0 | 0 | 109.1 | V1417 P1423 A1708 H1711 V1718 W1722 | V1417-I1713 HydrophobicContact CG2-CD1 3.87Å; P1423-I1713 HydrophobicContact CB-CD1 4.48Å; A1708-I1713 HydrophobicContact CB-CB 4.13Å; A1708-I1713 PolarHBondContact O-N 2.9Å; H1711-I1713 HydrophobicContact CB-CG1 4.47Å; H1711-I1713 PolarHBondContact O-N 3.09Å; I1713-V1718 HydrophobicContact CG2-CB 3.74Å; I1713-V1718 HydrophobicContact CG2-CG1 3.58Å; I1713-V1718 HydrophobicContact CG2-CG2 4.16Å; I1713-W1722 HydrophobicContact CD1-CH2 3.46Å; I1713-W1722 VanDerWaalsContact CD1-CH2 3.46Å; I1713-W1722 HydrophobicContact CD1-CZ2 3.61Å; I1713-W1722 HydrophobicContact CD1-CZ3 4.49Å | ||
| 1714 | N | 82.5 | Confident | 89.2 | Confident | 136 Ų | 136 | 45.4 Ų | 45.4 | 73% | 0.727 | 26% | 0.256 | S | S | * | . | trans | -91.2 | 5.9 | 178.9 | -59.8 | -17.1 | 0 | 0 | 0 | 113.6 | G1712 P1716 | G1712-N1714 PolarHBondContact O-N 2.95Å; N1714-P1716 WeakPolarHBondContact O-CD 3.26Å | ||
| 1715 | D | 85.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 26% | 0.258 | S | S | . | . | trans | -84.8 | 109.9 | 178.3 | 176.8 | 3.4 | 0 | 0 | 0 | 110.2 | R1424 E1717 V1718 V1719 | R1424-D1715 IonicContact CZ-OD2 2.76Å; R1424-D1715 IonicContact NE-OD2 3.89Å; R1424-D1715 PolarHBondContact NE-OD2 3.14Å; R1424-D1715 VanDerWaalsContact NE-OD2 3.16Å; R1424-D1715 IonicContact NH2-OD1 3.69Å; R1424-D1715 PolarHBondContact NH2-OD1 3.45Å; R1424-D1715 IonicContact NH2-OD2 2.8Å; R1424-D1715 PolarHBondContact NH2-OD2 3.42Å; D1715-E1717 PolarHBondContact O-N 3.4Å; D1715-E1717 WeakPolarHBondContact OD1-CB 3.4Å; D1715-E1717 PolarHBondContact OD1-N 2.95Å; D1715-V1718 HydrophobicContact CB-CB 4.39Å; D1715-V1718 HydrophobicContact CB-CG2 3.85Å; D1715-V1718 WeakPolarHBondContact O-CB 3.32Å; D1715-V1718 PolarHBondContact O-N 3.28Å; D1715-V1718 WeakPolarHBondContact OD2-CG2 3.48Å; D1715-V1719 PolarHBondContact O-N 3.1Å | ||
| 1716 | P | 84.2 | Confident | 88.9 | Confident | 98 Ų | 98 | 45 Ų | 45 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64.4 | -26.7 | -177 | 27.6 | -35.2 | 0 | 0 | 0 | 112.7 | N1714 V1718 V1719 H1720 | N1714-P1716 WeakPolarHBondContact O-CD 3.26Å; P1716-V1718 VanDerWaalsContact C-N 3.26Å; P1716-V1718 PolarHBondContact O-N 2.82Å; P1716-V1719 PolarHBondContact O-N 3.2Å; P1716-H1720 VanDerWaalsContact O-CB 3.25Å; P1716-H1720 WeakPolarHBondContact O-CB 3.45Å; P1716-H1720 PolarHBondContact O-N 2.79Å |
| 1717 | E | 85.8 | Confident | 88.8 | Confident | 70 Ų | 70 | 40.2 Ų | 40.2 | 33% | 0.327 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.3 | -24.7 | 176 | -65.8 | -173.8 | -106.4 | 0 | 0 | 112.3 | R1424 D1715 A1721 T1768 | R1424-E1717 VanDerWaalsContact CZ-CB 3.47Å; R1424-E1717 IonicContact CZ-OE1 3.61Å; R1424-E1717 IonicContact CZ-OE2 2.74Å; R1424-E1717 IonicContact NH1-OE1 2.74Å; R1424-E1717 PolarHBondContact NH1-OE1 2.94Å; R1424-E1717 IonicContact NH1-OE2 3.68Å; R1424-E1717 PolarHBondContact NH1-OE2 3.47Å; R1424-E1717 IonicContact NH2-OE1 2.89Å; R1424-E1717 PolarHBondContact NH2-OE1 3.42Å; R1424-E1717 IonicContact NH2-OE2 2.61Å; D1715-E1717 PolarHBondContact O-N 3.4Å; D1715-E1717 WeakPolarHBondContact OD1-CB 3.4Å; D1715-E1717 PolarHBondContact OD1-N 2.95Å; E1717-A1721 WeakPolarHBondContact O-CB 3.44Å; E1717-A1721 PolarHBondContact O-N 3.34Å; E1717-A1721 VanDerWaalsContact O-N 3.08Å; E1717-T1768 HydrophobicContact CG-CG2 4.42Å; E1717-T1768 PolarHBondContact OE2-OG1 2.97Å |
| 1718 | V | 87.8 | Confident | 88.7 | Confident | 6 Ų | 6 | 39.2 Ų | 39.2 | 4% | 0.036 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.1 | -49.2 | 171.7 | 175.3 | 0 | 0 | 0 | 0 | 110.3 | P1423 R1424 I1713 D1715 P1716 A1721 W1722 | P1423-V1718 HydrophobicContact CB-CG1 3.59Å; P1423-V1718 HydrophobicContact CB-CG2 4.29Å; R1424-V1718 HydrophobicContact CG-CB 4.26Å; R1424-V1718 HydrophobicContact CG-CG2 3.5Å; I1713-V1718 HydrophobicContact CG2-CB 3.74Å; I1713-V1718 HydrophobicContact CG2-CG1 3.58Å; I1713-V1718 HydrophobicContact CG2-CG2 4.16Å; D1715-V1718 HydrophobicContact CB-CB 4.39Å; D1715-V1718 HydrophobicContact CB-CG2 3.85Å; D1715-V1718 WeakPolarHBondContact O-CB 3.32Å; D1715-V1718 PolarHBondContact O-N 3.28Å; D1715-V1718 WeakPolarHBondContact OD2-CG2 3.48Å; P1716-V1718 VanDerWaalsContact C-N 3.26Å; P1716-V1718 PolarHBondContact O-N 2.82Å; V1718-A1721 WeakPolarHBondContact O-CB 3.37Å; V1718-A1721 PolarHBondContact O-N 3.11Å; V1718-W1722 HydrophobicContact CG1-CD2 4.39Å; V1718-W1722 HydrophobicContact CG1-CZ2 4.12Å; V1718-W1722 VanDerWaalsContact O-CD1 3.28Å; V1718-W1722 PolarHBondContact O-N 2.04Å |
| 1719 | V | 88.6 | Confident | 88.5 | Confident | 23 Ų | 23 | 41.1 Ų | 41.1 | 14% | 0.139 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | -178 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | D1705 A1708 D1715 P1716 A1721 W1722 K1723 | D1705-V1719 WeakPolarHBondContact OD1-CG1 3.21Å; A1708-V1719 HydrophobicContact CB-CG2 3.76Å; D1715-V1719 PolarHBondContact O-N 3.1Å; P1716-V1719 PolarHBondContact O-N 3.2Å; V1719-A1721 VanDerWaalsContact C-N 3.33Å; V1719-A1721 PolarHBondContact O-N 2.67Å; V1719-W1722 WeakPolarHBondContact O-CB 3.44Å; V1719-W1722 PolarHBondContact O-N 2.93Å; V1719-W1722 VanDerWaalsContact O-N 3.17Å; V1719-K1723 HydrophobicContact CG1-CD 4.42Å; V1719-K1723 WeakPolarHBondContact O-CG 3.49Å; V1719-K1723 PolarHBondContact O-N 3.38Å |
| 1720 | H | 91 | Very high | 88.3 | Confident | 27 Ų | 27 | 39.2 Ų | 39.2 | 13% | 0.125 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.5 | -47.6 | 170.5 | -177.7 | 110.1 | 0 | 0 | 0 | 111.3 | P1716 W1722 K1723 S1724 C1766 Y1799 | P1716-H1720 VanDerWaalsContact O-CB 3.25Å; P1716-H1720 WeakPolarHBondContact O-CB 3.45Å; P1716-H1720 PolarHBondContact O-N 2.79Å; H1720-W1722 VanDerWaalsContact C-N 3.33Å; H1720-W1722 PolarHBondContact O-N 3.23Å; H1720-K1723 PolarHBondContact O-N 3.12Å; H1720-S1724 WeakPolarHBondContact O-CB 3.45Å; H1720-S1724 PolarHBondContact O-N 2.94Å; H1720-S1724 PolarHBondContact O-OG 3.32Å; H1720-C1766 PolarHBondContact NE2-O 2.93Å; H1720-Y1799 AromaticContact CE1-CD2 3.82Å; H1720-Y1799 AromaticContact CE1-CE2 3.62Å; H1720-Y1799 AromaticContact CG-CE2 3.9Å; H1720-Y1799 AromaticContact ND1-CD2 3.47Å; H1720-Y1799 WeakPolarHBondContact ND1-CD2 3.21Å; H1720-Y1799 AromaticContact ND1-CE2 3.59Å; H1720-Y1799 AromaticContact NE2-CE2 3.92Å |
| 1721 | A | 88.8 | Confident | 88.2 | Confident | 17 Ų | 17 | 33.6 Ų | 33.6 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -38.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1424 E1717 V1718 V1719 N1725 | R1424-A1721 HydrophobicContact CB-CB 4.34Å; R1424-A1721 WeakPolarHBondContact O-CB 3.37Å; E1717-A1721 WeakPolarHBondContact O-CB 3.44Å; E1717-A1721 PolarHBondContact O-N 3.34Å; E1717-A1721 VanDerWaalsContact O-N 3.08Å; V1718-A1721 WeakPolarHBondContact O-CB 3.37Å; V1718-A1721 PolarHBondContact O-N 3.11Å; V1719-A1721 VanDerWaalsContact C-N 3.33Å; V1719-A1721 PolarHBondContact O-N 2.67Å; A1721-N1725 WeakPolarHBondContact O-CB 3.47Å; A1721-N1725 PolarHBondContact O-N 3.41Å; A1721-N1725 PolarHBondContact O-ND2 3.06Å |
| 1722 | W | 90.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 175 | -70.7 | 5.7 | 0 | 0 | 0 | 112.2 | I1413 P1423 L1426 F1427 M1704 A1708 I1713 V1718 V1719 H1720 S1726 | I1413-W1722 HydrophobicContact CD1-CH2 4.4Å; I1413-W1722 HydrophobicContact CD1-CZ3 4.12Å; I1413-W1722 HydrophobicContact CG1-CH2 4.22Å; I1413-W1722 HydrophobicContact CG1-CZ3 4.41Å; I1413-W1722 HydrophobicContact CG2-CH2 3.54Å; I1413-W1722 HydrophobicContact CG2-CZ2 4.3Å; I1413-W1722 HydrophobicContact CG2-CZ3 4.21Å; P1423-W1722 HydrophobicContact CB-CZ2 4.35Å; P1423-W1722 PolarHBondContact O-NE1 2.95Å; L1426-W1722 HydrophobicContact CD2-CZ2 3.97Å; F1427-W1722 HydrophobicContact CD2-CB 4.01Å; F1427-W1722 HydrophobicContact CD2-CG 4.2Å; F1427-W1722 HydrophobicContact CE2-CB 3.97Å; F1427-W1722 HydrophobicContact CE2-CD2 4.2Å; F1427-W1722 AromaticContact CE2-CG 3.98Å; F1427-W1722 HydrophobicContact CE2-CG 3.98Å; M1704-W1722 HydrophobicContact CB-CE3 4.35Å; M1704-W1722 HydrophobicContact SD-CB 4.3Å; A1708-W1722 HydrophobicContact CB-CZ3 3.97Å; I1713-W1722 HydrophobicContact CD1-CH2 3.46Å; I1713-W1722 VanDerWaalsContact CD1-CH2 3.46Å; I1713-W1722 HydrophobicContact CD1-CZ2 3.61Å; I1713-W1722 HydrophobicContact CD1-CZ3 4.49Å; V1718-W1722 HydrophobicContact CG1-CD2 4.39Å; V1718-W1722 HydrophobicContact CG1-CZ2 4.12Å; V1718-W1722 VanDerWaalsContact O-CD1 3.28Å; V1718-W1722 PolarHBondContact O-N 2.04Å; V1719-W1722 WeakPolarHBondContact O-CB 3.44Å; V1719-W1722 PolarHBondContact O-N 2.93Å; V1719-W1722 VanDerWaalsContact O-N 3.17Å; H1720-W1722 VanDerWaalsContact C-N 3.33Å; H1720-W1722 PolarHBondContact O-N 3.23Å; W1722-S1726 VanDerWaalsContact O-CB 3.26Å; W1722-S1726 WeakPolarHBondContact O-CB 3.37Å; W1722-S1726 PolarHBondContact O-N 3.07Å; W1722-S1726 PolarHBondContact O-OG 3.3Å |
| 1723 | K | 92.2 | Very high | 88.6 | Confident | 9 Ų | 9 | 29.5 Ų | 29.5 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63.5 | -45.8 | 176.5 | -66.9 | 177.5 | 179.6 | 176.6 | 0 | 111.6 | Y1701 D1705 V1719 H1720 S1726 L1727 P1728 Y1799 | Y1701-K1723 HydrophobicContact CD1-CB 4.34Å; Y1701-K1723 HydrophobicContact CD1-CD 4.46Å; Y1701-K1723 HydrophobicContact CD1-CG 3.85Å; Y1701-K1723 HydrophobicContact CD2-CD 3.88Å; Y1701-K1723 HydrophobicContact CD2-CG 4.1Å; Y1701-K1723 HydrophobicContact CE1-CB 3.92Å; Y1701-K1723 HydrophobicContact CE1-CG 3.96Å; Y1701-K1723 HydrophobicContact CE2-CB 4.21Å; Y1701-K1723 HydrophobicContact CE2-CD 4.24Å; Y1701-K1723 HydrophobicContact CE2-CG 4.24Å; Y1701-K1723 HydrophobicContact CG-CD 4.03Å; Y1701-K1723 HydrophobicContact CG-CG 3.94Å; D1705-K1723 WeakPolarHBondContact OD1-CE 3.5Å; D1705-K1723 IonicContact OD1-NZ 2.88Å; D1705-K1723 PolarHBondContact OD1-NZ 3.21Å; D1705-K1723 IonicContact OD2-NZ 3.7Å; D1705-K1723 PolarHBondContact OD2-NZ 3.2Å; V1719-K1723 HydrophobicContact CG1-CD 4.42Å; V1719-K1723 WeakPolarHBondContact O-CG 3.49Å; V1719-K1723 PolarHBondContact O-N 3.38Å; H1720-K1723 PolarHBondContact O-N 3.12Å; K1723-S1726 PolarHBondContact O-OG 3.15Å; K1723-S1726 VanDerWaalsContact O-OG 3.1Å; K1723-L1727 PolarHBondContact O-N 3.43Å; K1723-P1728 WeakPolarHBondContact O-CD 3.39Å; K1723-Y1799 HydrophobicContact CB-CD1 4.17Å; K1723-Y1799 HydrophobicContact CB-CE1 3.72Å; K1723-Y1799 HydrophobicContact CB-CE2 4.13Å; K1723-Y1799 HydrophobicContact CD-CD1 4.17Å; K1723-Y1799 HydrophobicContact CD-CG 4.26Å |
| 1724 | S | 91.4 | Very high | 88.7 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 176.2 | -75.2 | 0 | 0 | 0 | 0 | 113.2 | H1720 S1726 P1728 L1729 Y1799 | H1720-S1724 WeakPolarHBondContact O-CB 3.45Å; H1720-S1724 PolarHBondContact O-N 2.94Å; H1720-S1724 PolarHBondContact O-OG 3.32Å; S1724-S1726 VanDerWaalsContact C-N 3.35Å; S1724-S1726 PolarHBondContact O-N 3.09Å; S1724-P1728 WeakPolarHBondContact O-CD 3.36Å; S1724-L1729 WeakPolarHBondContact O-CB 3.3Å; S1724-L1729 WeakPolarHBondContact O-CG 3.44Å; S1724-L1729 PolarHBondContact O-N 3.21Å; S1724-Y1799 WeakPolarHBondContact CA-OH 3.48Å; S1724-Y1799 PolarHBondContact N-OH 3.12Å; S1724-Y1799 VanDerWaalsContact N-OH 3.08Å; S1724-Y1799 PolarHBondContact OG-OH 3.29Å |
| 1725 | N | 89.5 | Confident | 89.1 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -69.2 | -31.3 | -178.3 | -72.2 | -29.8 | 0 | 0 | 0 | 112.5 | R1424 L1426 F1427 R1428 A1721 L1729 R1730 | R1424-N1725 PolarHBondContact O-ND2 3.04Å; L1426-N1725 WeakPolarHBondContact O-CB 3.35Å; L1426-N1725 PolarHBondContact O-ND2 3.07Å; F1427-N1725 HydrophobicContact CB-CB 3.86Å; R1428-N1725 HydrophobicContact CB-CB 4.26Å; R1428-N1725 WeakPolarHBondContact CG-OD1 3.27Å; A1721-N1725 WeakPolarHBondContact O-CB 3.47Å; A1721-N1725 PolarHBondContact O-N 3.41Å; A1721-N1725 PolarHBondContact O-ND2 3.06Å; N1725-L1729 WeakPolarHBondContact OD1-CD1 3.36Å; N1725-R1730 WeakPolarHBondContact O-CG 3.42Å |
| 1726 | S | 89.4 | Confident | 89.4 | Confident | 3 Ų | 3 | 22 Ų | 22 | 2% | 0.021 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -82.1 | -40.3 | -174.2 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | W1722 K1723 S1724 R1730 | W1722-S1726 VanDerWaalsContact O-CB 3.26Å; W1722-S1726 WeakPolarHBondContact O-CB 3.37Å; W1722-S1726 PolarHBondContact O-N 3.07Å; W1722-S1726 PolarHBondContact O-OG 3.3Å; K1723-S1726 PolarHBondContact O-OG 3.15Å; K1723-S1726 VanDerWaalsContact O-OG 3.1Å; S1724-S1726 VanDerWaalsContact C-N 3.35Å; S1724-S1726 PolarHBondContact O-N 3.09Å; S1726-R1730 WeakPolarHBondContact O-CB 3.35Å |
| 1727 | L | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -70.8 | -178 | 176 | 74.3 | 0 | 0 | 0 | 113.2 | F1442 I1697 K1723 L1729 R1730 F1731 | F1442-L1727 HydrophobicContact CB-CD1 4.33Å; F1442-L1727 HydrophobicContact CD1-CD1 3.9Å; F1442-L1727 HydrophobicContact CD2-CD1 4.17Å; F1442-L1727 HydrophobicContact CE1-CD1 4.18Å; F1442-L1727 HydrophobicContact CE2-CB 4.15Å; F1442-L1727 HydrophobicContact CE2-CD1 4.42Å; F1442-L1727 HydrophobicContact CG-CD1 3.9Å; F1442-L1727 HydrophobicContact CZ-CB 4.24Å; F1442-L1727 HydrophobicContact CZ-CD1 4.43Å; I1697-L1727 HydrophobicContact CD1-CD2 3.75Å; I1697-L1727 HydrophobicContact CG1-CD2 3.89Å; I1697-L1727 HydrophobicContact CG2-CD2 4Å; K1723-L1727 PolarHBondContact O-N 3.43Å; L1727-L1729 PolarHBondContact O-N 3.01Å; L1727-R1730 PolarHBondContact O-N 3.26Å; L1727-F1731 HydrophobicContact CD1-CB 3.88Å; L1727-F1731 HydrophobicContact CD1-CD1 3.93Å; L1727-F1731 HydrophobicContact CD1-CG 4.11Å; L1727-F1731 WeakPolarHBondContact O-CB 3.5Å; L1727-F1731 PolarHBondContact O-N 2.04Å |
| 1728 | P | 89.6 | Confident | 89.9 | Confident | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | I | π-helix | trans | -52.3 | -50.6 | -176.6 | -29.4 | 36.1 | 0 | 0 | 0 | 115.5 | F1684 K1723 S1724 R1730 W1732 V1733 | F1684-P1728 HydrophobicContact CE1-CB 4.45Å; F1684-P1728 HydrophobicContact CE1-CG 4.07Å; K1723-P1728 WeakPolarHBondContact O-CD 3.39Å; S1724-P1728 WeakPolarHBondContact O-CD 3.36Å; P1728-R1730 VanDerWaalsContact C-N 3.27Å; P1728-R1730 PolarHBondContact O-N 2.94Å; P1728-W1732 PolarHBondContact O-N 3.03Å; P1728-V1733 WeakPolarHBondContact O-CG2 3.43Å; P1728-V1733 PolarHBondContact O-N 2.03Å |
| 1729 | L | 87.4 | Confident | 90 | Very high | 43 Ų | 43 | 18.3 Ų | 18.3 | 23% | 0.225 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -77.8 | -12 | -174.6 | -58.7 | 176.5 | 0 | 0 | 0 | 113.5 | S1724 N1725 L1727 V1733 M1763 C1766 | S1724-L1729 WeakPolarHBondContact O-CB 3.3Å; S1724-L1729 WeakPolarHBondContact O-CG 3.44Å; S1724-L1729 PolarHBondContact O-N 3.21Å; N1725-L1729 WeakPolarHBondContact OD1-CD1 3.36Å; L1727-L1729 PolarHBondContact O-N 3.01Å; L1729-V1733 HydrophobicContact CD2-CG2 4.37Å; L1729-M1763 HydrophobicContact CD2-CB 4.01Å; L1729-M1763 HydrophobicContact CD2-CG 3.61Å; L1729-C1766 HydrophobicContact CD2-CB 4.36Å |
| 1730 | R | 86.4 | Confident | 90 | Very high | 76 Ų | 76 | 18.4 Ų | 18.4 | 29% | 0.287 | 9% | 0.09 | S | C | . | . | I | π-helix | trans | -109.5 | -45.8 | -174.1 | -85.3 | -77.4 | 159.5 | -156.8 | -9.3 | 113.6 | F1427 R1428 R1429 S1430 N1725 S1726 L1727 P1728 N1734 | F1427-R1730 PolarHBondContact O-NE 2.99Å; R1428-R1730 PolarHBondContact O-NH2 3.13Å; R1429-R1730 VanDerWaalsContact CA-NH2 3.25Å; S1430-R1730 PolarHBondContact OG-NH1 3.24Å; N1725-R1730 WeakPolarHBondContact O-CG 3.42Å; S1726-R1730 WeakPolarHBondContact O-CB 3.35Å; L1727-R1730 PolarHBondContact O-N 3.26Å; P1728-R1730 VanDerWaalsContact C-N 3.27Å; P1728-R1730 PolarHBondContact O-N 2.94Å; R1730-N1734 WeakPolarHBondContact O-CB 3.38Å |
| 1731 | F | 89.1 | Confident | 90 | Very high | 7 Ų | 7 | 17.7 Ų | 17.7 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -92.6 | -65.4 | -178.7 | -179.6 | -106.5 | 0 | 0 | 0 | 109.9 | M1446 L1450 L1727 V1733 N1734 L1735 | M1446-F1731 HydrophobicContact CB-CE1 3.88Å; M1446-F1731 HydrophobicContact CB-CE2 4.05Å; M1446-F1731 HydrophobicContact CB-CZ 3.39Å; M1446-F1731 HydrophobicContact CE-CE1 4.03Å; M1446-F1731 HydrophobicContact CG-CE1 4.05Å; M1446-F1731 HydrophobicContact CG-CE2 4.46Å; M1446-F1731 HydrophobicContact CG-CZ 3.94Å; L1450-F1731 HydrophobicContact CD1-CZ 4.01Å; L1450-F1731 HydrophobicContact CD2-CZ 4.37Å; L1450-F1731 HydrophobicContact CG-CZ 4.3Å; L1727-F1731 HydrophobicContact CD1-CB 3.88Å; L1727-F1731 HydrophobicContact CD1-CD1 3.93Å; L1727-F1731 HydrophobicContact CD1-CG 4.11Å; L1727-F1731 WeakPolarHBondContact O-CB 3.5Å; L1727-F1731 PolarHBondContact O-N 2.04Å; F1731-V1733 PolarHBondContact O-N 2.95Å; F1731-N1734 WeakPolarHBondContact O-CB 3.32Å; F1731-N1734 PolarHBondContact O-N 2.77Å; F1731-N1734 VanDerWaalsContact O-N 3.1Å; F1731-L1735 HydrophobicContact CD1-CD1 4.32Å; F1731-L1735 HydrophobicContact CD2-CD1 4.33Å; F1731-L1735 HydrophobicContact CE1-CD1 3.79Å; F1731-L1735 HydrophobicContact CE2-CD1 3.79Å; F1731-L1735 HydrophobicContact CZ-CD1 3.49Å; F1731-L1735 VanDerWaalsContact CZ-CD1 3.49Å; F1731-L1735 PolarHBondContact O-N 2.96Å; F1731-L1735 VanDerWaalsContact O-N 3.11Å |
| 1732 | W | 92 | Very high | 90 | Very high | 4 Ų | 4 | 17 Ų | 17 | 2% | 0.015 | 8% | 0.08 | C | C | . | . | I | π-helix | trans | -63.5 | -47.4 | -172.6 | -67.7 | 122.5 | 0 | 0 | 0 | 113.6 | M1446 Y1449 L1450 A1454 I1683 P1728 N1734 L1735 I1736 L1762 | M1446-W1732 HydrophobicContact CE-CH2 4.27Å; M1446-W1732 HydrophobicContact CE-CZ2 3.61Å; Y1449-W1732 HydrophobicContact CD1-CH2 4.03Å; Y1449-W1732 HydrophobicContact CD1-CZ2 4.1Å; Y1449-W1732 HydrophobicContact CE1-CH2 4.04Å; Y1449-W1732 AromaticContact CE1-CZ2 3.89Å; Y1449-W1732 HydrophobicContact CE1-CZ2 3.89Å; L1450-W1732 HydrophobicContact CD2-CH2 3.79Å; L1450-W1732 HydrophobicContact CD2-CZ3 3.58Å; A1454-W1732 HydrophobicContact CB-CH2 3.41Å; A1454-W1732 VanDerWaalsContact CB-CH2 3.41Å; A1454-W1732 HydrophobicContact CB-CZ2 4.4Å; A1454-W1732 HydrophobicContact CB-CZ3 3.84Å; I1683-W1732 HydrophobicContact CD1-CB 4.14Å; I1683-W1732 HydrophobicContact CD1-CD2 3.91Å; I1683-W1732 HydrophobicContact CD1-CE3 3.91Å; I1683-W1732 HydrophobicContact CD1-CG 4.03Å; I1683-W1732 HydrophobicContact CG1-CD2 3.69Å; I1683-W1732 HydrophobicContact CG1-CE3 3.85Å; I1683-W1732 HydrophobicContact CG1-CG 4.09Å; I1683-W1732 HydrophobicContact CG1-CH2 4.43Å; I1683-W1732 HydrophobicContact CG1-CZ2 4.26Å; I1683-W1732 HydrophobicContact CG1-CZ3 4.22Å; I1683-W1732 HydrophobicContact CG2-CD2 4.29Å; I1683-W1732 HydrophobicContact CG2-CG 3.96Å; P1728-W1732 PolarHBondContact O-N 3.03Å; W1732-N1734 PolarHBondContact O-N 2.96Å; W1732-N1734 VanDerWaalsContact O-N 3.17Å; W1732-L1735 HydrophobicContact CE3-CD1 4.46Å; W1732-L1735 HydrophobicContact CZ3-CD1 4.46Å; W1732-L1735 PolarHBondContact O-N 3.28Å; W1732-I1736 WeakPolarHBondContact O-CG1 3.45Å; W1732-I1736 PolarHBondContact O-N 3.37Å; W1732-L1762 HydrophobicContact CB-CD2 3.84Å |
| 1733 | V | 90.9 | Very high | 90 | Very high | 13 Ų | 13 | 17 Ų | 17 | 8% | 0.079 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -57.1 | -31.5 | 175.1 | 166.3 | 0 | 0 | 0 | 0 | 112.7 | P1728 L1729 F1731 K1737 A1759 L1762 M1763 | P1728-V1733 WeakPolarHBondContact O-CG2 3.43Å; P1728-V1733 PolarHBondContact O-N 2.03Å; L1729-V1733 HydrophobicContact CD2-CG2 4.37Å; F1731-V1733 PolarHBondContact O-N 2.95Å; V1733-K1737 WeakPolarHBondContact O-CG 3.44Å; V1733-K1737 PolarHBondContact O-N 2.02Å; V1733-A1759 HydrophobicContact CG1-CB 4.41Å; V1733-L1762 HydrophobicContact CG2-CD2 3.85Å; V1733-L1762 HydrophobicContact CG2-CG 4.29Å; V1733-M1763 HydrophobicContact CG1-CE 3.99Å; V1733-M1763 HydrophobicContact CG1-CG 4.39Å; V1733-M1763 HydrophobicContact CG1-SD 4.18Å; V1733-M1763 HydrophobicContact CG2-CG 3.68Å; V1733-M1763 HydrophobicContact CG2-SD 4.5Å |
| 1734 | N | 88.4 | Confident | 89.8 | Confident | 52 Ų | 52 | 18.1 Ų | 18.1 | 28% | 0.278 | 9% | 0.087 | S | C | . | . | H | α-helix | trans | -75.5 | -43.2 | 178.7 | -172.5 | 39.5 | 0 | 0 | 0 | 111.9 | R1730 F1731 W1732 N1738 | R1730-N1734 WeakPolarHBondContact O-CB 3.38Å; F1731-N1734 WeakPolarHBondContact O-CB 3.32Å; F1731-N1734 PolarHBondContact O-N 2.77Å; F1731-N1734 VanDerWaalsContact O-N 3.1Å; W1732-N1734 PolarHBondContact O-N 2.96Å; W1732-N1734 VanDerWaalsContact O-N 3.17Å; N1734-N1738 WeakPolarHBondContact O-CB 3.3Å; N1734-N1738 PolarHBondContact O-N 3.33Å; N1734-N1738 VanDerWaalsContact O-N 3.08Å; N1734-N1738 PolarHBondContact O-ND2 3.44Å; N1734-N1738 PolarHBondContact OD1-ND2 2.84Å |
| 1735 | L | 91.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -69.4 | -38.3 | 178.1 | -61.7 | -175.3 | 0 | 0 | 0 | 112.5 | V1325 L1450 L1458 F1731 W1732 K1737 N1738 P1739 F1741 V1742 | V1325-L1735 HydrophobicContact CG2-CD2 4.09Å; L1450-L1735 HydrophobicContact CD1-CD1 3.8Å; L1450-L1735 HydrophobicContact CD2-CD1 3.81Å; L1450-L1735 HydrophobicContact CG-CD1 4.44Å; L1458-L1735 HydrophobicContact CD2-CB 4.29Å; F1731-L1735 HydrophobicContact CD1-CD1 4.32Å; F1731-L1735 HydrophobicContact CD2-CD1 4.33Å; F1731-L1735 HydrophobicContact CE1-CD1 3.79Å; F1731-L1735 HydrophobicContact CE2-CD1 3.79Å; F1731-L1735 HydrophobicContact CZ-CD1 3.49Å; F1731-L1735 VanDerWaalsContact CZ-CD1 3.49Å; F1731-L1735 PolarHBondContact O-N 2.96Å; F1731-L1735 VanDerWaalsContact O-N 3.11Å; W1732-L1735 HydrophobicContact CE3-CD1 4.46Å; W1732-L1735 HydrophobicContact CZ3-CD1 4.46Å; W1732-L1735 PolarHBondContact O-N 3.28Å; L1735-K1737 VanDerWaalsContact C-N 3.32Å; L1735-K1737 PolarHBondContact O-N 3.47Å; L1735-N1738 CarbonylContact O-C 3.6Å; L1735-N1738 PolarHBondContact O-N 3.4Å; L1735-N1738 VanDerWaalsContact O-N 3.15Å; L1735-P1739 VanDerWaalsContact O-N 3.1Å; L1735-F1741 HydrophobicContact CD2-CB 4.31Å; L1735-V1742 HydrophobicContact CD1-CG2 4.27Å; L1735-V1742 HydrophobicContact CD2-CG2 3.9Å; L1735-V1742 HydrophobicContact CG-CG2 4.5Å |
| 1736 | I | 92.2 | Very high | 89.1 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 176.1 | -68 | 173.8 | 0 | 0 | 0 | 111.3 | L1458 L1679 I1683 W1732 N1738 V1758 A1759 L1762 | L1458-I1736 HydrophobicContact CD1-CG1 4.1Å; L1679-I1736 HydrophobicContact CD2-CD1 4.01Å; L1679-I1736 HydrophobicContact CD2-CG1 3.97Å; I1683-I1736 HydrophobicContact CD1-CD1 4.13Å; W1732-I1736 WeakPolarHBondContact O-CG1 3.45Å; W1732-I1736 PolarHBondContact O-N 3.37Å; I1736-N1738 VanDerWaalsContact C-N 3.34Å; I1736-V1758 HydrophobicContact CG2-CB 4.3Å; I1736-V1758 HydrophobicContact CG2-CG1 4.21Å; I1736-A1759 HydrophobicContact CB-CB 4.36Å; I1736-A1759 HydrophobicContact CG2-CB 3.93Å; I1736-L1762 HydrophobicContact CD1-CD2 3.6Å |
| 1737 | K | 90.2 | Very high | 88.8 | Confident | 65 Ų | 65 | 28.9 Ų | 28.9 | 28% | 0.283 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -73.3 | -27.6 | 176.4 | -69.7 | -177.2 | 176.6 | -168.6 | 0 | 112.9 | V1733 L1735 P1739 A1759 | V1733-K1737 WeakPolarHBondContact O-CG 3.44Å; V1733-K1737 PolarHBondContact O-N 2.02Å; L1735-K1737 VanDerWaalsContact C-N 3.32Å; L1735-K1737 PolarHBondContact O-N 3.47Å; K1737-P1739 VanDerWaalsContact C-CD 3.48Å; K1737-A1759 HydrophobicContact CD-CB 4.16Å; K1737-A1759 VanDerWaalsContact CE-CB 3.45Å; K1737-A1759 HydrophobicContact CG-CB 3.68Å |
| 1738 | N | 89.7 | Confident | 88.3 | Confident | 31 Ų | 31 | 29.4 Ų | 29.4 | 17% | 0.166 | 14% | 0.138 | C | C | . | . | trans | -129.1 | 62.7 | -173.8 | -56.8 | -77.6 | 0 | 0 | 0 | 112.2 | N1734 L1735 I1736 H1740 F1741 | N1734-N1738 WeakPolarHBondContact O-CB 3.3Å; N1734-N1738 PolarHBondContact O-N 3.33Å; N1734-N1738 VanDerWaalsContact O-N 3.08Å; N1734-N1738 PolarHBondContact O-ND2 3.44Å; N1734-N1738 PolarHBondContact OD1-ND2 2.84Å; L1735-N1738 CarbonylContact O-C 3.6Å; L1735-N1738 PolarHBondContact O-N 3.4Å; L1735-N1738 VanDerWaalsContact O-N 3.15Å; I1736-N1738 VanDerWaalsContact C-N 3.34Å; N1738-H1740 PolarHBondContact O-N 3.09Å; N1738-H1740 VanDerWaalsContact O-N 3.09Å; N1738-H1740 PolarHBondContact OD1-CE1 3.46Å; N1738-F1741 HydrophobicContact CB-CD1 3.97Å; N1738-F1741 HydrophobicContact CB-CD2 3.5Å; N1738-F1741 HydrophobicContact CB-CE1 3.9Å; N1738-F1741 HydrophobicContact CB-CE2 3.41Å; N1738-F1741 VanDerWaalsContact CB-CE2 3.41Å; N1738-F1741 HydrophobicContact CB-CG 3.79Å; N1738-F1741 HydrophobicContact CB-CZ 3.62Å; N1738-F1741 WeakPolarHBondContact O-CB 3.29Å; N1738-F1741 WeakPolarHBondContact O-CG 3.49Å; N1738-F1741 PolarHBondContact O-N 3.15Å | ||
| 1739 | P | 91 | Very high | 88 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -60.1 | -23.8 | -179.7 | 22.7 | -34.8 | 0 | 0 | 0 | 113.3 | Y1462 L1735 K1737 F1741 V1742 F1743 I1745 P1748 L1755 | Y1462-P1739 HydrophobicContact CD2-CG 3.9Å; Y1462-P1739 HydrophobicContact CG-CG 4.35Å; L1735-P1739 VanDerWaalsContact O-N 3.1Å; K1737-P1739 VanDerWaalsContact C-CD 3.48Å; P1739-F1741 PolarHBondContact O-N 3.12Å; P1739-F1741 VanDerWaalsContact O-N 3.13Å; P1739-V1742 PolarHBondContact O-N 3.3Å; P1739-F1743 HydrophobicContact CB-CD2 4.08Å; P1739-F1743 HydrophobicContact CB-CE2 4.09Å; P1739-F1743 WeakPolarHBondContact O-CD2 3.02Å; P1739-F1743 PolarHBondContact O-N 2.71Å; P1739-F1743 VanDerWaalsContact O-N 3.09Å; P1739-I1745 HydrophobicContact CB-CD1 4.01Å; P1739-I1745 HydrophobicContact CG-CD1 4.13Å; P1739-P1748 HydrophobicContact CG-CG 4.07Å; P1739-L1755 HydrophobicContact CG-CD1 3.88Å |
| 1740 | H | 88.5 | Confident | 87.7 | Confident | 24 Ų | 24 | 32.1 Ų | 32.1 | 11% | 0.111 | 15% | 0.153 | C | C | . | . | G | 310 helix | trans | -62.3 | -11.9 | 171.8 | 70 | -74.4 | 0 | 0 | 0 | 114.5 | L1316 Q1324 N1738 V1742 I1745 P1748 | L1316-H1740 VanDerWaalsContact CD1-O 3.26Å; L1316-H1740 WeakPolarHBondContact CD1-O 3.29Å; Q1324-H1740 PolarHBondContact NE2-O 2.75Å; Q1324-H1740 PolarHBondContact OE1-O 2.82Å; Q1324-H1740 VanDerWaalsContact OE1-O 3.06Å; N1738-H1740 PolarHBondContact O-N 3.09Å; N1738-H1740 VanDerWaalsContact O-N 3.09Å; N1738-H1740 PolarHBondContact OD1-CE1 3.46Å; H1740-V1742 VanDerWaalsContact C-N 3.27Å; H1740-I1745 HydrophobicContact CB-CD1 4.43Å; H1740-I1745 HydrophobicContact CB-CG1 3.95Å; H1740-P1748 WeakPolarHBondContact ND1-CD 3.41Å |
| 1741 | F | 89.7 | Confident | 87.7 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 6% | 0.057 | 14% | 0.141 | C | C | . | . | G | 310 helix | trans | -74.1 | -17.8 | 169.1 | -64.2 | -8.8 | 0 | 0 | 0 | 112.5 | Y1321 Q1324 V1325 P1328 L1735 N1738 P1739 | Y1321-F1741 WeakPolarHBondContact CA-O 3.19Å; Y1321-F1741 WeakPolarHBondContact CD2-O 3.45Å; Q1324-F1741 HydrophobicContact CB-CB 4.28Å; Q1324-F1741 HydrophobicContact CB-CD1 3.92Å; Q1324-F1741 HydrophobicContact CB-CG 4.24Å; V1325-F1741 HydrophobicContact CG2-CB 3.99Å; V1325-F1741 HydrophobicContact CG2-CD2 4.13Å; V1325-F1741 HydrophobicContact CG2-CG 4.37Å; P1328-F1741 HydrophobicContact CB-CE1 4.44Å; P1328-F1741 HydrophobicContact CB-CE2 4.43Å; P1328-F1741 HydrophobicContact CB-CZ 3.81Å; L1735-F1741 HydrophobicContact CD2-CB 4.31Å; N1738-F1741 HydrophobicContact CB-CD1 3.97Å; N1738-F1741 HydrophobicContact CB-CD2 3.5Å; N1738-F1741 HydrophobicContact CB-CE1 3.9Å; N1738-F1741 HydrophobicContact CB-CE2 3.41Å; N1738-F1741 VanDerWaalsContact CB-CE2 3.41Å; N1738-F1741 HydrophobicContact CB-CG 3.79Å; N1738-F1741 HydrophobicContact CB-CZ 3.62Å; N1738-F1741 WeakPolarHBondContact O-CB 3.29Å; N1738-F1741 WeakPolarHBondContact O-CG 3.49Å; N1738-F1741 PolarHBondContact O-N 3.15Å; P1739-F1741 PolarHBondContact O-N 3.12Å; P1739-F1741 VanDerWaalsContact O-N 3.13Å |
| 1742 | V | 89.5 | Confident | 87.5 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.006 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.6 | -29.2 | -177.4 | -173 | 0 | 0 | 0 | 0 | 112.2 | F1315 L1316 Y1321 L1450 L1458 L1735 P1739 H1740 | F1315-V1742 HydrophobicContact CD1-CG1 3.92Å; F1315-V1742 HydrophobicContact CE1-CG1 4.07Å; L1316-V1742 PolarHBondContact N-O 3.09Å; Y1321-V1742 HydrophobicContact CD2-CG2 4.23Å; Y1321-V1742 HydrophobicContact CE2-CG2 4.29Å; L1450-V1742 HydrophobicContact CB-CG1 4.42Å; L1450-V1742 HydrophobicContact CD1-CG1 4.39Å; L1450-V1742 HydrophobicContact CD1-CG2 4.17Å; L1458-V1742 HydrophobicContact CD2-CG2 4.37Å; L1735-V1742 HydrophobicContact CD1-CG2 4.27Å; L1735-V1742 HydrophobicContact CD2-CG2 3.9Å; L1735-V1742 HydrophobicContact CG-CG2 4.5Å; P1739-V1742 PolarHBondContact O-N 3.3Å; H1740-V1742 VanDerWaalsContact C-N 3.27Å |
| 1743 | F | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -124 | 148 | -176.4 | -39.5 | -73.2 | 0 | 0 | 0 | 112.6 | I1313 P1314 F1315 G1455 L1458 F1459 P1739 I1745 | I1313-F1743 HydrophobicContact CG2-CD1 3.68Å; I1313-F1743 HydrophobicContact CG2-CE1 3.82Å; P1314-F1743 CarbonylContact O-C 3.58Å; P1314-F1743 VanDerWaalsContact O-CA 3.24Å; P1314-F1743 WeakPolarHBondContact O-CA 3.49Å; P1314-F1743 WeakPolarHBondContact O-CB 3.42Å; F1315-F1743 AromaticContact CD1-CD1 3.87Å; F1315-F1743 HydrophobicContact CD1-CD1 3.87Å; F1315-F1743 AromaticContact CD1-CE1 3.72Å; F1315-F1743 HydrophobicContact CD1-CE1 3.72Å; F1315-F1743 HydrophobicContact CE1-CD1 4.13Å; F1315-F1743 AromaticContact CE1-CE1 3.5Å; F1315-F1743 HydrophobicContact CE1-CE1 3.5Å; F1315-F1743 HydrophobicContact CE1-CZ 4.48Å; F1315-F1743 HydrophobicContact CG-CD1 4.34Å; F1315-F1743 HydrophobicContact CG-CE1 4.49Å; F1315-F1743 HydrophobicContact CZ-CE1 4.1Å; G1455-F1743 WeakPolarHBondContact O-CZ 3.36Å; L1458-F1743 HydrophobicContact CB-CE2 4.41Å; L1458-F1743 HydrophobicContact CB-CZ 4.2Å; L1458-F1743 HydrophobicContact CD2-CE2 3.98Å; L1458-F1743 HydrophobicContact CD2-CZ 4.15Å; L1458-F1743 HydrophobicContact CG-CE2 3.95Å; L1458-F1743 HydrophobicContact CG-CZ 4.19Å; F1459-F1743 HydrophobicContact CB-CD1 4.4Å; F1459-F1743 HydrophobicContact CB-CE1 3.87Å; F1459-F1743 HydrophobicContact CB-CE2 4.07Å; F1459-F1743 HydrophobicContact CB-CZ 3.71Å; F1459-F1743 HydrophobicContact CD2-CB 4.27Å; F1459-F1743 AromaticContact CD2-CD1 3.89Å; F1459-F1743 HydrophobicContact CD2-CD1 3.89Å; F1459-F1743 AromaticContact CD2-CD2 3.93Å; F1459-F1743 HydrophobicContact CD2-CD2 3.93Å; F1459-F1743 HydrophobicContact CD2-CE1 4.21Å; F1459-F1743 HydrophobicContact CD2-CE2 4.28Å; F1459-F1743 AromaticContact CD2-CG 3.75Å; F1459-F1743 HydrophobicContact CD2-CG 3.75Å; F1459-F1743 HydrophobicContact CD2-CZ 4.42Å; F1459-F1743 HydrophobicContact CE2-CG 4.44Å; F1459-F1743 HydrophobicContact CG-CE1 4.45Å; P1739-F1743 HydrophobicContact CB-CD2 4.08Å; P1739-F1743 HydrophobicContact CB-CE2 4.09Å; P1739-F1743 WeakPolarHBondContact O-CD2 3.02Å; P1739-F1743 PolarHBondContact O-N 2.71Å; P1739-F1743 VanDerWaalsContact O-N 3.09Å; F1743-I1745 HydrophobicContact CB-CD1 4.37Å; F1743-I1745 HydrophobicContact CB-CG1 4.13Å; F1743-I1745 HydrophobicContact CB-CG2 3.92Å; F1743-I1745 HydrophobicContact CD2-CD1 4.26Å; F1743-I1745 PolarHBondContact O-N 3.39Å |
| 1744 | D | 87.8 | Confident | 86.9 | Confident | 34 Ų | 34 | 32.8 Ų | 32.8 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -76.6 | 74.5 | 170.3 | -178.4 | 13.8 | 0 | 0 | 0 | 110.2 | P1314 L1316 P1540 C1541 S1542 | P1314-D1744 PolarHBondContact O-N 2.73Å; L1316-D1744 HydrophobicContact CD2-CB 4.01Å; P1540-D1744 HydrophobicContact CB-CB 4.07Å; P1540-D1744 WeakPolarHBondContact CB-OD2 3.35Å; C1541-D1744 VanDerWaalsContact CB-O 3.26Å; C1541-D1744 WeakPolarHBondContact CB-O 3.22Å; C1541-D1744 WeakPolarHBondContact CB-OD1 3.45Å; C1541-D1744 PolarHBondContact N-O 2.76Å; C1541-D1744 PolarHBondContact N-OD2 2.99Å; S1542-D1744 WeakPolarHBondContact CB-OD2 3.32Å; S1542-D1744 PolarHBondContact N-OD1 3.06Å; S1542-D1744 VanDerWaalsContact N-OD1 3.08Å; S1542-D1744 PolarHBondContact N-OD2 2.93Å; S1542-D1744 PolarHBondContact OG-OD2 2.88Å |
| 1745 | I | 85.7 | Confident | 86.9 | Confident | 21 Ų | 21 | 30.3 Ų | 30.3 | 11% | 0.108 | 15% | 0.15 | C | C | . | . | trans | -124.9 | 156.4 | 179.5 | 58.3 | 171.8 | 0 | 0 | 0 | 110.4 | F1459 Y1462 P1739 H1740 F1743 | F1459-I1745 HydrophobicContact CE2-CG2 3.97Å; Y1462-I1745 HydrophobicContact CD1-CD1 3.85Å; Y1462-I1745 HydrophobicContact CD2-CD1 3.9Å; Y1462-I1745 HydrophobicContact CE1-CB 4.16Å; Y1462-I1745 HydrophobicContact CE1-CD1 3.65Å; Y1462-I1745 HydrophobicContact CE1-CG2 3.9Å; Y1462-I1745 HydrophobicContact CE2-CD1 3.74Å; Y1462-I1745 HydrophobicContact CG-CD1 3.98Å; P1739-I1745 HydrophobicContact CB-CD1 4.01Å; P1739-I1745 HydrophobicContact CG-CD1 4.13Å; H1740-I1745 HydrophobicContact CB-CD1 4.43Å; H1740-I1745 HydrophobicContact CB-CG1 3.95Å; F1743-I1745 HydrophobicContact CB-CD1 4.37Å; F1743-I1745 HydrophobicContact CB-CG1 4.13Å; F1743-I1745 HydrophobicContact CB-CG2 3.92Å; F1743-I1745 HydrophobicContact CD2-CD1 4.26Å; F1743-I1745 PolarHBondContact O-N 3.39Å | ||
| 1746 | P | 81.5 | Confident | 86.8 | Confident | 58 Ų | 58 | 32.1 Ų | 32.1 | 38% | 0.377 | 16% | 0.163 | S | C | . | . | trans | -54.9 | 146 | 169 | -20.4 | 30.4 | 0 | 0 | 0 | 111.3 | ||||
| 1747 | R | 82.2 | Confident | 86.5 | Confident | 160 Ų | 160 | 32.7 Ų | 32.7 | 60% | 0.604 | 17% | 0.166 | S | C | * | . | trans | -57.4 | 126 | 173.9 | -172.7 | 176.2 | 177.7 | -167 | -3.9 | 109.2 | T1749 | R1747-T1749 HydrophobicContact CG-CG2 4.27Å; R1747-T1749 PolarHBondContact O-N 2.84Å | ||
| 1748 | P | 81.3 | Confident | 86.5 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 7% | 0.071 | 15% | 0.153 | C | C | . | . | trans | -80.6 | 41.2 | -162.3 | 34.1 | -40.2 | 0 | 0 | 0 | 114.4 | Y1462 P1739 H1740 K1750 I1751 E1752 L1755 | Y1462-P1748 HydrophobicContact CD2-CB 4.34Å; Y1462-P1748 HydrophobicContact CE2-CB 3.94Å; P1739-P1748 HydrophobicContact CG-CG 4.07Å; H1740-P1748 WeakPolarHBondContact ND1-CD 3.41Å; P1748-K1750 VanDerWaalsContact C-N 3.26Å; P1748-K1750 PolarHBondContact O-N 3.4Å; P1748-I1751 HydrophobicContact CB-CD1 4.32Å; P1748-I1751 HydrophobicContact CB-CG1 3.83Å; P1748-I1751 CarbonylContact O-C 3.5Å; P1748-I1751 PolarHBondContact O-N 3.04Å; P1748-E1752 PolarHBondContact O-N 3.16Å; P1748-L1755 HydrophobicContact CB-CD1 3.94Å; P1748-L1755 HydrophobicContact CG-CD1 3.96Å | ||
| 1749 | T | 82 | Confident | 86.5 | Confident | 58 Ų | 58 | 28.1 Ų | 28.1 | 36% | 0.356 | 15% | 0.145 | S | C | . | . | G | 310 helix | trans | -54.6 | -39.8 | -174.6 | 54.4 | 0 | 0 | 0 | 0 | 113 | R1747 I1751 | R1747-T1749 HydrophobicContact CG-CG2 4.27Å; R1747-T1749 PolarHBondContact O-N 2.84Å; T1749-I1751 PolarHBondContact O-N 3.11Å |
| 1750 | K | 82 | Confident | 86.3 | Confident | 43 Ų | 43 | 31.5 Ų | 31.5 | 19% | 0.187 | 16% | 0.161 | C | C | . | . | G | 310 helix | trans | -57.8 | -24.9 | 175.9 | -73 | -177 | 174.5 | -163.1 | 0 | 114.9 | Y1479 E1529 P1748 | Y1479-K1750 HydrophobicContact CD1-CG 4.16Å; E1529-K1750 IonicContact OE1-NZ 2.65Å; E1529-K1750 IonicContact OE2-NZ 2.68Å; E1529-K1750 PolarHBondContact OE2-NZ 2.83Å; P1748-K1750 VanDerWaalsContact C-N 3.26Å; P1748-K1750 PolarHBondContact O-N 3.4Å |
| 1751 | I | 87.1 | Confident | 86.3 | Confident | 6 Ų | 6 | 30.6 Ų | 30.6 | 3% | 0.031 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -130.5 | 7.7 | -172.8 | 67.7 | 170.5 | 0 | 0 | 0 | 113.6 | Y1462 I1465 K1466 V1469 P1748 T1749 G1753 C1754 L1755 | Y1462-I1751 HydrophobicContact CD2-CD1 3.64Å; Y1462-I1751 HydrophobicContact CE2-CD1 3.74Å; I1465-I1751 HydrophobicContact CB-CD1 4.17Å; I1465-I1751 HydrophobicContact CG2-CB 3.7Å; I1465-I1751 HydrophobicContact CG2-CD1 3.79Å; I1465-I1751 HydrophobicContact CG2-CG1 4.27Å; I1465-I1751 HydrophobicContact CG2-CG2 4.03Å; K1466-I1751 HydrophobicContact CB-CD1 4.27Å; V1469-I1751 HydrophobicContact CB-CG2 3.99Å; V1469-I1751 HydrophobicContact CG1-CG2 4.08Å; V1469-I1751 HydrophobicContact CG2-CG2 3.92Å; P1748-I1751 HydrophobicContact CB-CD1 4.32Å; P1748-I1751 HydrophobicContact CB-CG1 3.83Å; P1748-I1751 CarbonylContact O-C 3.5Å; P1748-I1751 PolarHBondContact O-N 3.04Å; T1749-I1751 PolarHBondContact O-N 3.11Å; I1751-G1753 PolarHBondContact O-N 2.85Å; I1751-C1754 WeakPolarHBondContact O-CB 3.5Å; I1751-C1754 PolarHBondContact O-N 3.08Å; I1751-L1755 HydrophobicContact CD1-CD1 4.21Å; I1751-L1755 HydrophobicContact CD1-CG 4.47Å; I1751-L1755 HydrophobicContact CG1-CD1 4.04Å; I1751-L1755 HydrophobicContact CG1-CG 4.4Å; I1751-L1755 PolarHBondContact O-N 2.61Å |
| 1752 | E | 85.3 | Confident | 86.4 | Confident | 90 Ų | 90 | 30 Ų | 30 | 42% | 0.421 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -55.4 | -34.2 | 179.4 | -177.5 | 175.9 | 175.8 | 0 | 0 | 112.1 | P1748 S1756 | P1748-E1752 PolarHBondContact O-N 3.16Å; E1752-S1756 WeakPolarHBondContact O-CB 3.49Å; E1752-S1756 PolarHBondContact O-N 2.79Å; E1752-S1756 PolarHBondContact O-OG 2.99Å |
| 1753 | G | 83 | Confident | 86.4 | Confident | 17 Ų | 17 | 32.3 Ų | 32.3 | 18% | 0.175 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.2 | -48 | 172 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1751 S1756 V1757 | I1751-G1753 PolarHBondContact O-N 2.85Å; G1753-S1756 PolarHBondContact O-N 3.46Å; G1753-V1757 WeakPolarHBondContact O-CG2 3.46Å; G1753-V1757 PolarHBondContact O-N 3.12Å; G1753-V1757 VanDerWaalsContact O-N 3.13Å |
| 1754 | C | 86.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.5 | -47.6 | 178.7 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | I1465 L1485 I1751 S1756 V1757 V1758 | I1465-C1754 HydrophobicContact CD1-CB 4.33Å; I1465-C1754 HydrophobicContact CG2-CB 3.38Å; L1485-C1754 HydrophobicContact CB-CB 4.12Å; L1485-C1754 HydrophobicContact CD1-CB 4.26Å; L1485-C1754 HydrophobicContact CG-CB 4.45Å; L1485-C1754 PolarHBondContact N-SG 2.86Å; I1751-C1754 WeakPolarHBondContact O-CB 3.5Å; I1751-C1754 PolarHBondContact O-N 3.08Å; C1754-S1756 PolarHBondContact O-N 2.99Å; C1754-V1757 PolarHBondContact O-N 2.82Å; C1754-V1757 VanDerWaalsContact O-N 3.11Å; C1754-V1758 PolarHBondContact O-N 3.36Å; C1754-V1758 VanDerWaalsContact O-N 3.15Å |
| 1755 | L | 89.3 | Confident | 86.2 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.9 | -34.8 | 176.5 | -67.2 | 171.7 | 0 | 0 | 0 | 111.7 | I1465 P1739 P1748 I1751 V1758 A1759 | I1465-L1755 HydrophobicContact CD1-CD2 3.64Å; I1465-L1755 HydrophobicContact CD1-CG 4.32Å; P1739-L1755 HydrophobicContact CG-CD1 3.88Å; P1748-L1755 HydrophobicContact CB-CD1 3.94Å; P1748-L1755 HydrophobicContact CG-CD1 3.96Å; I1751-L1755 HydrophobicContact CD1-CD1 4.21Å; I1751-L1755 HydrophobicContact CD1-CG 4.47Å; I1751-L1755 HydrophobicContact CG1-CD1 4.04Å; I1751-L1755 HydrophobicContact CG1-CG 4.4Å; I1751-L1755 PolarHBondContact O-N 2.61Å; L1755-V1758 PolarHBondContact O-N 2.04Å; L1755-A1759 WeakPolarHBondContact O-CB 3.44Å; L1755-A1759 PolarHBondContact O-N 2.92Å |
| 1756 | S | 88.9 | Confident | 86.4 | Confident | 39 Ų | 39 | 31 Ų | 31 | 27% | 0.273 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -68.4 | -32.6 | 175.2 | -67.9 | 0 | 0 | 0 | 0 | 113.6 | E1752 G1753 C1754 Q1760 | E1752-S1756 WeakPolarHBondContact O-CB 3.49Å; E1752-S1756 PolarHBondContact O-N 2.79Å; E1752-S1756 PolarHBondContact O-OG 2.99Å; G1753-S1756 PolarHBondContact O-N 3.46Å; C1754-S1756 PolarHBondContact O-N 2.99Å; S1756-Q1760 WeakPolarHBondContact O-CB 3.47Å; S1756-Q1760 PolarHBondContact O-N 3.16Å |
| 1757 | V | 86 | Confident | 86.6 | Confident | 12 Ų | 12 | 30.4 Ų | 30.4 | 7% | 0.073 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.9 | -44.2 | 173.2 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | G1753 C1754 A1759 Q1760 T1761 F1784 | G1753-V1757 WeakPolarHBondContact O-CG2 3.46Å; G1753-V1757 PolarHBondContact O-N 3.12Å; G1753-V1757 VanDerWaalsContact O-N 3.13Å; C1754-V1757 PolarHBondContact O-N 2.82Å; C1754-V1757 VanDerWaalsContact O-N 3.11Å; V1757-A1759 VanDerWaalsContact C-N 3.35Å; V1757-A1759 PolarHBondContact O-N 2.91Å; V1757-Q1760 PolarHBondContact O-N 3.21Å; V1757-Q1760 VanDerWaalsContact O-N 3.16Å; V1757-T1761 PolarHBondContact O-N 2.76Å; V1757-T1761 PolarHBondContact O-OG1 2.98Å; V1757-F1784 HydrophobicContact CG1-CD2 4.22Å; V1757-F1784 HydrophobicContact CG1-CE2 3.97Å |
| 1758 | V | 89.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.7 | -44.4 | 175 | -179.4 | 0 | 0 | 0 | 0 | 110.9 | L1461 I1465 L1485 V1676 F1680 I1736 C1754 L1755 Q1760 T1761 L1762 | L1461-V1758 HydrophobicContact CD2-CG1 3.97Å; I1465-V1758 HydrophobicContact CD1-CG2 4.4Å; L1485-V1758 HydrophobicContact CD1-CG2 4.46Å; V1676-V1758 HydrophobicContact CG1-CG1 4.05Å; V1676-V1758 HydrophobicContact CG2-CB 4.5Å; V1676-V1758 HydrophobicContact CG2-CG1 3.93Å; V1676-V1758 HydrophobicContact CG2-CG2 3.75Å; F1680-V1758 HydrophobicContact CE1-CG1 4.01Å; F1680-V1758 HydrophobicContact CZ-CG1 4.38Å; I1736-V1758 HydrophobicContact CG2-CB 4.3Å; I1736-V1758 HydrophobicContact CG2-CG1 4.21Å; C1754-V1758 PolarHBondContact O-N 3.36Å; C1754-V1758 VanDerWaalsContact O-N 3.15Å; L1755-V1758 PolarHBondContact O-N 2.04Å; V1758-Q1760 VanDerWaalsContact C-N 3.31Å; V1758-Q1760 PolarHBondContact O-N 3.2Å; V1758-T1761 WeakPolarHBondContact O-CB 3.44Å; V1758-T1761 PolarHBondContact O-N 3.37Å; V1758-T1761 VanDerWaalsContact O-N 3.13Å; V1758-L1762 PolarHBondContact O-N 3.29Å |
| 1759 | A | 90.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -33.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | V1733 I1736 K1737 L1755 V1757 L1762 M1763 | V1733-A1759 HydrophobicContact CG1-CB 4.41Å; I1736-A1759 HydrophobicContact CB-CB 4.36Å; I1736-A1759 HydrophobicContact CG2-CB 3.93Å; K1737-A1759 HydrophobicContact CD-CB 4.16Å; K1737-A1759 VanDerWaalsContact CE-CB 3.45Å; K1737-A1759 HydrophobicContact CG-CB 3.68Å; L1755-A1759 WeakPolarHBondContact O-CB 3.44Å; L1755-A1759 PolarHBondContact O-N 2.92Å; V1757-A1759 VanDerWaalsContact C-N 3.35Å; V1757-A1759 PolarHBondContact O-N 2.91Å; A1759-L1762 PolarHBondContact O-N 3.13Å; A1759-M1763 VanDerWaalsContact O-CG 3.32Å; A1759-M1763 WeakPolarHBondContact O-CG 3.46Å; A1759-M1763 PolarHBondContact O-N 2.85Å; A1759-M1763 VanDerWaalsContact O-N 3.08Å |
| 1760 | Q | 87.4 | Confident | 85.5 | Confident | 71 Ų | 71 | 34.1 Ų | 34.1 | 33% | 0.332 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -69.3 | -36 | 172.3 | -172.1 | 61.7 | 48.6 | 0 | 0 | 112 | S1756 V1757 V1758 L1762 M1763 D1764 | S1756-Q1760 WeakPolarHBondContact O-CB 3.47Å; S1756-Q1760 PolarHBondContact O-N 3.16Å; V1757-Q1760 PolarHBondContact O-N 3.21Å; V1757-Q1760 VanDerWaalsContact O-N 3.16Å; V1758-Q1760 VanDerWaalsContact C-N 3.31Å; V1758-Q1760 PolarHBondContact O-N 3.2Å; Q1760-L1762 VanDerWaalsContact C-N 3.33Å; Q1760-M1763 PolarHBondContact O-N 3.28Å; Q1760-D1764 PolarHBondContact NE2-OD1 2.96Å; Q1760-D1764 PolarHBondContact O-N 2.91Å |
| 1761 | T | 87.5 | Confident | 84.6 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 4% | 0.037 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.1 | -42.9 | 173.6 | -51.7 | 0 | 0 | 0 | 0 | 110.3 | F1680 V1757 V1758 M1763 D1764 S1765 F1784 I1788 Y1791 | F1680-T1761 HydrophobicContact CE2-CG2 4.09Å; F1680-T1761 HydrophobicContact CZ-CG2 4.27Å; V1757-T1761 PolarHBondContact O-N 2.76Å; V1757-T1761 PolarHBondContact O-OG1 2.98Å; V1758-T1761 WeakPolarHBondContact O-CB 3.44Å; V1758-T1761 PolarHBondContact O-N 3.37Å; V1758-T1761 VanDerWaalsContact O-N 3.13Å; T1761-M1763 VanDerWaalsContact C-N 3.34Å; T1761-M1763 PolarHBondContact O-N 2.83Å; T1761-D1764 PolarHBondContact O-N 2.88Å; T1761-S1765 VanDerWaalsContact O-CB 3.31Å; T1761-S1765 WeakPolarHBondContact O-CB 3.21Å; T1761-S1765 PolarHBondContact O-N 2.95Å; T1761-S1765 PolarHBondContact O-OG 2.85Å; T1761-F1784 HydrophobicContact CG2-CB 3.58Å; T1761-F1784 HydrophobicContact CG2-CD1 4.13Å; T1761-F1784 HydrophobicContact CG2-CD2 4.12Å; T1761-F1784 HydrophobicContact CG2-CG 3.68Å; T1761-F1784 WeakPolarHBondContact OG1-CD2 3.23Å; T1761-I1788 HydrophobicContact CG2-CG1 4.35Å; T1761-Y1791 HydrophobicContact CG2-CD2 3.95Å; T1761-Y1791 HydrophobicContact CG2-CE2 3.88Å |
| 1762 | L | 91.2 | Very high | 83.5 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 173.3 | -174.7 | 63.5 | 0 | 0 | 0 | 111.6 | F1680 F1684 W1732 V1733 I1736 V1758 A1759 Q1760 S1765 C1766 | F1680-L1762 HydrophobicContact CD1-CD1 4.29Å; F1680-L1762 HydrophobicContact CE1-CB 3.98Å; F1680-L1762 HydrophobicContact CE1-CD1 4.01Å; F1680-L1762 HydrophobicContact CE1-CG 4.49Å; F1680-L1762 HydrophobicContact CE2-CB 4.44Å; F1680-L1762 HydrophobicContact CE2-CD1 4.32Å; F1680-L1762 HydrophobicContact CZ-CB 3.66Å; F1680-L1762 HydrophobicContact CZ-CD1 4.04Å; F1680-L1762 HydrophobicContact CZ-CG 4.46Å; F1684-L1762 HydrophobicContact CE2-CD1 3.35Å; F1684-L1762 HydrophobicContact CZ-CD1 3.37Å; W1732-L1762 HydrophobicContact CB-CD2 3.84Å; V1733-L1762 HydrophobicContact CG2-CD2 3.85Å; V1733-L1762 HydrophobicContact CG2-CG 4.29Å; I1736-L1762 HydrophobicContact CD1-CD2 3.6Å; V1758-L1762 PolarHBondContact O-N 3.29Å; A1759-L1762 PolarHBondContact O-N 3.13Å; Q1760-L1762 VanDerWaalsContact C-N 3.33Å; L1762-S1765 PolarHBondContact O-N 3.1Å; L1762-C1766 PolarHBondContact O-N 2.86Å; L1762-C1766 VanDerWaalsContact O-N 3.11Å; L1762-C1766 PolarHBondContact O-SG 2.86Å |
| 1763 | M | 89.5 | Confident | 82.5 | Confident | 50 Ų | 50 | 41.4 Ų | 41.4 | 25% | 0.246 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64 | -43 | 177 | -68.8 | -169.4 | -96.9 | 0 | 0 | 113.2 | L1729 V1733 A1759 Q1760 T1761 S1765 C1766 | L1729-M1763 HydrophobicContact CD2-CB 4.01Å; L1729-M1763 HydrophobicContact CD2-CG 3.61Å; V1733-M1763 HydrophobicContact CG1-CE 3.99Å; V1733-M1763 HydrophobicContact CG1-CG 4.39Å; V1733-M1763 HydrophobicContact CG1-SD 4.18Å; V1733-M1763 HydrophobicContact CG2-CG 3.68Å; V1733-M1763 HydrophobicContact CG2-SD 4.5Å; A1759-M1763 VanDerWaalsContact O-CG 3.32Å; A1759-M1763 WeakPolarHBondContact O-CG 3.46Å; A1759-M1763 PolarHBondContact O-N 2.85Å; A1759-M1763 VanDerWaalsContact O-N 3.08Å; Q1760-M1763 PolarHBondContact O-N 3.28Å; T1761-M1763 VanDerWaalsContact C-N 3.34Å; T1761-M1763 PolarHBondContact O-N 2.83Å; M1763-S1765 VanDerWaalsContact C-N 3.29Å; M1763-C1766 PolarHBondContact O-N 2.84Å |
| 1764 | D | 87 | Confident | 81.4 | Confident | 21 Ų | 21 | 44.3 Ų | 44.3 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -72 | -25.4 | 178.9 | -74 | 5.9 | 0 | 0 | 0 | 111.4 | Q1760 T1761 S1767 K1781 I1788 R1792 | Q1760-D1764 PolarHBondContact NE2-OD1 2.96Å; Q1760-D1764 PolarHBondContact O-N 2.91Å; T1761-D1764 PolarHBondContact O-N 2.88Å; D1764-S1767 PolarHBondContact O-N 2.84Å; D1764-K1781 IonicContact OD1-NZ 2.72Å; D1764-K1781 WeakPolarHBondContact OD2-CE 3.27Å; D1764-K1781 IonicContact OD2-NZ 3.51Å; D1764-K1781 PolarHBondContact OD2-NZ 2.84Å; D1764-I1788 HydrophobicContact CB-CD1 3.86Å; D1764-I1788 HydrophobicContact CB-CG1 4.24Å; D1764-I1788 HydrophobicContact CB-CG2 4.5Å; D1764-R1792 PolarHBondContact O-NE 2.83Å; D1764-R1792 VanDerWaalsContact O-NE 3.1Å; D1764-R1792 PolarHBondContact O-NH2 3.08Å |
| 1765 | S | 88.4 | Confident | 79.9 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.007 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -74.5 | -33.7 | 174.3 | -55.4 | 0 | 0 | 0 | 0 | 113.2 | T1761 L1762 M1763 S1767 Y1791 R1792 | T1761-S1765 VanDerWaalsContact O-CB 3.31Å; T1761-S1765 WeakPolarHBondContact O-CB 3.21Å; T1761-S1765 PolarHBondContact O-N 2.95Å; T1761-S1765 PolarHBondContact O-OG 2.85Å; L1762-S1765 PolarHBondContact O-N 3.1Å; M1763-S1765 VanDerWaalsContact C-N 3.29Å; S1765-S1767 PolarHBondContact O-N 2.87Å; S1765-Y1791 WeakPolarHBondContact OG-CB 3.37Å; S1765-R1792 WeakPolarHBondContact O-CG 3.42Å |
| 1766 | C | 89.2 | Confident | 78.6 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 4% | 0.041 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -3.3 | 173.6 | -66 | 0 | 0 | 0 | 0 | 114 | H1720 L1729 L1762 M1763 | H1720-C1766 PolarHBondContact NE2-O 2.93Å; L1729-C1766 HydrophobicContact CD2-CB 4.36Å; L1762-C1766 PolarHBondContact O-N 2.86Å; L1762-C1766 VanDerWaalsContact O-N 3.11Å; L1762-C1766 PolarHBondContact O-SG 2.86Å; M1763-C1766 PolarHBondContact O-N 2.84Å |
| 1767 | S | 85.3 | Confident | 77.1 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 32% | 0.315 | 31% | 0.307 | S | S | . | . | trans | -91.7 | 132.6 | -175.8 | -173.3 | 0 | 0 | 0 | 0 | 112.9 | D1764 S1765 Q1769 R1792 | D1764-S1767 PolarHBondContact O-N 2.84Å; S1765-S1767 PolarHBondContact O-N 2.87Å; S1767-Q1769 PolarHBondContact O-N 2.82Å; S1767-Q1769 PolarHBondContact OG-N 3.12Å; S1767-R1792 PolarHBondContact O-NE 2.85Å; S1767-R1792 VanDerWaalsContact O-NE 3.13Å; S1767-R1792 PolarHBondContact O-NH2 2.79Å | ||
| 1768 | T | 79.8 | Confident | 75.9 | Confident | 61 Ų | 61 | 61.8 Ų | 61.8 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -75.9 | 4.8 | 174.4 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | E1717 | E1717-T1768 HydrophobicContact CG-CG2 4.42Å; E1717-T1768 PolarHBondContact OE2-OG1 2.97Å |
| 1769 | Q | 76.6 | Confident | 74.3 | Confident | 134 Ų | 134 | 64.7 Ų | 64.7 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -118.2 | 126.1 | -176.1 | -66.5 | -173.6 | -7.5 | 0 | 0 | 112.3 | S1767 R1792 | S1767-Q1769 PolarHBondContact O-N 2.82Å; S1767-Q1769 PolarHBondContact OG-N 3.12Å; Q1769-R1792 VanDerWaalsContact O-CZ 3.27Å; Q1769-R1792 PolarHBondContact O-NH1 3.27Å; Q1769-R1792 PolarHBondContact O-NH2 2.95Å |
| 1770 | D | 67.2 | Low | 73.1 | Confident | 112 Ų | 112 | 66 Ų | 66 | 60% | 0.599 | 35% | 0.352 | S | S | * | . | trans | -56.5 | 134.9 | 179.9 | -72.9 | -21.5 | 0 | 0 | 0 | 114 | Q1772 H1789 R1792 | D1770-Q1772 PolarHBondContact O-N 2.81Å; D1770-Q1772 VanDerWaalsContact O-N 3.12Å; D1770-H1789 IonicContact OD1-CE1 3.08Å; D1770-H1789 PolarHBondContact OD1-CE1 3.4Å; D1770-H1789 VanDerWaalsContact OD1-CE1 3.23Å; D1770-H1789 IonicContact OD1-ND1 2.62Å; D1770-R1792 VanDerWaalsContact CA-NH1 3.31Å; D1770-R1792 IonicContact OD1-NH1 2.71Å; D1770-R1792 PolarHBondContact OD1-NH1 2.87Å; D1770-R1792 VanDerWaalsContact OD1-NH1 3.14Å | ||
| 1771 | P | 62.4 | Low | 72 | Confident | 27 Ų | 27 | 65.9 Ų | 65.9 | 18% | 0.175 | 35% | 0.35 | C | S | . | . | trans | -68.8 | 111.6 | -179.7 | 28.5 | -33.4 | 0 | 0 | 0 | 110.1 | L1773 I1788 | P1771-L1773 PolarHBondContact O-N 3.27Å; P1771-I1788 HydrophobicContact CG-CG2 4.24Å | ||
| 1772 | Q | 62.9 | Low | 71 | Confident | 184 Ų | 184 | 70 Ų | 70 | 86% | 0.86 | 37% | 0.372 | S | S | * | . | trans | -69.7 | 99.6 | 172.7 | -68.6 | -166 | 2 | 0 | 0 | 110.6 | D1770 | D1770-Q1772 PolarHBondContact O-N 2.81Å; D1770-Q1772 VanDerWaalsContact O-N 3.12Å | ||
| 1773 | L | 64.8 | Low | 69.8 | Low | 81 Ų | 81 | 73.3 Ų | 73.3 | 42% | 0.424 | 39% | 0.389 | S | S | . | . | trans | -82 | 126.1 | 173.9 | -61.1 | 170.3 | 0 | 0 | 0 | 110 | P1771 L1782 A1785 | P1771-L1773 PolarHBondContact O-N 3.27Å; L1773-L1782 HydrophobicContact CD1-CD2 4.37Å; L1773-L1782 HydrophobicContact CD2-CD2 4.05Å; L1773-A1785 HydrophobicContact CD1-CB 3.64Å; L1773-A1785 HydrophobicContact CD2-CB 4.34Å | ||
| 1774 | T | 60.1 | Low | 69 | Low | 78 Ų | 78 | 71.6 Ų | 71.6 | 48% | 0.479 | 38% | 0.38 | S | S | . | . | trans | -121 | 169.1 | 177.8 | 65.4 | 0 | 0 | 0 | 0 | 109.4 | D1776 S1777 | T1774-D1776 PolarHBondContact O-N 2.85Å; T1774-D1776 VanDerWaalsContact O-N 3.16Å; T1774-D1776 PolarHBondContact OG1-N 2.85Å; T1774-S1777 PolarHBondContact N-OG 2.87Å; T1774-S1777 WeakPolarHBondContact O-CB 3.44Å; T1774-S1777 PolarHBondContact O-N 2.93Å; T1774-S1777 VanDerWaalsContact O-N 3.09Å; T1774-S1777 PolarHBondContact O-OG 2.77Å; T1774-S1777 PolarHBondContact OG1-N 2.82Å; T1774-S1777 PolarHBondContact OG1-OG 3.34Å | ||
| 1775 | K | 54.6 | Low | 68.1 | Low | 204 Ų | 204 | 71.3 Ų | 71.3 | 89% | 0.887 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -27.5 | 172.4 | -173.2 | -170.8 | 169.1 | -158.7 | 0 | 112.2 | ||
| 1776 | D | 62.3 | Low | 67.2 | Low | 139 Ų | 139 | 79.1 Ų | 79.1 | 74% | 0.743 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 9.5 | -177.1 | -44.8 | -51.3 | 0 | 0 | 0 | 112 | T1774 | T1774-D1776 PolarHBondContact O-N 2.85Å; T1774-D1776 VanDerWaalsContact O-N 3.16Å; T1774-D1776 PolarHBondContact OG1-N 2.85Å |
| 1777 | S | 58.3 | Low | 66.7 | Low | 18 Ų | 18 | 80 Ų | 80 | 13% | 0.126 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -70.7 | 130.9 | 170.6 | -69.8 | 0 | 0 | 0 | 0 | 109.7 | T1774 | T1774-S1777 PolarHBondContact N-OG 2.87Å; T1774-S1777 WeakPolarHBondContact O-CB 3.44Å; T1774-S1777 PolarHBondContact O-N 2.93Å; T1774-S1777 VanDerWaalsContact O-N 3.09Å; T1774-S1777 PolarHBondContact O-OG 2.77Å; T1774-S1777 PolarHBondContact OG1-N 2.82Å; T1774-S1777 PolarHBondContact OG1-OG 3.34Å |
| 1778 | P | 59.6 | Low | 66.5 | Low | 60 Ų | 60 | 78 Ų | 78 | 39% | 0.39 | 40% | 0.4 | S | S | . | . | trans | -64 | 150.3 | -175.7 | 26.8 | -35 | 0 | 0 | 0 | 111.2 | S1780 K1781 L1782 | P1778-S1780 PolarHBondContact O-N 2.76Å; P1778-S1780 VanDerWaalsContact O-N 3.1Å; P1778-K1781 HydrophobicContact CG-CB 4.29Å; P1778-K1781 HydrophobicContact CG-CG 4.38Å; P1778-K1781 PolarHBondContact O-N 3.24Å; P1778-L1782 PolarHBondContact O-N 2.78Å | ||
| 1779 | S | 56.8 | Low | 66.6 | Low | 61 Ų | 61 | 79.4 Ų | 79.4 | 43% | 0.427 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -54.6 | -35.3 | -177.5 | -49.1 | 0 | 0 | 0 | 0 | 111.9 | E1487 K1781 L1782 L1783 | E1487-S1779 VanDerWaalsContact OE2-CB 3.25Å; E1487-S1779 WeakPolarHBondContact OE2-CB 3.4Å; E1487-S1779 PolarHBondContact OE2-N 2.87Å; E1487-S1779 PolarHBondContact OE2-OG 3.04Å; S1779-K1781 VanDerWaalsContact C-N 3.28Å; S1779-K1781 PolarHBondContact O-N 3.03Å; S1779-L1782 WeakPolarHBondContact O-CA 3.43Å; S1779-L1782 WeakPolarHBondContact O-CB 3.29Å; S1779-L1782 PolarHBondContact O-N 2.66Å; S1779-L1783 PolarHBondContact O-N 3.24Å |
| 1780 | S | 63.3 | Low | 66.9 | Low | 27 Ų | 27 | 75 Ų | 75 | 19% | 0.189 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -63.3 | -26 | 175.9 | 52.2 | 0 | 0 | 0 | 0 | 114.7 | P1778 | P1778-S1780 PolarHBondContact O-N 2.76Å; P1778-S1780 VanDerWaalsContact O-N 3.1Å |
| 1781 | K | 66.2 | Low | 67.9 | Low | 69 Ų | 69 | 69.7 Ų | 69.7 | 30% | 0.3 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -81.1 | -24.6 | 169.9 | -90.7 | -161.3 | 169 | -141.5 | 0 | 113.2 | D1764 P1778 S1779 A1785 | D1764-K1781 IonicContact OD1-NZ 2.72Å; D1764-K1781 WeakPolarHBondContact OD2-CE 3.27Å; D1764-K1781 IonicContact OD2-NZ 3.51Å; D1764-K1781 PolarHBondContact OD2-NZ 2.84Å; P1778-K1781 HydrophobicContact CG-CB 4.29Å; P1778-K1781 HydrophobicContact CG-CG 4.38Å; P1778-K1781 PolarHBondContact O-N 3.24Å; S1779-K1781 VanDerWaalsContact C-N 3.28Å; S1779-K1781 PolarHBondContact O-N 3.03Å; K1781-A1785 WeakPolarHBondContact O-CB 3.18Å; K1781-A1785 PolarHBondContact O-N 2.84Å |
| 1782 | L | 65.7 | Low | 69.2 | Low | 93 Ų | 93 | 69.4 Ų | 69.4 | 49% | 0.487 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -75.9 | -30.5 | 174.7 | -64.8 | 170.4 | 0 | 0 | 0 | 111.8 | L1773 P1778 S1779 F1784 A1785 | L1773-L1782 HydrophobicContact CD1-CD2 4.37Å; L1773-L1782 HydrophobicContact CD2-CD2 4.05Å; P1778-L1782 PolarHBondContact O-N 2.78Å; S1779-L1782 WeakPolarHBondContact O-CA 3.43Å; S1779-L1782 WeakPolarHBondContact O-CB 3.29Å; S1779-L1782 PolarHBondContact O-N 2.66Å; L1782-F1784 VanDerWaalsContact C-N 3.33Å; L1782-F1784 PolarHBondContact O-N 2.83Å; L1782-A1785 WeakPolarHBondContact O-CB 3.48Å; L1782-A1785 PolarHBondContact O-N 2.93Å |
| 1783 | L | 66.8 | Low | 70.3 | Confident | 69 Ų | 69 | 65.4 Ų | 65.4 | 36% | 0.361 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -42.8 | -179.3 | -74.2 | 177 | 0 | 0 | 0 | 114.2 | L1485 S1779 | L1485-L1783 HydrophobicContact CB-CD1 4.34Å; L1485-L1783 HydrophobicContact CD2-CD1 3.96Å; L1485-L1783 WeakPolarHBondContact O-CD1 3.48Å; S1779-L1783 PolarHBondContact O-N 3.24Å |
| 1784 | F | 72.5 | Confident | 71.5 | Confident | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.057 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 14.1 | -179.3 | -61.8 | -78.6 | 0 | 0 | 0 | 112.7 | V1676 V1757 T1761 L1782 R1786 D1787 I1788 Y1791 | V1676-F1784 HydrophobicContact CG1-CE1 4.42Å; V1676-F1784 HydrophobicContact CG2-CE1 4.39Å; V1676-F1784 HydrophobicContact CG2-CZ 4.2Å; V1757-F1784 HydrophobicContact CG1-CD2 4.22Å; V1757-F1784 HydrophobicContact CG1-CE2 3.97Å; T1761-F1784 HydrophobicContact CG2-CB 3.58Å; T1761-F1784 HydrophobicContact CG2-CD1 4.13Å; T1761-F1784 HydrophobicContact CG2-CD2 4.12Å; T1761-F1784 HydrophobicContact CG2-CG 3.68Å; T1761-F1784 WeakPolarHBondContact OG1-CD2 3.23Å; L1782-F1784 VanDerWaalsContact C-N 3.33Å; L1782-F1784 PolarHBondContact O-N 2.83Å; F1784-R1786 PolarHBondContact O-N 3.3Å; F1784-D1787 PolarHBondContact O-N 2.78Å; F1784-D1787 VanDerWaalsContact O-N 3.12Å; F1784-I1788 VanDerWaalsContact O-CG1 3.3Å; F1784-I1788 WeakPolarHBondContact O-CG1 3.45Å; F1784-I1788 PolarHBondContact O-N 2.92Å; F1784-Y1791 HydrophobicContact CD1-CE2 4.41Å |
| 1785 | A | 68 | Low | 73 | Confident | 16 Ų | 16 | 59.3 Ų | 59.3 | 13% | 0.132 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -36.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1773 K1781 L1782 | L1773-A1785 HydrophobicContact CD1-CB 3.64Å; L1773-A1785 HydrophobicContact CD2-CB 4.34Å; K1781-A1785 WeakPolarHBondContact O-CB 3.18Å; K1781-A1785 PolarHBondContact O-N 2.84Å; L1782-A1785 WeakPolarHBondContact O-CB 3.48Å; L1782-A1785 PolarHBondContact O-N 2.93Å |
| 1786 | R | 70 | Confident | 74.6 | Confident | 165 Ų | 165 | 54.8 Ų | 54.8 | 62% | 0.623 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -32.2 | -179.6 | -153.2 | 175.6 | 81.2 | -178.1 | 9.6 | 111.9 | E1283 F1784 | E1283-R1786 IonicContact OE1-NH1 2.89Å; E1283-R1786 PolarHBondContact OE1-NH1 3.25Å; F1784-R1786 PolarHBondContact O-N 3.3Å |
| 1787 | D | 77.6 | Confident | 75.9 | Confident | 24 Ų | 24 | 53.7 Ų | 53.7 | 13% | 0.128 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -20.6 | -170.1 | -38.9 | -63.1 | 0 | 0 | 0 | 112.6 | F1784 H1789 F1790 Y1791 | F1784-D1787 PolarHBondContact O-N 2.78Å; F1784-D1787 VanDerWaalsContact O-N 3.12Å; D1787-H1789 PolarHBondContact O-N 3.14Å; D1787-H1789 VanDerWaalsContact O-N 3.15Å; D1787-F1790 WeakPolarHBondContact O-CA 3.34Å; D1787-F1790 WeakPolarHBondContact O-CB 3.44Å; D1787-F1790 PolarHBondContact O-N 2.87Å; D1787-Y1791 HydrophobicContact CB-CD2 4.25Å; D1787-Y1791 HydrophobicContact CB-CE2 3.67Å; D1787-Y1791 WeakPolarHBondContact O-CD2 3.31Å; D1787-Y1791 PolarHBondContact O-N 2.85Å |
| 1788 | I | 80.6 | Confident | 77.5 | Confident | 4 Ų | 4 | 53 Ų | 53 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -52.3 | -36.2 | 173 | -79 | 161.8 | 0 | 0 | 0 | 112.2 | T1761 D1764 P1771 F1784 R1792 | T1761-I1788 HydrophobicContact CG2-CG1 4.35Å; D1764-I1788 HydrophobicContact CB-CD1 3.86Å; D1764-I1788 HydrophobicContact CB-CG1 4.24Å; D1764-I1788 HydrophobicContact CB-CG2 4.5Å; P1771-I1788 HydrophobicContact CG-CG2 4.24Å; F1784-I1788 VanDerWaalsContact O-CG1 3.3Å; F1784-I1788 WeakPolarHBondContact O-CG1 3.45Å; F1784-I1788 PolarHBondContact O-N 2.92Å; I1788-R1792 VanDerWaalsContact CG2-NE 3.33Å; I1788-R1792 WeakPolarHBondContact O-CD 2.97Å; I1788-R1792 VanDerWaalsContact O-CG 3.24Å; I1788-R1792 WeakPolarHBondContact O-CG 3.48Å; I1788-R1792 PolarHBondContact O-N 2.83Å |
| 1789 | H | 82 | Confident | 79.1 | Confident | 90 Ų | 90 | 50.8 Ų | 50.8 | 42% | 0.417 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -41 | 175 | -70.4 | -79.7 | 0 | 0 | 0 | 112.3 | D1770 D1787 R1792 E1793 | D1770-H1789 IonicContact OD1-CE1 3.08Å; D1770-H1789 PolarHBondContact OD1-CE1 3.4Å; D1770-H1789 VanDerWaalsContact OD1-CE1 3.23Å; D1770-H1789 IonicContact OD1-ND1 2.62Å; D1787-H1789 PolarHBondContact O-N 3.14Å; D1787-H1789 VanDerWaalsContact O-N 3.15Å; H1789-R1792 WeakPolarHBondContact O-CB 3.18Å; H1789-R1792 PolarHBondContact O-N 3.04Å; H1789-E1793 PolarHBondContact O-N 2.93Å |
| 1790 | F | 83.6 | Confident | 80.6 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 18% | 0.184 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.7 | -40.7 | 177.8 | 177.5 | -115.5 | 0 | 0 | 0 | 111.9 | Q70 D1787 R1792 E1793 W1794 | Q70-F1790 HydrophobicContact CB-CE1 4.25Å; Q70-F1790 HydrophobicContact CB-CE2 4.34Å; Q70-F1790 HydrophobicContact CB-CZ 3.98Å; Q70-F1790 HydrophobicContact CG-CE1 3.86Å; Q70-F1790 HydrophobicContact CG-CE2 4.29Å; Q70-F1790 HydrophobicContact CG-CZ 3.52Å; D1787-F1790 WeakPolarHBondContact O-CA 3.34Å; D1787-F1790 WeakPolarHBondContact O-CB 3.44Å; D1787-F1790 PolarHBondContact O-N 2.87Å; F1790-R1792 VanDerWaalsContact C-N 3.28Å; F1790-R1792 PolarHBondContact O-N 2.9Å; F1790-E1793 WeakPolarHBondContact O-CB 3.22Å; F1790-E1793 PolarHBondContact O-N 2.72Å; F1790-W1794 HydrophobicContact CD1-CZ2 4.29Å; F1790-W1794 AromaticContact CD1-NE1 3.87Å; F1790-W1794 AromaticContact CD2-NE1 3.93Å; F1790-W1794 AromaticContact CE1-CE2 3.43Å; F1790-W1794 VanDerWaalsContact CE1-CE2 3.43Å; F1790-W1794 HydrophobicContact CE1-CH2 4.26Å; F1790-W1794 AromaticContact CE1-CZ2 3.28Å; F1790-W1794 HydrophobicContact CE1-CZ2 3.28Å; F1790-W1794 AromaticContact CE1-NE1 3.32Å; F1790-W1794 VanDerWaalsContact CE1-NE1 3.32Å; F1790-W1794 AromaticContact CE2-NE1 3.39Å; F1790-W1794 AromaticContact CZ-CE2 3.52Å; F1790-W1794 AromaticContact CZ-CZ2 3.5Å; F1790-W1794 HydrophobicContact CZ-CZ2 3.5Å; F1790-W1794 AromaticContact CZ-NE1 3.05Å; F1790-W1794 PolarHBondContact O-N 3.16Å |
| 1791 | Y | 88.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.6 | -26.2 | 174.1 | -57.7 | -35.7 | 0 | 0 | 0 | 112.9 | E1677 F1680 T1761 S1765 F1784 D1787 W1794 V1795 | E1677-Y1791 HydrophobicContact CG-CE1 3.96Å; F1680-Y1791 AromaticContact CD2-CD1 3.95Å; F1680-Y1791 HydrophobicContact CD2-CD1 3.95Å; F1680-Y1791 HydrophobicContact CD2-CD2 4.01Å; F1680-Y1791 HydrophobicContact CD2-CE1 4.23Å; F1680-Y1791 HydrophobicContact CD2-CE2 4.29Å; F1680-Y1791 AromaticContact CD2-CG 3.85Å; F1680-Y1791 HydrophobicContact CD2-CG 3.85Å; F1680-Y1791 AromaticContact CE2-CD2 3.84Å; F1680-Y1791 HydrophobicContact CE2-CD2 3.84Å; F1680-Y1791 HydrophobicContact CE2-CE2 4.12Å; F1680-Y1791 HydrophobicContact CE2-CG 4.11Å; T1761-Y1791 HydrophobicContact CG2-CD2 3.95Å; T1761-Y1791 HydrophobicContact CG2-CE2 3.88Å; S1765-Y1791 WeakPolarHBondContact OG-CB 3.37Å; F1784-Y1791 HydrophobicContact CD1-CE2 4.41Å; D1787-Y1791 HydrophobicContact CB-CD2 4.25Å; D1787-Y1791 HydrophobicContact CB-CE2 3.67Å; D1787-Y1791 WeakPolarHBondContact O-CD2 3.31Å; D1787-Y1791 PolarHBondContact O-N 2.85Å; Y1791-W1794 HydrophobicContact CD1-CE3 4.47Å; Y1791-W1794 WeakPolarHBondContact O-CB 3.42Å; Y1791-W1794 PolarHBondContact O-N 2.87Å; Y1791-V1795 WeakPolarHBondContact O-CG2 3.35Å; Y1791-V1795 PolarHBondContact O-N 2.82Å; Y1791-V1795 VanDerWaalsContact O-N 3.07Å |
| 1792 | R | 88.8 | Confident | 83.1 | Confident | 20 Ų | 20 | 47.5 Ų | 47.5 | 8% | 0.075 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66 | -45 | 169.7 | -78.6 | 160.3 | -173.7 | -150.9 | -8.4 | 112.3 | D1764 S1765 S1767 Q1769 D1770 I1788 H1789 F1790 W1794 V1795 E1796 | D1764-R1792 PolarHBondContact O-NE 2.83Å; D1764-R1792 VanDerWaalsContact O-NE 3.1Å; D1764-R1792 PolarHBondContact O-NH2 3.08Å; S1765-R1792 WeakPolarHBondContact O-CG 3.42Å; S1767-R1792 PolarHBondContact O-NE 2.85Å; S1767-R1792 VanDerWaalsContact O-NE 3.13Å; S1767-R1792 PolarHBondContact O-NH2 2.79Å; Q1769-R1792 VanDerWaalsContact O-CZ 3.27Å; Q1769-R1792 PolarHBondContact O-NH1 3.27Å; Q1769-R1792 PolarHBondContact O-NH2 2.95Å; D1770-R1792 VanDerWaalsContact CA-NH1 3.31Å; D1770-R1792 IonicContact OD1-NH1 2.71Å; D1770-R1792 PolarHBondContact OD1-NH1 2.87Å; D1770-R1792 VanDerWaalsContact OD1-NH1 3.14Å; I1788-R1792 VanDerWaalsContact CG2-NE 3.33Å; I1788-R1792 WeakPolarHBondContact O-CD 2.97Å; I1788-R1792 VanDerWaalsContact O-CG 3.24Å; I1788-R1792 WeakPolarHBondContact O-CG 3.48Å; I1788-R1792 PolarHBondContact O-N 2.83Å; H1789-R1792 WeakPolarHBondContact O-CB 3.18Å; H1789-R1792 PolarHBondContact O-N 3.04Å; F1790-R1792 VanDerWaalsContact C-N 3.28Å; F1790-R1792 PolarHBondContact O-N 2.9Å; R1792-W1794 PolarHBondContact O-N 3.04Å; R1792-V1795 PolarHBondContact O-N 3.04Å; R1792-E1796 WeakPolarHBondContact O-CG 3.26Å; R1792-E1796 PolarHBondContact O-N 3.08Å |
| 1793 | E | 86.5 | Confident | 84.2 | Confident | 100 Ų | 100 | 48.9 Ų | 48.9 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.1 | -32.1 | 173.3 | -65.5 | -179.2 | -172.9 | 0 | 0 | 111.7 | H1789 F1790 R1797 | H1789-E1793 PolarHBondContact O-N 2.93Å; F1790-E1793 WeakPolarHBondContact O-CB 3.22Å; F1790-E1793 PolarHBondContact O-N 2.72Å; E1793-R1797 WeakPolarHBondContact O-CB 3.36Å; E1793-R1797 PolarHBondContact O-N 2.66Å |
| 1794 | W | 90.3 | Very high | 85.3 | Confident | 32 Ų | 32 | 52.7 Ų | 52.7 | 12% | 0.121 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69 | -42.1 | 173.6 | -70 | 24 | 0 | 0 | 0 | 112.1 | E1677 F1680 E1681 F1684 F1790 Y1791 R1792 Y1798 | E1677-W1794 HydrophobicContact CB-CH2 4.45Å; F1680-W1794 HydrophobicContact CB-CE3 4.18Å; F1680-W1794 HydrophobicContact CB-CZ3 4.01Å; E1681-W1794 HydrophobicContact CB-CH2 4.17Å; E1681-W1794 HydrophobicContact CB-CZ3 3.82Å; F1684-W1794 HydrophobicContact CB-CB 4.47Å; F1790-W1794 HydrophobicContact CD1-CZ2 4.29Å; F1790-W1794 AromaticContact CD1-NE1 3.87Å; F1790-W1794 AromaticContact CD2-NE1 3.93Å; F1790-W1794 AromaticContact CE1-CE2 3.43Å; F1790-W1794 VanDerWaalsContact CE1-CE2 3.43Å; F1790-W1794 HydrophobicContact CE1-CH2 4.26Å; F1790-W1794 AromaticContact CE1-CZ2 3.28Å; F1790-W1794 HydrophobicContact CE1-CZ2 3.28Å; F1790-W1794 AromaticContact CE1-NE1 3.32Å; F1790-W1794 VanDerWaalsContact CE1-NE1 3.32Å; F1790-W1794 AromaticContact CE2-NE1 3.39Å; F1790-W1794 AromaticContact CZ-CE2 3.52Å; F1790-W1794 AromaticContact CZ-CZ2 3.5Å; F1790-W1794 HydrophobicContact CZ-CZ2 3.5Å; F1790-W1794 AromaticContact CZ-NE1 3.05Å; F1790-W1794 PolarHBondContact O-N 3.16Å; Y1791-W1794 HydrophobicContact CD1-CE3 4.47Å; Y1791-W1794 WeakPolarHBondContact O-CB 3.42Å; Y1791-W1794 PolarHBondContact O-N 2.87Å; R1792-W1794 PolarHBondContact O-N 3.04Å; W1794-Y1798 WeakPolarHBondContact O-CB 3.46Å; W1794-Y1798 PolarHBondContact O-N 3.35Å |
| 1795 | V | 91.4 | Very high | 86 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.7 | -44.1 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.5 | F1684 Y1791 R1792 Y1798 Y1799 | F1684-V1795 HydrophobicContact CD1-CG2 4.18Å; F1684-V1795 HydrophobicContact CD2-CG2 4.18Å; F1684-V1795 HydrophobicContact CE1-CG2 3.75Å; F1684-V1795 HydrophobicContact CE2-CG2 3.73Å; F1684-V1795 HydrophobicContact CG-CG2 4.39Å; F1684-V1795 HydrophobicContact CZ-CG2 3.5Å; F1684-V1795 VanDerWaalsContact CZ-CG2 3.5Å; Y1791-V1795 WeakPolarHBondContact O-CG2 3.35Å; Y1791-V1795 PolarHBondContact O-N 2.82Å; Y1791-V1795 VanDerWaalsContact O-N 3.07Å; R1792-V1795 PolarHBondContact O-N 3.04Å; V1795-Y1798 PolarHBondContact O-N 3.04Å; V1795-Y1799 HydrophobicContact CG1-CD2 4.03Å; V1795-Y1799 HydrophobicContact CG1-CE2 3.49Å; V1795-Y1799 VanDerWaalsContact CG1-CE2 3.49Å; V1795-Y1799 PolarHBondContact O-N 3.05Å |
| 1796 | E | 88 | Confident | 87 | Confident | 108 Ų | 108 | 59 Ų | 59 | 51% | 0.505 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -46 | 177.6 | -71.4 | 176.6 | -176.5 | 0 | 0 | 111.1 | R1792 Y1799 A1800 | R1792-E1796 WeakPolarHBondContact O-CG 3.26Å; R1792-E1796 PolarHBondContact O-N 3.08Å; E1796-Y1799 PolarHBondContact O-N 2.87Å; E1796-A1800 PolarHBondContact O-N 3.29Å |
| 1797 | R | 89.3 | Confident | 87.8 | Confident | 117 Ų | 117 | 58 Ų | 58 | 44% | 0.442 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 174 | -172.9 | -179.9 | -58.6 | 103.6 | 7.8 | 111.5 | E1793 Y1799 A1800 D1801 | E1793-R1797 WeakPolarHBondContact O-CB 3.36Å; E1793-R1797 PolarHBondContact O-N 2.66Å; R1797-Y1799 VanDerWaalsContact C-N 3.33Å; R1797-Y1799 PolarHBondContact O-N 2.95Å; R1797-A1800 CarbonylContact O-C 3.57Å; R1797-A1800 PolarHBondContact O-N 3.31Å; R1797-A1800 VanDerWaalsContact O-N 3.1Å; R1797-D1801 WeakPolarHBondContact CG-OD2 3.49Å; R1797-D1801 WeakPolarHBondContact O-CB 3.41Å; R1797-D1801 PolarHBondContact O-N 3.31Å |
| 1798 | Y | 91.8 | Very high | 88.4 | Confident | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.012 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.4 | -45 | 176.7 | 174.9 | -112.1 | 0 | 0 | 0 | 112.4 | F1684 L1693 Y1701 W1794 V1795 D1801 V1802 | F1684-Y1798 HydrophobicContact CB-CD2 4.4Å; F1684-Y1798 HydrophobicContact CB-CG 4.2Å; F1684-Y1798 AromaticContact CD1-CD1 3.8Å; F1684-Y1798 HydrophobicContact CD1-CD1 3.8Å; F1684-Y1798 HydrophobicContact CD1-CE1 4.24Å; F1684-Y1798 HydrophobicContact CD1-CG 4.02Å; F1684-Y1798 WeakPolarHBondContact O-CB 3.34Å; F1684-Y1798 VanDerWaalsContact O-CD2 3.25Å; F1684-Y1798 WeakPolarHBondContact O-CD2 3.29Å; L1693-Y1798 HydrophobicContact CD1-CE2 3.74Å; Y1701-Y1798 HydrophobicContact CE2-CE1 4.17Å; W1794-Y1798 WeakPolarHBondContact O-CB 3.46Å; W1794-Y1798 PolarHBondContact O-N 3.35Å; V1795-Y1798 PolarHBondContact O-N 3.04Å; Y1798-D1801 PolarHBondContact O-N 2.03Å; Y1798-V1802 HydrophobicContact CD2-CG2 4Å; Y1798-V1802 HydrophobicContact CE1-CG2 4.43Å; Y1798-V1802 HydrophobicContact CE2-CG2 3.8Å; Y1798-V1802 HydrophobicContact CG-CG2 4.44Å; Y1798-V1802 WeakPolarHBondContact O-CB 3.47Å; Y1798-V1802 WeakPolarHBondContact O-CG2 3.28Å; Y1798-V1802 PolarHBondContact O-N 3.3Å |
| 1799 | Y | 92.7 | Very high | 88.8 | Confident | 14 Ų | 14 | 60 Ų | 60 | 6% | 0.055 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.3 | -34.2 | 177.2 | -64.9 | -27.2 | 0 | 0 | 0 | 113.2 | Y1701 H1720 K1723 S1724 V1795 E1796 R1797 Q1803 | Y1701-Y1799 AromaticContact CE2-CD1 3.83Å; Y1701-Y1799 HydrophobicContact CE2-CD1 3.83Å; Y1701-Y1799 AromaticContact CE2-CE1 3.81Å; Y1701-Y1799 HydrophobicContact CE2-CE1 3.81Å; H1720-Y1799 AromaticContact CE1-CD2 3.82Å; H1720-Y1799 AromaticContact CE1-CE2 3.62Å; H1720-Y1799 AromaticContact CG-CE2 3.9Å; H1720-Y1799 AromaticContact ND1-CD2 3.47Å; H1720-Y1799 WeakPolarHBondContact ND1-CD2 3.21Å; H1720-Y1799 AromaticContact ND1-CE2 3.59Å; H1720-Y1799 AromaticContact NE2-CE2 3.92Å; K1723-Y1799 HydrophobicContact CB-CD1 4.17Å; K1723-Y1799 HydrophobicContact CB-CE1 3.72Å; K1723-Y1799 HydrophobicContact CB-CE2 4.13Å; K1723-Y1799 HydrophobicContact CD-CD1 4.17Å; K1723-Y1799 HydrophobicContact CD-CG 4.26Å; S1724-Y1799 WeakPolarHBondContact CA-OH 3.48Å; S1724-Y1799 PolarHBondContact N-OH 3.12Å; S1724-Y1799 VanDerWaalsContact N-OH 3.08Å; S1724-Y1799 PolarHBondContact OG-OH 3.29Å; V1795-Y1799 HydrophobicContact CG1-CD2 4.03Å; V1795-Y1799 HydrophobicContact CG1-CE2 3.49Å; V1795-Y1799 VanDerWaalsContact CG1-CE2 3.49Å; V1795-Y1799 PolarHBondContact O-N 3.05Å; E1796-Y1799 PolarHBondContact O-N 2.87Å; R1797-Y1799 VanDerWaalsContact C-N 3.33Å; R1797-Y1799 PolarHBondContact O-N 2.95Å; Y1799-Q1803 VanDerWaalsContact O-CB 3.31Å; Y1799-Q1803 WeakPolarHBondContact O-CB 3.37Å; Y1799-Q1803 PolarHBondContact O-N 2.93Å |
| 1800 | A | 89.4 | Confident | 89.1 | Confident | 38 Ų | 38 | 60 Ų | 60 | 31% | 0.314 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.2 | -42 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | E1796 R1797 Q1803 Q1804 | E1796-A1800 PolarHBondContact O-N 3.29Å; R1797-A1800 CarbonylContact O-C 3.57Å; R1797-A1800 PolarHBondContact O-N 3.31Å; R1797-A1800 VanDerWaalsContact O-N 3.1Å; A1800-Q1803 PolarHBondContact O-N 3.43Å; A1800-Q1804 VanDerWaalsContact O-CG 3.31Å; A1800-Q1804 WeakPolarHBondContact O-CG 3.45Å; A1800-Q1804 PolarHBondContact O-N 3.42Å; A1800-Q1804 PolarHBondContact O-NE2 3.1Å |
| 1801 | D | 90.1 | Very high | 89.4 | Confident | 47 Ų | 47 | 65.8 Ų | 65.8 | 25% | 0.251 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 179.5 | -69.1 | -5 | 0 | 0 | 0 | 110.7 | I1686 R1797 Y1798 Q1803 Q1804 L1805 | I1686-D1801 HydrophobicContact CD1-CB 4.12Å; I1686-D1801 HydrophobicContact CG1-CB 4.3Å; I1686-D1801 HydrophobicContact CG2-CB 3.82Å; R1797-D1801 WeakPolarHBondContact CG-OD2 3.49Å; R1797-D1801 WeakPolarHBondContact O-CB 3.41Å; R1797-D1801 PolarHBondContact O-N 3.31Å; Y1798-D1801 PolarHBondContact O-N 2.03Å; D1801-Q1803 VanDerWaalsContact C-N 3.3Å; D1801-Q1803 PolarHBondContact O-N 3.32Å; D1801-Q1804 PolarHBondContact O-N 3.2Å; D1801-Q1804 VanDerWaalsContact O-N 3.17Å; D1801-L1805 PolarHBondContact O-N 3.05Å |
| 1802 | V | 91 | Very high | 89.5 | Confident | 2 Ų | 2 | 70.3 Ų | 70.3 | 1% | 0.012 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 173.7 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | I1686 L1693 K1698 Y1701 Y1798 Q1804 L1805 | I1686-V1802 HydrophobicContact CG2-CG2 3.83Å; L1693-V1802 HydrophobicContact CD1-CG2 4.2Å; L1693-V1802 HydrophobicContact CD2-CB 4.47Å; L1693-V1802 HydrophobicContact CD2-CG1 3.99Å; L1693-V1802 HydrophobicContact CD2-CG2 3.78Å; K1698-V1802 HydrophobicContact CB-CG1 4.37Å; K1698-V1802 HydrophobicContact CD-CG1 4.03Å; K1698-V1802 WeakPolarHBondContact CD-O 3.07Å; K1698-V1802 WeakPolarHBondContact CE-O 3.04Å; Y1701-V1802 HydrophobicContact CD2-CB 4.38Å; Y1701-V1802 HydrophobicContact CD2-CG1 3.7Å; Y1701-V1802 HydrophobicContact CE2-CG1 4.41Å; Y1798-V1802 HydrophobicContact CD2-CG2 4Å; Y1798-V1802 HydrophobicContact CE1-CG2 4.43Å; Y1798-V1802 HydrophobicContact CE2-CG2 3.8Å; Y1798-V1802 HydrophobicContact CG-CG2 4.44Å; Y1798-V1802 WeakPolarHBondContact O-CB 3.47Å; Y1798-V1802 WeakPolarHBondContact O-CG2 3.28Å; Y1798-V1802 PolarHBondContact O-N 3.3Å; V1802-Q1804 VanDerWaalsContact C-N 3.29Å; V1802-Q1804 PolarHBondContact O-N 2.81Å; V1802-L1805 PolarHBondContact O-N 3.4Å |
| 1803 | Q | 89.9 | Confident | 89.7 | Confident | 122 Ų | 122 | 69.4 Ų | 69.4 | 57% | 0.57 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -64.3 | -32.6 | 175.9 | -170.5 | 177.5 | 20.3 | 0 | 0 | 112.7 | Y1799 A1800 D1801 | Y1799-Q1803 VanDerWaalsContact O-CB 3.31Å; Y1799-Q1803 WeakPolarHBondContact O-CB 3.37Å; Y1799-Q1803 PolarHBondContact O-N 2.93Å; A1800-Q1803 PolarHBondContact O-N 3.43Å; D1801-Q1803 VanDerWaalsContact C-N 3.3Å; D1801-Q1803 PolarHBondContact O-N 3.32Å |
| 1804 | Q | 89.5 | Confident | 89.9 | Confident | 150 Ų | 150 | 67.6 Ų | 67.6 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -77.5 | -16.2 | 178.2 | -74.2 | 170.2 | 61.5 | 0 | 0 | 114.4 | A1800 D1801 V1802 | A1800-Q1804 VanDerWaalsContact O-CG 3.31Å; A1800-Q1804 WeakPolarHBondContact O-CG 3.45Å; A1800-Q1804 PolarHBondContact O-N 3.42Å; A1800-Q1804 PolarHBondContact O-NE2 3.1Å; D1801-Q1804 PolarHBondContact O-N 3.2Å; D1801-Q1804 VanDerWaalsContact O-N 3.17Å; V1802-Q1804 VanDerWaalsContact C-N 3.29Å; V1802-Q1804 PolarHBondContact O-N 2.81Å |
| 1805 | L | 88.1 | Confident | 90 | Very high | 52 Ų | 52 | 69.1 Ų | 69.1 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -62.3 | 152.2 | 175.1 | -69.3 | 173.9 | 0 | 0 | 0 | 111.2 | I1686 L1693 K1698 D1801 V1802 | I1686-L1805 HydrophobicContact CD1-CD2 4.4Å; I1686-L1805 HydrophobicContact CG2-CD1 4.22Å; L1693-L1805 HydrophobicContact CB-CD1 4.3Å; L1693-L1805 HydrophobicContact CD2-CD1 3.58Å; K1698-L1805 HydrophobicContact CD-CB 4.1Å; K1698-L1805 VanDerWaalsContact CE-C 3.44Å; K1698-L1805 WeakPolarHBondContact CE-O 3.32Å; K1698-L1805 HydrophobicContact CG-CB 4.39Å; K1698-L1805 PolarHBondContact NZ-O 3.19Å; D1801-L1805 PolarHBondContact O-N 3.05Å; V1802-L1805 PolarHBondContact O-N 3.4Å |
| 1806 | P | 88.1 | Confident | 90 | Very high | 108 Ų | 108 | 71.2 Ų | 71.2 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 143.2 | 174.8 | -25.7 | 34.9 | 0 | 0 | 0 | 112.4 | K1698 I1808 | K1698-P1806 WeakPolarHBondContact CE-O 3.33Å; P1806-I1808 PolarHBondContact O-N 3.39Å |
| 1807 | I | 87 | Confident | 90.2 | Very high | 145 Ų | 145 | 66.1 Ų | 66.1 | 74% | 0.744 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -63 | 125.9 | 172.3 | -59.1 | 172.7 | 0 | 0 | 0 | 108.2 | ||
| 1808 | I | 89.8 | Confident | 90.3 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.128 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -81.5 | 125.5 | 178.7 | -62.9 | 169.4 | 0 | 0 | 0 | 108.3 | L1695 K1698 Y1699 P1806 D1812 M1813 | L1695-I1808 HydrophobicContact CB-CD1 3.92Å; L1695-I1808 HydrophobicContact CD2-CD1 3.67Å; L1695-I1808 HydrophobicContact CD2-CG1 4.3Å; L1695-I1808 HydrophobicContact CG-CD1 4.41Å; L1695-I1808 WeakPolarHBondContact O-CD1 3.47Å; K1698-I1808 HydrophobicContact CB-CD1 3.66Å; K1698-I1808 HydrophobicContact CG-CD1 3.71Å; K1698-I1808 HydrophobicContact CG-CG1 4.05Å; Y1699-I1808 HydrophobicContact CD2-CB 4.35Å; Y1699-I1808 HydrophobicContact CD2-CG2 4.29Å; P1806-I1808 PolarHBondContact O-N 3.39Å; I1808-D1812 HydrophobicContact CG2-CB 4.29Å; I1808-M1813 HydrophobicContact CG2-CB 4.05Å |
| 1809 | S | 89.2 | Confident | 90.2 | Very high | 44 Ų | 44 | 67.1 Ų | 67.1 | 31% | 0.308 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 150.4 | 179.2 | 85.5 | 0 | 0 | 0 | 0 | 111.3 | Q1811 D1812 M1813 | S1809-Q1811 PolarHBondContact O-N 3Å; S1809-Q1811 VanDerWaalsContact O-N 3.14Å; S1809-Q1811 PolarHBondContact OG-N 2.69Å; S1809-D1812 WeakPolarHBondContact CB-OD2 3.47Å; S1809-D1812 PolarHBondContact O-N 2.87Å; S1809-D1812 PolarHBondContact OG-N 2.89Å; S1809-D1812 VanDerWaalsContact OG-N 3.08Å; S1809-D1812 PolarHBondContact OG-OD2 3.26Å; S1809-M1813 PolarHBondContact O-N 2.92Å |
| 1810 | D | 88.9 | Confident | 90 | Very high | 90 Ų | 90 | 67 Ų | 67 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58 | -25.1 | 171.7 | -78.5 | -34.8 | 0 | 0 | 0 | 111.8 | K1406 Y1699 N1814 | K1406-D1810 IonicContact NZ-OD1 3.28Å; K1406-D1810 PolarHBondContact NZ-OD1 2.88Å; Y1699-D1810 VanDerWaalsContact CE2-OD1 3.3Å; Y1699-D1810 WeakPolarHBondContact CE2-OD1 3.43Å; Y1699-D1810 PolarHBondContact OH-OD1 2.92Å; D1810-N1814 WeakPolarHBondContact O-CB 3.28Å; D1810-N1814 PolarHBondContact O-N 2.96Å; D1810-N1814 PolarHBondContact O-ND2 3.41Å |
| 1811 | Q | 90.1 | Very high | 90 | Very high | 164 Ų | 164 | 65.5 Ų | 65.5 | 77% | 0.766 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -71.9 | -46.9 | 176.1 | -65 | -175.7 | -0 | 0 | 0 | 111.7 | S1809 N1814 A1815 | S1809-Q1811 PolarHBondContact O-N 3Å; S1809-Q1811 VanDerWaalsContact O-N 3.14Å; S1809-Q1811 PolarHBondContact OG-N 2.69Å; Q1811-N1814 PolarHBondContact O-N 3.22Å; Q1811-A1815 WeakPolarHBondContact O-CB 3.31Å; Q1811-A1815 PolarHBondContact O-N 2.81Å |
| 1812 | D | 88.8 | Confident | 90 | Very high | 96 Ų | 96 | 70.6 Ų | 70.6 | 51% | 0.513 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 179.3 | -56.9 | -53.8 | 0 | 0 | 0 | 111.2 | I1808 S1809 A1815 F1816 | I1808-D1812 HydrophobicContact CG2-CB 4.29Å; S1809-D1812 WeakPolarHBondContact CB-OD2 3.47Å; S1809-D1812 PolarHBondContact O-N 2.87Å; S1809-D1812 PolarHBondContact OG-N 2.89Å; S1809-D1812 VanDerWaalsContact OG-N 3.08Å; S1809-D1812 PolarHBondContact OG-OD2 3.26Å; D1812-A1815 PolarHBondContact O-N 3.05Å; D1812-F1816 PolarHBondContact O-N 3.22Å |
| 1813 | M | 92.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.6 | -41.7 | 176.9 | -166.2 | 66.2 | -164.9 | 0 | 0 | 111.5 | W1441 L1445 L1695 C1696 Y1699 I1808 S1809 A1815 F1816 L1817 | W1441-M1813 HydrophobicContact CH2-CE 4.17Å; W1441-M1813 HydrophobicContact CZ2-CE 3.85Å; L1445-M1813 HydrophobicContact CD1-CE 4.11Å; L1695-M1813 HydrophobicContact CB-SD 4.09Å; C1696-M1813 HydrophobicContact CB-CE 3.83Å; Y1699-M1813 HydrophobicContact CD1-CE 4.38Å; Y1699-M1813 HydrophobicContact CD1-CG 3.72Å; Y1699-M1813 HydrophobicContact CD1-SD 4.24Å; Y1699-M1813 HydrophobicContact CD2-CB 3.83Å; Y1699-M1813 HydrophobicContact CD2-CG 3.81Å; Y1699-M1813 HydrophobicContact CD2-SD 4.47Å; Y1699-M1813 HydrophobicContact CE1-CG 3.84Å; Y1699-M1813 HydrophobicContact CE2-CB 3.77Å; Y1699-M1813 HydrophobicContact CE2-CG 3.94Å; Y1699-M1813 HydrophobicContact CG-CB 4.24Å; Y1699-M1813 HydrophobicContact CG-CG 3.69Å; Y1699-M1813 HydrophobicContact CG-SD 3.99Å; I1808-M1813 HydrophobicContact CG2-CB 4.05Å; S1809-M1813 PolarHBondContact O-N 2.92Å; M1813-A1815 VanDerWaalsContact C-N 3.34Å; M1813-A1815 PolarHBondContact O-N 2.81Å; M1813-F1816 HydrophobicContact CE-CD1 3.78Å; M1813-F1816 HydrophobicContact CE-CE1 4.17Å; M1813-F1816 PolarHBondContact O-N 2.68Å; M1813-F1816 HydrophobicContact SD-CD1 4.09Å; M1813-L1817 HydrophobicContact CE-CD1 4.24Å; M1813-L1817 HydrophobicContact CE-CD2 3.91Å; M1813-L1817 HydrophobicContact CE-CG 3.98Å; M1813-L1817 HydrophobicContact CG-CD1 3.89Å; M1813-L1817 HydrophobicContact CG-CG 4.32Å; M1813-L1817 WeakPolarHBondContact O-CB 3.42Å; M1813-L1817 WeakPolarHBondContact O-CD1 3.33Å; M1813-L1817 WeakPolarHBondContact O-CG 3.38Å; M1813-L1817 PolarHBondContact O-N 3.1Å |
| 1814 | N | 92.2 | Very high | 89.6 | Confident | 62 Ų | 62 | 69.7 Ų | 69.7 | 33% | 0.332 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 174.7 | -77.1 | -40.6 | 0 | 0 | 0 | 112.2 | D1810 Q1811 L1817 V1818 | D1810-N1814 WeakPolarHBondContact O-CB 3.28Å; D1810-N1814 PolarHBondContact O-N 2.96Å; D1810-N1814 PolarHBondContact O-ND2 3.41Å; Q1811-N1814 PolarHBondContact O-N 3.22Å; N1814-L1817 PolarHBondContact O-N 3.02Å; N1814-V1818 WeakPolarHBondContact O-CB 3.39Å; N1814-V1818 VanDerWaalsContact O-CG2 3.26Å; N1814-V1818 WeakPolarHBondContact O-CG2 3.47Å; N1814-V1818 PolarHBondContact O-N 2.96Å |
| 1815 | A | 90.9 | Very high | 89.2 | Confident | 64 Ų | 64 | 67 Ų | 67 | 53% | 0.529 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q1811 D1812 M1813 E1819 | Q1811-A1815 WeakPolarHBondContact O-CB 3.31Å; Q1811-A1815 PolarHBondContact O-N 2.81Å; D1812-A1815 PolarHBondContact O-N 3.05Å; M1813-A1815 VanDerWaalsContact C-N 3.34Å; M1813-A1815 PolarHBondContact O-N 2.81Å; A1815-E1819 WeakPolarHBondContact O-CB 3.02Å; A1815-E1819 PolarHBondContact O-N 3.36Å; A1815-E1819 VanDerWaalsContact O-N 3.09Å |
| 1816 | F | 91.7 | Very high | 88.7 | Confident | 45 Ų | 45 | 69.2 Ų | 69.2 | 20% | 0.197 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61 | -47.9 | 173.3 | 174.6 | -108.8 | 0 | 0 | 0 | 112.1 | L1445 L1695 D1812 M1813 V1818 E1819 E1820 | L1445-F1816 HydrophobicContact CB-CE1 4.45Å; L1445-F1816 HydrophobicContact CD1-CE1 4.48Å; L1445-F1816 HydrophobicContact CD2-CE1 4.04Å; L1695-F1816 HydrophobicContact CD1-CB 4.17Å; L1695-F1816 HydrophobicContact CD1-CD2 4.25Å; L1695-F1816 HydrophobicContact CD1-CG 4.08Å; D1812-F1816 PolarHBondContact O-N 3.22Å; M1813-F1816 HydrophobicContact CE-CD1 3.78Å; M1813-F1816 HydrophobicContact CE-CE1 4.17Å; M1813-F1816 PolarHBondContact O-N 2.68Å; M1813-F1816 HydrophobicContact SD-CD1 4.09Å; F1816-V1818 PolarHBondContact O-N 2.93Å; F1816-E1819 PolarHBondContact O-N 2.88Å; F1816-E1820 HydrophobicContact CD1-CG 4.43Å; F1816-E1820 HydrophobicContact CD2-CG 4.17Å; F1816-E1820 HydrophobicContact CE1-CG 4.03Å; F1816-E1820 HydrophobicContact CE2-CG 3.72Å; F1816-E1820 WeakPolarHBondContact CE2-OE1 3.04Å; F1816-E1820 HydrophobicContact CG-CG 4.5Å; F1816-E1820 HydrophobicContact CZ-CG 3.64Å; F1816-E1820 WeakPolarHBondContact O-CG 3.44Å; F1816-E1820 PolarHBondContact O-N 2.84Å |
| 1817 | L | 92.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64 | -38 | -179.6 | -68.4 | 163.6 | 0 | 0 | 0 | 113 | M1398 D1399 T1402 L1445 M1813 N1814 S1821 | M1398-L1817 HydrophobicContact CB-CB 4.07Å; M1398-L1817 HydrophobicContact CB-CD2 3.91Å; M1398-L1817 HydrophobicContact CE-CD2 4.48Å; D1399-L1817 HydrophobicContact CB-CB 4.48Å; T1402-L1817 HydrophobicContact CG2-CD1 4.03Å; T1402-L1817 VanDerWaalsContact OG1-CD1 3.27Å; T1402-L1817 WeakPolarHBondContact OG1-CD1 3.39Å; L1445-L1817 HydrophobicContact CD1-CD2 3.66Å; L1445-L1817 HydrophobicContact CD2-CD2 3.93Å; L1445-L1817 HydrophobicContact CG-CD2 4.45Å; M1813-L1817 HydrophobicContact CE-CD1 4.24Å; M1813-L1817 HydrophobicContact CE-CD2 3.91Å; M1813-L1817 HydrophobicContact CE-CG 3.98Å; M1813-L1817 HydrophobicContact CG-CD1 3.89Å; M1813-L1817 HydrophobicContact CG-CG 4.32Å; M1813-L1817 WeakPolarHBondContact O-CB 3.42Å; M1813-L1817 WeakPolarHBondContact O-CD1 3.33Å; M1813-L1817 WeakPolarHBondContact O-CG 3.38Å; M1813-L1817 PolarHBondContact O-N 3.1Å; N1814-L1817 PolarHBondContact O-N 3.02Å; L1817-S1821 WeakPolarHBondContact O-CB 3.44Å; L1817-S1821 PolarHBondContact O-N 2.97Å; L1817-S1821 PolarHBondContact O-OG 2.8Å |
| 1818 | V | 91.9 | Very high | 87.9 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -39.4 | 174.5 | 167.6 | 0 | 0 | 0 | 0 | 110.8 | D1399 N1814 F1816 S1821 R1822 | D1399-V1818 HydrophobicContact CB-CG2 4.16Å; N1814-V1818 WeakPolarHBondContact O-CB 3.39Å; N1814-V1818 VanDerWaalsContact O-CG2 3.26Å; N1814-V1818 WeakPolarHBondContact O-CG2 3.47Å; N1814-V1818 PolarHBondContact O-N 2.96Å; F1816-V1818 PolarHBondContact O-N 2.93Å; V1818-S1821 PolarHBondContact O-N 3.18Å; V1818-R1822 VanDerWaalsContact O-CB 3.32Å; V1818-R1822 WeakPolarHBondContact O-CB 3.1Å; V1818-R1822 PolarHBondContact O-N 3.14Å |
| 1819 | E | 89.7 | Confident | 87.5 | Confident | 67 Ų | 67 | 60.5 Ų | 60.5 | 31% | 0.313 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 178 | 179.4 | 55 | -159.2 | 0 | 0 | 112.2 | A1815 F1816 S1821 R1822 Q1823 | A1815-E1819 WeakPolarHBondContact O-CB 3.02Å; A1815-E1819 PolarHBondContact O-N 3.36Å; A1815-E1819 VanDerWaalsContact O-N 3.09Å; F1816-E1819 PolarHBondContact O-N 2.88Å; E1819-S1821 VanDerWaalsContact C-N 3.34Å; E1819-S1821 PolarHBondContact O-N 3.42Å; E1819-R1822 VanDerWaalsContact CD-NH2 3.34Å; E1819-R1822 WeakPolarHBondContact O-CB 3.03Å; E1819-R1822 PolarHBondContact O-N 2.96Å; E1819-R1822 VanDerWaalsContact O-N 3.13Å; E1819-R1822 IonicContact OE1-CZ 2.73Å; E1819-R1822 IonicContact OE1-NE 3.53Å; E1819-R1822 IonicContact OE1-NH2 2.96Å; E1819-R1822 PolarHBondContact OE1-NH2 2.87Å; E1819-R1822 IonicContact OE2-CZ 2.65Å; E1819-R1822 IonicContact OE2-NE 3.11Å; E1819-R1822 PolarHBondContact OE2-NE 3.38Å; E1819-R1822 IonicContact OE2-NH2 3.05Å; E1819-R1822 PolarHBondContact OE2-NH2 3.38Å; E1819-Q1823 WeakPolarHBondContact O-CG 3.16Å; E1819-Q1823 PolarHBondContact O-N 3.41Å; E1819-Q1823 PolarHBondContact OE1-NE2 2.77Å |
| 1820 | E | 88 | Confident | 87.3 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 172.9 | -65.7 | -75 | 132.2 | 0 | 0 | 111.5 | L1445 F1816 R1822 Q1823 H1824 | L1445-E1820 HydrophobicContact CD2-CB 4.14Å; L1445-E1820 HydrophobicContact CD2-CG 4.02Å; F1816-E1820 HydrophobicContact CD1-CG 4.43Å; F1816-E1820 HydrophobicContact CD2-CG 4.17Å; F1816-E1820 HydrophobicContact CE1-CG 4.03Å; F1816-E1820 HydrophobicContact CE2-CG 3.72Å; F1816-E1820 WeakPolarHBondContact CE2-OE1 3.04Å; F1816-E1820 HydrophobicContact CG-CG 4.5Å; F1816-E1820 HydrophobicContact CZ-CG 3.64Å; F1816-E1820 WeakPolarHBondContact O-CG 3.44Å; F1816-E1820 PolarHBondContact O-N 2.84Å; E1820-R1822 VanDerWaalsContact C-N 3.27Å; E1820-R1822 PolarHBondContact O-N 3.17Å; E1820-Q1823 PolarHBondContact O-N 3.43Å; E1820-H1824 PolarHBondContact O-N 3.3Å |
| 1821 | S | 90.1 | Very high | 87.1 | Confident | 6 Ų | 6 | 56.4 Ų | 56.4 | 4% | 0.042 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.8 | -35.4 | 174.1 | -55.6 | 0 | 0 | 0 | 0 | 112.4 | H1395 M1398 L1817 V1818 E1819 L1825 | H1395-S1821 PolarHBondContact O-OG 3.11Å; M1398-S1821 VanDerWaalsContact CB-OG 3.28Å; M1398-S1821 WeakPolarHBondContact CB-OG 3.31Å; M1398-S1821 PolarHBondContact N-OG 2.79Å; L1817-S1821 WeakPolarHBondContact O-CB 3.44Å; L1817-S1821 PolarHBondContact O-N 2.97Å; L1817-S1821 PolarHBondContact O-OG 2.8Å; V1818-S1821 PolarHBondContact O-N 3.18Å; E1819-S1821 VanDerWaalsContact C-N 3.34Å; E1819-S1821 PolarHBondContact O-N 3.42Å; S1821-L1825 PolarHBondContact O-N 3.19Å |
| 1822 | R | 89.8 | Confident | 86.7 | Confident | 153 Ų | 153 | 48.8 Ų | 48.8 | 58% | 0.577 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -75.1 | -35.5 | 179.4 | -169.8 | -169 | 70.6 | 74.3 | 0.9 | 112 | V1818 E1819 E1820 | V1818-R1822 VanDerWaalsContact O-CB 3.32Å; V1818-R1822 WeakPolarHBondContact O-CB 3.1Å; V1818-R1822 PolarHBondContact O-N 3.14Å; E1819-R1822 VanDerWaalsContact CD-NH2 3.34Å; E1819-R1822 WeakPolarHBondContact O-CB 3.03Å; E1819-R1822 PolarHBondContact O-N 2.96Å; E1819-R1822 VanDerWaalsContact O-N 3.13Å; E1819-R1822 IonicContact OE1-CZ 2.73Å; E1819-R1822 IonicContact OE1-NE 3.53Å; E1819-R1822 IonicContact OE1-NH2 2.96Å; E1819-R1822 PolarHBondContact OE1-NH2 2.87Å; E1819-R1822 IonicContact OE2-CZ 2.65Å; E1819-R1822 IonicContact OE2-NE 3.11Å; E1819-R1822 PolarHBondContact OE2-NE 3.38Å; E1819-R1822 IonicContact OE2-NH2 3.05Å; E1819-R1822 PolarHBondContact OE2-NH2 3.38Å; E1820-R1822 VanDerWaalsContact C-N 3.27Å; E1820-R1822 PolarHBondContact O-N 3.17Å |
| 1823 | Q | 86.6 | Confident | 86.5 | Confident | 86 Ų | 86 | 44.2 Ų | 44.2 | 40% | 0.402 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.8 | -36 | 179.2 | -74.9 | 178 | 27.2 | 0 | 0 | 112.4 | E1819 E1820 | E1819-Q1823 WeakPolarHBondContact O-CG 3.16Å; E1819-Q1823 PolarHBondContact O-N 3.41Å; E1819-Q1823 PolarHBondContact OE1-NE2 2.77Å; E1820-Q1823 PolarHBondContact O-N 3.43Å |
| 1824 | H | 84.5 | Confident | 86.3 | Confident | 20 Ų | 20 | 44.2 Ų | 44.2 | 9% | 0.093 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -106.7 | 15 | -176 | -62.6 | -56.8 | 0 | 0 | 0 | 114.6 | Y1318 H1395 E1820 S1826 E1827 | Y1318-H1824 HydrophobicContact CD1-CB 4Å; Y1318-H1824 AromaticContact CD1-CE1 3.89Å; Y1318-H1824 AromaticContact CD1-CG 3.61Å; Y1318-H1824 AromaticContact CD1-ND1 3.34Å; Y1318-H1824 VanDerWaalsContact CD1-ND1 3.34Å; Y1318-H1824 WeakPolarHBondContact CD1-ND1 3.45Å; Y1318-H1824 AromaticContact CD2-CD2 3.97Å; Y1318-H1824 AromaticContact CD2-CE1 3.5Å; Y1318-H1824 VanDerWaalsContact CD2-CE1 3.5Å; Y1318-H1824 WeakPolarHBondContact CD2-CE1 3.47Å; Y1318-H1824 AromaticContact CD2-ND1 3.8Å; Y1318-H1824 AromaticContact CD2-NE2 3.59Å; Y1318-H1824 HydrophobicContact CE1-CB 3.46Å; Y1318-H1824 VanDerWaalsContact CE1-CB 3.46Å; Y1318-H1824 AromaticContact CE1-CD2 3.94Å; Y1318-H1824 AromaticContact CE1-CG 3.37Å; Y1318-H1824 AromaticContact CE1-ND1 3.65Å; Y1318-H1824 AromaticContact CE2-CD2 3.57Å; Y1318-H1824 AromaticContact CE2-CE1 3.92Å; Y1318-H1824 AromaticContact CE2-CG 3.86Å; Y1318-H1824 AromaticContact CE2-NE2 3.61Å; Y1318-H1824 AromaticContact CG-CE1 3.44Å; Y1318-H1824 VanDerWaalsContact CG-CE1 3.44Å; Y1318-H1824 AromaticContact CG-CG 3.94Å; Y1318-H1824 AromaticContact CG-ND1 3.39Å; Y1318-H1824 AromaticContact CG-NE2 4Å; Y1318-H1824 AromaticContact CZ-CD2 3.52Å; Y1318-H1824 AromaticContact CZ-CG 3.47Å; Y1318-H1824 VanDerWaalsContact CZ-CG 3.47Å; Y1318-H1824 AromaticContact CZ-ND1 3.97Å; H1395-H1824 PolarHBondContact NE2-O 3.22Å; E1820-H1824 PolarHBondContact O-N 3.3Å; H1824-S1826 PolarHBondContact O-N 2.85Å; H1824-E1827 IonicContact CE1-OE1 2.81Å; H1824-E1827 IonicContact CG-OE1 3.96Å; H1824-E1827 IonicContact ND1-OE1 2.85Å; H1824-E1827 PolarHBondContact ND1-OE1 2.78Å; H1824-E1827 PolarHBondContact O-N 2.97Å |
| 1825 | L | 82.3 | Confident | 86 | Confident | 92 Ų | 92 | 43 Ų | 43 | 48% | 0.482 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | 137.1 | 178.7 | -156.3 | 97.2 | 0 | 0 | 0 | 110.7 | E1396 S1821 E1827 | E1396-L1825 HydrophobicContact CB-CD1 4.03Å; E1396-L1825 HydrophobicContact CG-CD1 3.81Å; E1396-L1825 HydrophobicContact CG-CG 4.21Å; S1821-L1825 PolarHBondContact O-N 3.19Å; L1825-E1827 PolarHBondContact O-N 2.9Å |
| 1826 | S | 78.2 | Confident | 85.8 | Confident | 100 Ų | 100 | 42 Ų | 42 | 70% | 0.699 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.6 | 7.2 | -178.4 | 72.7 | 0 | 0 | 0 | 0 | 118.3 | E1396 H1824 L1828 | E1396-S1826 PolarHBondContact OE1-N 2.98Å; E1396-S1826 VanDerWaalsContact OE1-N 3.11Å; H1824-S1826 PolarHBondContact O-N 2.85Å; S1826-L1828 VanDerWaalsContact C-N 3.34Å; S1826-L1828 PolarHBondContact O-N 3.27Å |
| 1827 | E | 78.3 | Confident | 85.8 | Confident | 54 Ų | 54 | 39.9 Ų | 39.9 | 25% | 0.252 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -69.4 | -30.1 | 175.3 | -76 | -159.8 | -128.9 | 0 | 0 | 113.3 | Y1318 K1319 H1824 L1825 | Y1318-E1827 HydrophobicContact CD1-CB 4.49Å; Y1318-E1827 WeakPolarHBondContact CD1-OE2 3.4Å; K1319-E1827 VanDerWaalsContact CD-O 3.29Å; K1319-E1827 WeakPolarHBondContact CD-O 3.38Å; K1319-E1827 VanDerWaalsContact CE-O 3.26Å; K1319-E1827 WeakPolarHBondContact CE-O 3.48Å; K1319-E1827 PolarHBondContact N-OE2 3.33Å; K1319-E1827 PolarHBondContact NZ-O 3.15Å; K1319-E1827 VanDerWaalsContact NZ-O 3.09Å; H1824-E1827 IonicContact CE1-OE1 2.81Å; H1824-E1827 IonicContact CG-OE1 3.96Å; H1824-E1827 IonicContact ND1-OE1 2.85Å; H1824-E1827 PolarHBondContact ND1-OE1 2.78Å; H1824-E1827 PolarHBondContact O-N 2.97Å; L1825-E1827 PolarHBondContact O-N 2.9Å |
| 1828 | L | 79.8 | Confident | 85.7 | Confident | 7 Ų | 7 | 41 Ų | 41 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -113.1 | 141.8 | -176.6 | -53.2 | 174 | 0 | 0 | 0 | 112 | K1319 V1322 L1323 V1392 F1444 S1826 I1830 | K1319-L1828 HydrophobicContact CG-CD2 4.3Å; V1322-L1828 HydrophobicContact CG1-CD1 3.97Å; V1322-L1828 HydrophobicContact CG1-CD2 3.97Å; L1323-L1828 HydrophobicContact CD1-CD2 4.48Å; L1323-L1828 HydrophobicContact CD2-CD2 4.34Å; L1323-L1828 HydrophobicContact CG-CD2 4.26Å; V1392-L1828 HydrophobicContact CG1-CB 4.04Å; V1392-L1828 HydrophobicContact CG1-CD1 4.28Å; V1392-L1828 HydrophobicContact CG2-CD1 4.4Å; F1444-L1828 HydrophobicContact CE1-CD1 4.16Å; F1444-L1828 HydrophobicContact CZ-CD1 4.38Å; S1826-L1828 VanDerWaalsContact C-N 3.34Å; S1826-L1828 PolarHBondContact O-N 3.27Å; L1828-I1830 PolarHBondContact O-N 3.47Å |
| 1829 | D | 79.8 | Confident | 85.5 | Confident | 33 Ų | 33 | 42.4 Ų | 42.4 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | trans | -76.3 | 95.9 | 176.5 | -179.4 | 13.3 | 0 | 0 | 0 | 112.3 | V1335 M1831 G1832 A1833 | V1335-D1829 HydrophobicContact CG1-CB 4.44Å; V1335-D1829 WeakPolarHBondContact O-CB 3.46Å; D1829-M1831 VanDerWaalsContact C-N 3.31Å; D1829-M1831 PolarHBondContact O-N 2.94Å; D1829-M1831 WeakPolarHBondContact OD1-CA 3.43Å; D1829-M1831 WeakPolarHBondContact OD1-CB 3.3Å; D1829-M1831 PolarHBondContact OD1-N 3.05Å; D1829-G1832 PolarHBondContact OD1-N 3.24Å; D1829-G1832 WeakPolarHBondContact OD2-CA 3.39Å; D1829-G1832 PolarHBondContact OD2-N 2.96Å; D1829-G1832 VanDerWaalsContact OD2-N 3.09Å; D1829-A1833 PolarHBondContact O-N 3.05Å; D1829-A1833 VanDerWaalsContact O-N 3.1Å | ||
| 1830 | I | 85.7 | Confident | 85.6 | Confident | 17 Ų | 17 | 41 Ų | 41 | 9% | 0.087 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.6 | -34.5 | 173.7 | -66.5 | 176.7 | 0 | 0 | 0 | 111.7 | I1393 E1396 L1828 A1833 L1834 | I1393-I1830 HydrophobicContact CB-CG2 4.44Å; I1393-I1830 HydrophobicContact CG2-CG2 4.28Å; E1396-I1830 HydrophobicContact CB-CD1 4.41Å; E1396-I1830 HydrophobicContact CG-CD1 3.73Å; E1396-I1830 VanDerWaalsContact OE2-CD1 3.25Å; E1396-I1830 WeakPolarHBondContact OE2-CD1 3.41Å; L1828-I1830 PolarHBondContact O-N 3.47Å; I1830-A1833 PolarHBondContact O-N 2.95Å; I1830-L1834 HydrophobicContact CG2-CD1 3.69Å; I1830-L1834 HydrophobicContact CG2-CG 4.09Å; I1830-L1834 WeakPolarHBondContact O-CB 3.25Å; I1830-L1834 WeakPolarHBondContact O-CG 3.01Å; I1830-L1834 PolarHBondContact O-N 3.28Å |
| 1831 | M | 84.3 | Confident | 85.7 | Confident | 32 Ų | 32 | 40.4 Ų | 40.4 | 16% | 0.158 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -72.8 | -40.2 | -177.3 | -63.9 | -65.5 | -76.8 | 0 | 0 | 111 | L1342 E1349 L1352 R1353 D1829 L1834 N1835 | L1342-M1831 HydrophobicContact CD1-CB 4.41Å; L1342-M1831 HydrophobicContact CD1-CE 4.15Å; E1349-M1831 HydrophobicContact CG-CE 3.65Å; L1352-M1831 HydrophobicContact CB-CE 3.58Å; L1352-M1831 HydrophobicContact CB-SD 4.24Å; L1352-M1831 HydrophobicContact CD1-CE 3.99Å; L1352-M1831 HydrophobicContact CG-CE 4.46Å; R1353-M1831 HydrophobicContact CG-CE 4.21Å; D1829-M1831 VanDerWaalsContact C-N 3.31Å; D1829-M1831 PolarHBondContact O-N 2.94Å; D1829-M1831 WeakPolarHBondContact OD1-CA 3.43Å; D1829-M1831 WeakPolarHBondContact OD1-CB 3.3Å; D1829-M1831 PolarHBondContact OD1-N 3.05Å; M1831-L1834 PolarHBondContact O-N 2.94Å; M1831-L1834 HydrophobicContact SD-CD1 4.04Å; M1831-N1835 WeakPolarHBondContact O-CB 3.45Å; M1831-N1835 PolarHBondContact O-N 3.36Å |
| 1832 | G | 81.3 | Confident | 85.7 | Confident | 4 Ų | 4 | 43 Ų | 43 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58 | -45 | 167.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1829 N1835 E1836 | D1829-G1832 PolarHBondContact OD1-N 3.24Å; D1829-G1832 WeakPolarHBondContact OD2-CA 3.39Å; D1829-G1832 PolarHBondContact OD2-N 2.96Å; D1829-G1832 VanDerWaalsContact OD2-N 3.09Å; G1832-N1835 PolarHBondContact O-N 3.03Å; G1832-E1836 PolarHBondContact O-N 2.96Å; G1832-E1836 VanDerWaalsContact O-N 3.12Å |
| 1833 | A | 85 | Confident | 85.7 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.7 | -39.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1335 L1389 V1392 I1393 D1829 I1830 N1835 E1836 L1837 | V1335-A1833 HydrophobicContact CG2-CB 4.13Å; L1389-A1833 HydrophobicContact CD2-CB 4.07Å; V1392-A1833 HydrophobicContact CB-CB 4.01Å; V1392-A1833 HydrophobicContact CG1-CB 3.59Å; I1393-A1833 HydrophobicContact CG2-CB 3.62Å; D1829-A1833 PolarHBondContact O-N 3.05Å; D1829-A1833 VanDerWaalsContact O-N 3.1Å; I1830-A1833 PolarHBondContact O-N 2.95Å; A1833-N1835 VanDerWaalsContact C-N 3.33Å; A1833-N1835 PolarHBondContact O-N 3.05Å; A1833-E1836 PolarHBondContact O-N 2.04Å; A1833-L1837 WeakPolarHBondContact O-CG 3.21Å; A1833-L1837 PolarHBondContact O-N 3.31Å |
| 1834 | L | 89 | Confident | 85.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -37 | 173.9 | -75.1 | 165.7 | 0 | 0 | 0 | 112 | L1352 L1355 N1356 F1359 I1393 I1830 M1831 L1837 Y1838 | L1352-L1834 HydrophobicContact CD2-CB 4.04Å; L1355-L1834 HydrophobicContact CD2-CD2 4.48Å; L1355-L1834 HydrophobicContact CG-CD2 4.36Å; N1356-L1834 HydrophobicContact CB-CD1 3.69Å; N1356-L1834 HydrophobicContact CB-CD2 4.13Å; F1359-L1834 HydrophobicContact CD2-CD2 3.7Å; F1359-L1834 HydrophobicContact CE2-CD2 4.09Å; I1393-L1834 HydrophobicContact CB-CD2 4.37Å; I1393-L1834 HydrophobicContact CD1-CD2 4.1Å; I1393-L1834 HydrophobicContact CG2-CD2 3.92Å; I1393-L1834 HydrophobicContact CG2-CG 3.77Å; I1830-L1834 HydrophobicContact CG2-CD1 3.69Å; I1830-L1834 HydrophobicContact CG2-CG 4.09Å; I1830-L1834 WeakPolarHBondContact O-CB 3.25Å; I1830-L1834 WeakPolarHBondContact O-CG 3.01Å; I1830-L1834 PolarHBondContact O-N 3.28Å; M1831-L1834 PolarHBondContact O-N 2.94Å; M1831-L1834 HydrophobicContact SD-CD1 4.04Å; L1834-L1837 PolarHBondContact O-N 2.89Å; L1834-Y1838 WeakPolarHBondContact O-CB 3.22Å; L1834-Y1838 PolarHBondContact O-N 3.31Å |
| 1835 | N | 86.5 | Confident | 86 | Confident | 36 Ų | 36 | 39.8 Ų | 39.8 | 19% | 0.193 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.3 | -43.6 | 175.1 | -178.2 | 37.5 | 0 | 0 | 0 | 111.7 | L1340 F1348 L1352 M1831 G1832 A1833 Y1838 K1839 | L1340-N1835 HydrophobicContact CD1-CB 4.3Å; F1348-N1835 WeakPolarHBondContact CZ-OD1 3.33Å; L1352-N1835 HydrophobicContact CD1-CB 4.3Å; L1352-N1835 HydrophobicContact CD2-CB 4.3Å; M1831-N1835 WeakPolarHBondContact O-CB 3.45Å; M1831-N1835 PolarHBondContact O-N 3.36Å; G1832-N1835 PolarHBondContact O-N 3.03Å; A1833-N1835 VanDerWaalsContact C-N 3.33Å; A1833-N1835 PolarHBondContact O-N 3.05Å; N1835-Y1838 PolarHBondContact O-N 3.08Å; N1835-K1839 PolarHBondContact O-N 3.12Å |
| 1836 | E | 86.6 | Confident | 86.2 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 20% | 0.201 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65 | -38.9 | 173.5 | -67.6 | -57.3 | 136.4 | 0 | 0 | 112.2 | L1389 G1832 A1833 K1839 Y1840 | L1389-E1836 HydrophobicContact CD1-CB 3.69Å; L1389-E1836 HydrophobicContact CD2-CB 3.87Å; L1389-E1836 HydrophobicContact CD2-CG 4.44Å; L1389-E1836 HydrophobicContact CG-CB 4.45Å; G1832-E1836 PolarHBondContact O-N 2.96Å; G1832-E1836 VanDerWaalsContact O-N 3.12Å; A1833-E1836 PolarHBondContact O-N 2.04Å; E1836-K1839 WeakPolarHBondContact O-CB 3.38Å; E1836-K1839 PolarHBondContact O-N 2.03Å; E1836-K1839 WeakPolarHBondContact OE1-CE 3.45Å; E1836-K1839 IonicContact OE1-NZ 2.69Å; E1836-K1839 PolarHBondContact OE1-NZ 3.33Å; E1836-K1839 WeakPolarHBondContact OE2-CE 3.01Å; E1836-K1839 IonicContact OE2-NZ 3.3Å; E1836-K1839 PolarHBondContact OE2-NZ 2.03Å; E1836-Y1840 WeakPolarHBondContact O-CD2 3.47Å |
| 1837 | L | 90.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.5 | -34.8 | 173.2 | -75.3 | 168.8 | 0 | 0 | 0 | 113 | F1359 F1368 V1386 L1389 L1390 I1393 A1833 L1834 K1839 Y1840 V1841 | F1359-L1837 HydrophobicContact CE2-CB 4.13Å; F1359-L1837 HydrophobicContact CE2-CD1 4.23Å; F1359-L1837 HydrophobicContact CZ-CB 4.17Å; F1359-L1837 HydrophobicContact CZ-CD1 4.4Å; F1368-L1837 HydrophobicContact CE1-CD2 4.44Å; V1386-L1837 HydrophobicContact CG1-CD2 4.06Å; L1389-L1837 HydrophobicContact CB-CD1 4.18Å; L1389-L1837 HydrophobicContact CB-CD2 3.76Å; L1389-L1837 HydrophobicContact CB-CG 3.78Å; L1389-L1837 HydrophobicContact CD1-CD2 4.4Å; L1389-L1837 HydrophobicContact CD1-CG 4.44Å; L1390-L1837 HydrophobicContact CD2-CD1 4.03Å; L1390-L1837 HydrophobicContact CD2-CD2 4.07Å; L1390-L1837 HydrophobicContact CG-CD2 4.16Å; I1393-L1837 HydrophobicContact CB-CD1 4.39Å; I1393-L1837 HydrophobicContact CD1-CD1 3.5Å; I1393-L1837 VanDerWaalsContact CD1-CD1 3.5Å; I1393-L1837 HydrophobicContact CG1-CD1 3.72Å; I1393-L1837 HydrophobicContact CG2-CD1 3.76Å; A1833-L1837 WeakPolarHBondContact O-CG 3.21Å; A1833-L1837 PolarHBondContact O-N 3.31Å; L1834-L1837 PolarHBondContact O-N 2.89Å; L1837-K1839 PolarHBondContact O-N 3.45Å; L1837-Y1840 WeakPolarHBondContact O-CB 3.06Å; L1837-Y1840 PolarHBondContact O-N 2.92Å; L1837-V1841 PolarHBondContact O-N 2.8Å |
| 1838 | Y | 91.1 | Very high | 87.4 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 9% | 0.09 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -31.8 | 177.8 | -177.5 | -107.2 | 0 | 0 | 0 | 112 | L1355 L1834 N1835 Y1840 V1841 D1842 V1870 M1874 | L1355-Y1838 HydrophobicContact CD2-CD2 3.92Å; L1355-Y1838 HydrophobicContact CD2-CG 4.29Å; L1834-Y1838 WeakPolarHBondContact O-CB 3.22Å; L1834-Y1838 PolarHBondContact O-N 3.31Å; N1835-Y1838 PolarHBondContact O-N 3.08Å; Y1838-Y1840 VanDerWaalsContact C-N 3.25Å; Y1838-Y1840 PolarHBondContact O-N 3.02Å; Y1838-V1841 HydrophobicContact CD2-CB 4.21Å; Y1838-V1841 HydrophobicContact CD2-CG1 4.35Å; Y1838-V1841 HydrophobicContact CE2-CG1 4.48Å; Y1838-V1841 CarbonylContact O-C 3.55Å; Y1838-V1841 PolarHBondContact O-N 2.83Å; Y1838-V1841 VanDerWaalsContact O-N 3.09Å; Y1838-D1842 HydrophobicContact CE1-CB 4.22Å; Y1838-D1842 WeakPolarHBondContact O-CB 3.07Å; Y1838-D1842 PolarHBondContact O-N 3.33Å; Y1838-V1870 HydrophobicContact CD2-CG1 4.28Å; Y1838-V1870 HydrophobicContact CE2-CG1 3.96Å; Y1838-M1874 HydrophobicContact CD1-CE 3.51Å; Y1838-M1874 HydrophobicContact CD1-CG 4.49Å; Y1838-M1874 HydrophobicContact CD2-CE 4.27Å; Y1838-M1874 HydrophobicContact CD2-CG 4.32Å; Y1838-M1874 HydrophobicContact CE1-CB 3.79Å; Y1838-M1874 HydrophobicContact CE1-CE 3.89Å; Y1838-M1874 HydrophobicContact CE1-CG 4.07Å; Y1838-M1874 HydrophobicContact CE2-CB 4.21Å; Y1838-M1874 HydrophobicContact CE2-CG 3.86Å; Y1838-M1874 HydrophobicContact CG-CE 3.73Å; Y1838-M1874 WeakPolarHBondContact OH-CB 3.29Å |
| 1839 | K | 89.3 | Confident | 87.8 | Confident | 105 Ų | 105 | 39.7 Ų | 39.7 | 46% | 0.457 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.1 | -38.2 | 173.6 | -59.8 | 176.1 | -170.8 | 170.6 | 0 | 112.1 | N1835 E1836 L1837 Q1843 | N1835-K1839 PolarHBondContact O-N 3.12Å; E1836-K1839 WeakPolarHBondContact O-CB 3.38Å; E1836-K1839 PolarHBondContact O-N 2.03Å; E1836-K1839 WeakPolarHBondContact OE1-CE 3.45Å; E1836-K1839 IonicContact OE1-NZ 2.69Å; E1836-K1839 PolarHBondContact OE1-NZ 3.33Å; E1836-K1839 WeakPolarHBondContact OE2-CE 3.01Å; E1836-K1839 IonicContact OE2-NZ 3.3Å; E1836-K1839 PolarHBondContact OE2-NZ 2.03Å; L1837-K1839 PolarHBondContact O-N 3.45Å; K1839-Q1843 VanDerWaalsContact O-CB 3.22Å; K1839-Q1843 WeakPolarHBondContact O-CB 3.3Å; K1839-Q1843 PolarHBondContact O-N 3.23Å |
| 1840 | Y | 90.6 | Very high | 88.2 | Confident | 37 Ų | 37 | 40.4 Ų | 40.4 | 15% | 0.145 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.8 | -39.4 | 173.9 | -61.1 | -87.9 | 0 | 0 | 0 | 111.4 | F1378 D1382 V1386 L1389 E1836 L1837 Y1838 D1842 Q1843 Y1844 | F1378-Y1840 HydrophobicContact CE2-CD1 4.11Å; F1378-Y1840 HydrophobicContact CE2-CE1 4.01Å; D1382-Y1840 HydrophobicContact CB-CE1 4.37Å; V1386-Y1840 HydrophobicContact CG2-CD1 3.66Å; V1386-Y1840 HydrophobicContact CG2-CD2 3.75Å; V1386-Y1840 HydrophobicContact CG2-CE1 3.52Å; V1386-Y1840 HydrophobicContact CG2-CE2 3.62Å; V1386-Y1840 HydrophobicContact CG2-CG 3.77Å; V1386-Y1840 VanDerWaalsContact CG2-CZ 3.49Å; L1389-Y1840 HydrophobicContact CD1-CE2 4.33Å; E1836-Y1840 WeakPolarHBondContact O-CD2 3.47Å; L1837-Y1840 WeakPolarHBondContact O-CB 3.06Å; L1837-Y1840 PolarHBondContact O-N 2.92Å; Y1838-Y1840 VanDerWaalsContact C-N 3.25Å; Y1838-Y1840 PolarHBondContact O-N 3.02Å; Y1840-D1842 VanDerWaalsContact C-N 3.3Å; Y1840-D1842 PolarHBondContact O-N 2.97Å; Y1840-Q1843 PolarHBondContact O-N 2.8Å; Y1840-Y1844 HydrophobicContact CD1-CE2 4.44Å; Y1840-Y1844 VanDerWaalsContact O-CD2 3.26Å; Y1840-Y1844 WeakPolarHBondContact O-CD2 3.07Å; Y1840-Y1844 PolarHBondContact O-N 2.92Å |
| 1841 | V | 90.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.6 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | L1355 F1359 F1368 L1837 Y1838 K1845 L1848 L1867 | L1355-V1841 HydrophobicContact CD1-CG1 4.44Å; L1355-V1841 HydrophobicContact CD1-CG2 4.16Å; F1359-V1841 HydrophobicContact CZ-CG2 3.87Å; F1368-V1841 HydrophobicContact CD2-CG2 4.11Å; F1368-V1841 HydrophobicContact CE2-CB 4.39Å; F1368-V1841 HydrophobicContact CE2-CG2 3.48Å; F1368-V1841 VanDerWaalsContact CE2-CG2 3.48Å; F1368-V1841 HydrophobicContact CZ-CG2 3.98Å; L1837-V1841 PolarHBondContact O-N 2.8Å; Y1838-V1841 HydrophobicContact CD2-CB 4.21Å; Y1838-V1841 HydrophobicContact CD2-CG1 4.35Å; Y1838-V1841 HydrophobicContact CE2-CG1 4.48Å; Y1838-V1841 CarbonylContact O-C 3.55Å; Y1838-V1841 PolarHBondContact O-N 2.83Å; Y1838-V1841 VanDerWaalsContact O-N 3.09Å; V1841-K1845 VanDerWaalsContact O-CA 3.3Å; V1841-K1845 WeakPolarHBondContact O-CA 3.22Å; V1841-K1845 WeakPolarHBondContact O-CB 3.29Å; V1841-K1845 PolarHBondContact O-N 3.46Å; V1841-K1845 VanDerWaalsContact O-N 3.13Å; V1841-L1848 HydrophobicContact CG1-CD2 4.14Å; V1841-L1867 HydrophobicContact CG1-CD1 3.65Å |
| 1842 | D | 89.7 | Confident | 88.6 | Confident | 62 Ų | 62 | 39.2 Ų | 39.2 | 33% | 0.332 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -71.1 | -44 | 175.6 | -173.2 | 53.9 | 0 | 0 | 0 | 112 | Y1838 Y1840 Y1844 K1845 | Y1838-D1842 HydrophobicContact CE1-CB 4.22Å; Y1838-D1842 WeakPolarHBondContact O-CB 3.07Å; Y1838-D1842 PolarHBondContact O-N 3.33Å; Y1840-D1842 VanDerWaalsContact C-N 3.3Å; Y1840-D1842 PolarHBondContact O-N 2.97Å; D1842-Y1844 VanDerWaalsContact C-N 3.26Å; D1842-Y1844 PolarHBondContact O-N 3.07Å; D1842-K1845 VanDerWaalsContact O-CG 3.25Å; D1842-K1845 WeakPolarHBondContact O-CG 3.37Å; D1842-K1845 PolarHBondContact O-N 2.04Å; D1842-K1845 WeakPolarHBondContact OD1-CD 3.43Å; D1842-K1845 WeakPolarHBondContact OD1-CE 3.41Å; D1842-K1845 IonicContact OD1-NZ 2.89Å; D1842-K1845 PolarHBondContact OD1-NZ 3.24Å |
| 1843 | Q | 89.2 | Confident | 89 | Confident | 123 Ų | 123 | 44.6 Ų | 44.6 | 58% | 0.575 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -58.4 | -34.8 | 177.3 | -177.5 | 179.6 | 15.7 | 0 | 0 | 113.3 | K1839 Y1840 | K1839-Q1843 VanDerWaalsContact O-CB 3.22Å; K1839-Q1843 WeakPolarHBondContact O-CB 3.3Å; K1839-Q1843 PolarHBondContact O-N 3.23Å; Y1840-Q1843 PolarHBondContact O-N 2.8Å |
| 1844 | Y | 89.4 | Confident | 89.1 | Confident | 13 Ų | 13 | 52.2 Ų | 52.2 | 5% | 0.051 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.5 | 19 | -176.6 | -61.8 | -80.6 | 0 | 0 | 0 | 113.2 | L1372 N1375 Y1840 D1842 D1846 Q1847 L1848 | L1372-Y1844 HydrophobicContact CD2-CD1 4.47Å; L1372-Y1844 HydrophobicContact CD2-CD2 3.15Å; L1372-Y1844 HydrophobicContact CD2-CE2 3.42Å; L1372-Y1844 VanDerWaalsContact CD2-CE2 3.42Å; L1372-Y1844 HydrophobicContact CD2-CG 3.75Å; N1375-Y1844 HydrophobicContact CB-CE1 4.03Å; N1375-Y1844 WeakPolarHBondContact ND2-CE1 3.29Å; Y1840-Y1844 HydrophobicContact CD1-CE2 4.44Å; Y1840-Y1844 VanDerWaalsContact O-CD2 3.26Å; Y1840-Y1844 WeakPolarHBondContact O-CD2 3.07Å; Y1840-Y1844 PolarHBondContact O-N 2.92Å; D1842-Y1844 VanDerWaalsContact C-N 3.26Å; D1842-Y1844 PolarHBondContact O-N 3.07Å; Y1844-D1846 PolarHBondContact O-N 3.1Å; Y1844-Q1847 PolarHBondContact O-N 2.95Å; Y1844-L1848 WeakPolarHBondContact O-CB 3.35Å; Y1844-L1848 PolarHBondContact O-N 3.05Å |
| 1845 | K | 87.9 | Confident | 88.8 | Confident | 54 Ų | 54 | 54.6 Ų | 54.6 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -57.1 | -43 | -169 | 61.5 | -172.3 | 168.9 | -165.5 | 0 | 115.4 | V1841 D1842 L1848 A1849 Q1871 E1875 | V1841-K1845 VanDerWaalsContact O-CA 3.3Å; V1841-K1845 WeakPolarHBondContact O-CA 3.22Å; V1841-K1845 WeakPolarHBondContact O-CB 3.29Å; V1841-K1845 PolarHBondContact O-N 3.46Å; V1841-K1845 VanDerWaalsContact O-N 3.13Å; D1842-K1845 VanDerWaalsContact O-CG 3.25Å; D1842-K1845 WeakPolarHBondContact O-CG 3.37Å; D1842-K1845 PolarHBondContact O-N 2.04Å; D1842-K1845 WeakPolarHBondContact OD1-CD 3.43Å; D1842-K1845 WeakPolarHBondContact OD1-CE 3.41Å; D1842-K1845 IonicContact OD1-NZ 2.89Å; D1842-K1845 PolarHBondContact OD1-NZ 3.24Å; K1845-L1848 PolarHBondContact O-N 3.33Å; K1845-A1849 VanDerWaalsContact O-CB 3.28Å; K1845-A1849 WeakPolarHBondContact O-CB 3.24Å; K1845-A1849 PolarHBondContact O-N 3.2Å; K1845-Q1871 VanDerWaalsContact CB-NE2 3.34Å; K1845-E1875 IonicContact NZ-OE1 3.94Å; K1845-E1875 PolarHBondContact NZ-OE1 3.43Å |
| 1846 | D | 87.9 | Confident | 88.8 | Confident | 132 Ų | 132 | 59 Ų | 59 | 71% | 0.706 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.7 | -39.3 | -177.6 | -55 | -42 | 0 | 0 | 0 | 111.5 | Y1844 A1850 | Y1844-D1846 PolarHBondContact O-N 3.1Å; D1846-A1850 WeakPolarHBondContact O-CB 3.41Å; D1846-A1850 PolarHBondContact O-N 2.89Å |
| 1847 | Q | 90.1 | Very high | 88.7 | Confident | 88 Ų | 88 | 62.2 Ų | 62.2 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.9 | -38.9 | 177.5 | -65 | 166.4 | 28.3 | 0 | 0 | 111 | V1371 N1375 Y1844 A1851 | V1371-Q1847 HydrophobicContact CG1-CB 3.7Å; N1375-Q1847 PolarHBondContact ND2-OE1 3.32Å; Y1844-Q1847 PolarHBondContact O-N 2.95Å; Q1847-A1851 WeakPolarHBondContact O-CB 3.24Å; Q1847-A1851 PolarHBondContact O-N 3.06Å |
| 1848 | L | 90.2 | Very high | 88.4 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.9 | -42.6 | 176.3 | -174.7 | 60.5 | 0 | 0 | 0 | 112 | F1364 T1367 F1368 V1371 V1841 Y1844 K1845 A1851 L1852 L1867 | F1364-L1848 HydrophobicContact CE2-CD2 4.03Å; F1364-L1848 HydrophobicContact CZ-CD2 3.92Å; T1367-L1848 HydrophobicContact CG2-CD1 4.14Å; F1368-L1848 HydrophobicContact CB-CD1 4.19Å; F1368-L1848 HydrophobicContact CD2-CD2 4.04Å; V1371-L1848 HydrophobicContact CG2-CD1 4.4Å; V1841-L1848 HydrophobicContact CG1-CD2 4.14Å; Y1844-L1848 WeakPolarHBondContact O-CB 3.35Å; Y1844-L1848 PolarHBondContact O-N 3.05Å; K1845-L1848 PolarHBondContact O-N 3.33Å; L1848-A1851 PolarHBondContact O-N 3.37Å; L1848-L1852 HydrophobicContact CD1-CD1 4.13Å; L1848-L1852 HydrophobicContact CD1-CG 4.35Å; L1848-L1852 HydrophobicContact CG-CD1 3.94Å; L1848-L1852 WeakPolarHBondContact O-CB 3.49Å; L1848-L1852 WeakPolarHBondContact O-CD1 3.37Å; L1848-L1852 WeakPolarHBondContact O-CG 3.31Å; L1848-L1852 PolarHBondContact O-N 3.22Å; L1848-L1867 HydrophobicContact CB-CD2 4.39Å; L1848-L1867 HydrophobicContact CD2-CD1 4.39Å; L1848-L1867 HydrophobicContact CD2-CD2 3.8Å; L1848-L1867 HydrophobicContact CG-CD2 3.87Å |
| 1849 | A | 88.2 | Confident | 88 | Confident | 31 Ų | 31 | 65.8 Ų | 65.8 | 26% | 0.256 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | K1845 A1851 L1852 E1853 | K1845-A1849 VanDerWaalsContact O-CB 3.28Å; K1845-A1849 WeakPolarHBondContact O-CB 3.24Å; K1845-A1849 PolarHBondContact O-N 3.2Å; A1849-A1851 PolarHBondContact O-N 2.82Å; A1849-L1852 PolarHBondContact O-N 3.05Å; A1849-E1853 PolarHBondContact O-N 2.97Å |
| 1850 | A | 89.3 | Confident | 87.9 | Confident | 47 Ų | 47 | 70.9 Ų | 70.9 | 39% | 0.388 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.3 | -49.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1846 L1852 E1853 E1854 | D1846-A1850 WeakPolarHBondContact O-CB 3.41Å; D1846-A1850 PolarHBondContact O-N 2.89Å; A1850-L1852 VanDerWaalsContact C-N 3.29Å; A1850-L1852 PolarHBondContact O-N 3.28Å; A1850-E1853 CarbonylContact O-C 3.53Å; A1850-E1853 PolarHBondContact O-N 3.46Å; A1850-E1854 WeakPolarHBondContact O-CG 3.45Å; A1850-E1854 PolarHBondContact O-N 2.94Å |
| 1851 | A | 89.2 | Confident | 87.6 | Confident | 25 Ų | 25 | 72.3 Ų | 72.3 | 21% | 0.207 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.6 | -30.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | T1367 V1371 Q1847 L1848 A1849 D1855 | T1367-A1851 HydrophobicContact CG2-CB 3.56Å; V1371-A1851 HydrophobicContact CG2-CB 3.82Å; Q1847-A1851 WeakPolarHBondContact O-CB 3.24Å; Q1847-A1851 PolarHBondContact O-N 3.06Å; L1848-A1851 PolarHBondContact O-N 3.37Å; A1849-A1851 PolarHBondContact O-N 2.82Å; A1851-D1855 PolarHBondContact O-N 2.93Å |
| 1852 | L | 89.4 | Confident | 87.5 | Confident | 0 Ų | 0 | 81.3 Ų | 81.3 | 0% | 0 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -79.8 | -19.8 | 173.8 | -67.2 | 168.2 | 0 | 0 | 0 | 113.1 | F1364 T1367 L1848 A1849 A1850 S1858 L1863 P1864 L1867 | F1364-L1852 HydrophobicContact CD2-CD1 3.66Å; F1364-L1852 HydrophobicContact CD2-CD2 4.15Å; F1364-L1852 HydrophobicContact CE2-CD1 3.75Å; T1367-L1852 HydrophobicContact CG2-CD2 3.99Å; T1367-L1852 HydrophobicContact CG2-CG 4.16Å; L1848-L1852 HydrophobicContact CD1-CD1 4.13Å; L1848-L1852 HydrophobicContact CD1-CG 4.35Å; L1848-L1852 HydrophobicContact CG-CD1 3.94Å; L1848-L1852 WeakPolarHBondContact O-CB 3.49Å; L1848-L1852 WeakPolarHBondContact O-CD1 3.37Å; L1848-L1852 WeakPolarHBondContact O-CG 3.31Å; L1848-L1852 PolarHBondContact O-N 3.22Å; A1849-L1852 PolarHBondContact O-N 3.05Å; A1850-L1852 VanDerWaalsContact C-N 3.29Å; A1850-L1852 PolarHBondContact O-N 3.28Å; L1852-S1858 WeakPolarHBondContact CD2-OG 3.29Å; L1852-S1858 WeakPolarHBondContact O-CB 3.43Å; L1852-L1863 HydrophobicContact CD2-CB 4.38Å; L1852-P1864 HydrophobicContact CB-CG 3.84Å; L1852-P1864 WeakPolarHBondContact O-CG 3.4Å; L1852-L1867 HydrophobicContact CD1-CD2 3.9Å |
| 1853 | E | 88.9 | Confident | 87.4 | Confident | 117 Ų | 117 | 78.5 Ų | 78.5 | 55% | 0.547 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -83.9 | -28.6 | 169.4 | -74.2 | -169.4 | 175.6 | 0 | 0 | 112.3 | A1849 A1850 K1859 P1864 | A1849-E1853 PolarHBondContact O-N 2.97Å; A1850-E1853 CarbonylContact O-C 3.53Å; A1850-E1853 PolarHBondContact O-N 3.46Å; E1853-K1859 WeakPolarHBondContact O-CD 3.4Å; E1853-K1859 WeakPolarHBondContact O-CE 3.41Å; E1853-K1859 PolarHBondContact O-NZ 2.55Å; E1853-P1864 HydrophobicContact CG-CB 4.12Å; E1853-P1864 HydrophobicContact CG-CG 3.98Å |
| 1854 | E | 87.2 | Confident | 87.3 | Confident | 159 Ų | 159 | 73.7 Ų | 73.7 | 74% | 0.743 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -68.9 | -33.1 | 173.2 | -73.9 | 178.1 | 177.8 | 0 | 0 | 112.4 | A1850 | A1850-E1854 WeakPolarHBondContact O-CG 3.45Å; A1850-E1854 PolarHBondContact O-N 2.94Å |
| 1855 | D | 83.2 | Confident | 87.2 | Confident | 51 Ų | 51 | 76 Ų | 76 | 27% | 0.273 | 37% | 0.372 | S | S | . | . | trans | -82.9 | 116.8 | 178 | 172.3 | 46.2 | 0 | 0 | 0 | 113.6 | T1363 A1851 F1857 S1858 K1859 | T1363-D1855 WeakPolarHBondContact CG2-OD2 3.37Å; A1851-D1855 PolarHBondContact O-N 2.93Å; D1855-F1857 VanDerWaalsContact C-N 3.27Å; D1855-F1857 PolarHBondContact O-N 2.88Å; D1855-F1857 PolarHBondContact OD1-N 2.83Å; D1855-S1858 WeakPolarHBondContact O-CB 3.41Å; D1855-S1858 PolarHBondContact O-N 2.84Å; D1855-S1858 VanDerWaalsContact O-N 3.13Å; D1855-S1858 WeakPolarHBondContact OD2-CB 3.43Å; D1855-S1858 PolarHBondContact OD2-N 2.91Å; D1855-S1858 PolarHBondContact OD2-OG 2.85Å; D1855-K1859 PolarHBondContact O-N 3.46Å | ||
| 1856 | E | 86 | Confident | 87.3 | Confident | 129 Ų | 129 | 77.5 Ų | 77.5 | 60% | 0.603 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -60.1 | -32.1 | 177.7 | -75.5 | -62 | 126.5 | 0 | 0 | 113.4 | K1859 R1860 | E1856-K1859 WeakPolarHBondContact OE1-CD 3.45Å; E1856-K1859 IonicContact OE1-NZ 3.79Å; E1856-K1859 PolarHBondContact OE1-NZ 2.9Å; E1856-R1860 VanDerWaalsContact O-CB 3.31Å; E1856-R1860 WeakPolarHBondContact O-CB 3.29Å; E1856-R1860 PolarHBondContact O-N 2.83Å |
| 1857 | F | 84.7 | Confident | 87.3 | Confident | 109 Ų | 109 | 71.3 Ų | 71.3 | 48% | 0.478 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -70.7 | -38.6 | 176.3 | -172.5 | -90 | 0 | 0 | 0 | 111.5 | T1363 D1855 R1860 N1861 | T1363-F1857 HydrophobicContact CG2-CD1 4Å; T1363-F1857 WeakPolarHBondContact OG1-CD1 3.33Å; T1363-F1857 WeakPolarHBondContact OG1-CE1 3.32Å; D1855-F1857 VanDerWaalsContact C-N 3.27Å; D1855-F1857 PolarHBondContact O-N 2.88Å; D1855-F1857 PolarHBondContact OD1-N 2.83Å; F1857-R1860 PolarHBondContact O-N 2.86Å; F1857-N1861 VanDerWaalsContact CD1-ND2 3.28Å; F1857-N1861 WeakPolarHBondContact CD1-ND2 3.43Å; F1857-N1861 WeakPolarHBondContact CE1-ND2 3.36Å; F1857-N1861 VanDerWaalsContact CZ-ND2 3.27Å; F1857-N1861 WeakPolarHBondContact CZ-ND2 3.47Å; F1857-N1861 WeakPolarHBondContact O-CB 3.08Å; F1857-N1861 PolarHBondContact O-N 2.79Å; F1857-N1861 PolarHBondContact O-ND2 3.09Å |
| 1858 | S | 84 | Confident | 87.2 | Confident | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.8 | -45 | 174.9 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | T1363 L1852 D1855 N1861 R1862 L1863 P1864 | T1363-S1858 VanDerWaalsContact CG2-OG 3.27Å; T1363-S1858 WeakPolarHBondContact CG2-OG 3.34Å; L1852-S1858 WeakPolarHBondContact CD2-OG 3.29Å; L1852-S1858 WeakPolarHBondContact O-CB 3.43Å; D1855-S1858 WeakPolarHBondContact O-CB 3.41Å; D1855-S1858 PolarHBondContact O-N 2.84Å; D1855-S1858 VanDerWaalsContact O-N 3.13Å; D1855-S1858 WeakPolarHBondContact OD2-CB 3.43Å; D1855-S1858 PolarHBondContact OD2-N 2.91Å; D1855-S1858 PolarHBondContact OD2-OG 2.85Å; S1858-N1861 PolarHBondContact O-N 3.05Å; S1858-R1862 PolarHBondContact O-N 3.17Å; S1858-R1862 VanDerWaalsContact O-N 3.08Å; S1858-L1863 PolarHBondContact O-N 2.92Å; S1858-P1864 WeakPolarHBondContact O-CD 3.32Å |
| 1859 | K | 84.2 | Confident | 87.1 | Confident | 98 Ų | 98 | 74.1 Ų | 74.1 | 43% | 0.426 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.3 | -53.1 | 169.3 | -84.5 | 165.9 | 163.7 | 148.3 | 0 | 112 | E1853 D1855 E1856 N1861 R1862 | E1853-K1859 WeakPolarHBondContact O-CD 3.4Å; E1853-K1859 WeakPolarHBondContact O-CE 3.41Å; E1853-K1859 PolarHBondContact O-NZ 2.55Å; D1855-K1859 PolarHBondContact O-N 3.46Å; E1856-K1859 WeakPolarHBondContact OE1-CD 3.45Å; E1856-K1859 IonicContact OE1-NZ 3.79Å; E1856-K1859 PolarHBondContact OE1-NZ 2.9Å; K1859-N1861 VanDerWaalsContact C-N 3.28Å; K1859-N1861 PolarHBondContact O-N 3.04Å; K1859-R1862 WeakPolarHBondContact O-CA 3.42Å; K1859-R1862 PolarHBondContact O-N 2.86Å |
| 1860 | R | 86 | Confident | 87.1 | Confident | 213 Ų | 213 | 72.7 Ų | 72.7 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -58.5 | -38.7 | -178 | -175.1 | 175.7 | 178.3 | -179.1 | -0.9 | 112.6 | E1856 F1857 R1862 | E1856-R1860 VanDerWaalsContact O-CB 3.31Å; E1856-R1860 WeakPolarHBondContact O-CB 3.29Å; E1856-R1860 PolarHBondContact O-N 2.83Å; F1857-R1860 PolarHBondContact O-N 2.86Å; R1860-R1862 VanDerWaalsContact C-N 3.3Å |
| 1861 | N | 83.9 | Confident | 86.9 | Confident | 67 Ų | 67 | 72 Ų | 72 | 36% | 0.358 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 6.4 | 177.6 | -69.1 | -67.6 | 0 | 0 | 0 | 114.3 | F1857 S1858 K1859 L1863 | F1857-N1861 VanDerWaalsContact CD1-ND2 3.28Å; F1857-N1861 WeakPolarHBondContact CD1-ND2 3.43Å; F1857-N1861 WeakPolarHBondContact CE1-ND2 3.36Å; F1857-N1861 VanDerWaalsContact CZ-ND2 3.27Å; F1857-N1861 WeakPolarHBondContact CZ-ND2 3.47Å; F1857-N1861 WeakPolarHBondContact O-CB 3.08Å; F1857-N1861 PolarHBondContact O-N 2.79Å; F1857-N1861 PolarHBondContact O-ND2 3.09Å; S1858-N1861 PolarHBondContact O-N 3.05Å; K1859-N1861 VanDerWaalsContact C-N 3.28Å; K1859-N1861 PolarHBondContact O-N 3.04Å; N1861-L1863 HydrophobicContact CB-CD2 4.26Å; N1861-L1863 HydrophobicContact CB-CG 4.12Å; N1861-L1863 PolarHBondContact O-N 2.77Å |
| 1862 | R | 89.2 | Confident | 86.6 | Confident | 189 Ų | 189 | 78.7 Ų | 78.7 | 71% | 0.713 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 33.5 | 179.5 | -55.2 | -178.4 | 179.5 | -179.9 | -1 | 113.5 | S1858 K1859 R1860 A1865 K1866 | S1858-R1862 PolarHBondContact O-N 3.17Å; S1858-R1862 VanDerWaalsContact O-N 3.08Å; K1859-R1862 WeakPolarHBondContact O-CA 3.42Å; K1859-R1862 PolarHBondContact O-N 2.86Å; R1860-R1862 VanDerWaalsContact C-N 3.3Å; R1862-A1865 HydrophobicContact CB-CB 4.39Å; R1862-A1865 PolarHBondContact O-N 3.12Å; R1862-K1866 WeakPolarHBondContact O-CG 3.39Å; R1862-K1866 PolarHBondContact O-N 2.64Å |
| 1863 | L | 88.1 | Confident | 86.4 | Confident | 3 Ų | 3 | 80.3 Ų | 80.3 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -62.5 | -41.9 | 179.8 | -57.1 | -175.5 | 0 | 0 | 0 | 113 | L1358 F1364 L1852 S1858 N1861 A1865 K1866 L1867 | L1358-L1863 HydrophobicContact CD2-CD2 4.18Å; F1364-L1863 HydrophobicContact CB-CD1 4.25Å; L1852-L1863 HydrophobicContact CD2-CB 4.38Å; S1858-L1863 PolarHBondContact O-N 2.92Å; N1861-L1863 HydrophobicContact CB-CD2 4.26Å; N1861-L1863 HydrophobicContact CB-CG 4.12Å; N1861-L1863 PolarHBondContact O-N 2.77Å; L1863-A1865 VanDerWaalsContact C-N 3.35Å; L1863-A1865 PolarHBondContact O-N 2.83Å; L1863-K1866 HydrophobicContact CD2-CD 4.32Å; L1863-K1866 PolarHBondContact O-N 2.69Å; L1863-L1867 PolarHBondContact O-N 3.41Å |
| 1864 | P | 87 | Confident | 86 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 14% | 0.136 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -56.8 | -45.4 | 172.8 | -24.6 | 32.5 | 0 | 0 | 0 | 112.9 | L1852 E1853 S1858 K1866 L1867 A1868 | L1852-P1864 HydrophobicContact CB-CG 3.84Å; L1852-P1864 WeakPolarHBondContact O-CG 3.4Å; E1853-P1864 HydrophobicContact CG-CB 4.12Å; E1853-P1864 HydrophobicContact CG-CG 3.98Å; S1858-P1864 WeakPolarHBondContact O-CD 3.32Å; P1864-K1866 PolarHBondContact O-N 2.72Å; P1864-L1867 PolarHBondContact O-N 2.77Å; P1864-A1868 PolarHBondContact O-N 3.38Å |
| 1865 | A | 87.4 | Confident | 85.4 | Confident | 62 Ų | 62 | 73.4 Ų | 73.4 | 51% | 0.512 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -67 | -34.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1862 L1863 Q1869 | R1862-A1865 HydrophobicContact CB-CB 4.39Å; R1862-A1865 PolarHBondContact O-N 3.12Å; L1863-A1865 VanDerWaalsContact C-N 3.35Å; L1863-A1865 PolarHBondContact O-N 2.83Å; A1865-Q1869 WeakPolarHBondContact O-CB 3.31Å; A1865-Q1869 PolarHBondContact O-N 3.13Å |
| 1866 | K | 88.6 | Confident | 84.2 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 37% | 0.37 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -38.6 | 172.4 | -74.6 | 175.3 | 179.6 | 175.8 | 0 | 112 | L1358 R1862 L1863 P1864 Q1869 V1870 | L1358-K1866 HydrophobicContact CD2-CB 3.69Å; L1358-K1866 HydrophobicContact CD2-CD 4.22Å; L1358-K1866 HydrophobicContact CG-CB 4.39Å; R1862-K1866 WeakPolarHBondContact O-CG 3.39Å; R1862-K1866 PolarHBondContact O-N 2.64Å; L1863-K1866 HydrophobicContact CD2-CD 4.32Å; L1863-K1866 PolarHBondContact O-N 2.69Å; P1864-K1866 PolarHBondContact O-N 2.72Å; K1866-Q1869 WeakPolarHBondContact O-CB 3.32Å; K1866-Q1869 PolarHBondContact O-N 2.8Å; K1866-V1870 PolarHBondContact O-N 3.11Å |
| 1867 | L | 89.7 | Confident | 82.1 | Confident | 2 Ų | 2 | 74.2 Ų | 74.2 | 1% | 0.01 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 174 | 177.8 | 61.6 | 0 | 0 | 0 | 111.3 | L1358 F1364 V1841 L1848 L1852 L1863 P1864 Q1869 V1870 Q1871 | L1358-L1867 HydrophobicContact CD1-CB 4.15Å; L1358-L1867 HydrophobicContact CD1-CD1 4.25Å; F1364-L1867 HydrophobicContact CE2-CB 4.41Å; F1364-L1867 HydrophobicContact CE2-CD1 4.12Å; F1364-L1867 HydrophobicContact CE2-CD2 4.33Å; F1364-L1867 HydrophobicContact CZ-CD1 4.18Å; V1841-L1867 HydrophobicContact CG1-CD1 3.65Å; L1848-L1867 HydrophobicContact CB-CD2 4.39Å; L1848-L1867 HydrophobicContact CD2-CD1 4.39Å; L1848-L1867 HydrophobicContact CD2-CD2 3.8Å; L1848-L1867 HydrophobicContact CG-CD2 3.87Å; L1852-L1867 HydrophobicContact CD1-CD2 3.9Å; L1863-L1867 PolarHBondContact O-N 3.41Å; P1864-L1867 PolarHBondContact O-N 2.77Å; L1867-Q1869 PolarHBondContact O-N 2.99Å; L1867-V1870 WeakPolarHBondContact O-CB 3Å; L1867-V1870 PolarHBondContact O-N 3.35Å; L1867-V1870 VanDerWaalsContact O-N 3.11Å; L1867-Q1871 WeakPolarHBondContact O-CG 3.36Å; L1867-Q1871 PolarHBondContact O-N 3.19Å |
| 1868 | A | 87.6 | Confident | 79.7 | Confident | 50 Ų | 50 | 72.6 Ų | 72.6 | 41% | 0.413 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.7 | -33 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P1864 K1872 | P1864-A1868 PolarHBondContact O-N 3.38Å; A1868-K1872 WeakPolarHBondContact O-CB 3.16Å; A1868-K1872 PolarHBondContact O-N 3.07Å |
| 1869 | Q | 87.9 | Confident | 77.2 | Confident | 99 Ų | 99 | 84.8 Ų | 84.8 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.8 | -38.1 | 173 | -173.5 | -175.7 | 2.8 | 0 | 0 | 112.6 | L1354 A1865 K1866 L1867 L1873 | L1354-Q1869 HydrophobicContact CD2-CB 3.85Å; L1354-Q1869 HydrophobicContact CD2-CG 3.55Å; A1865-Q1869 WeakPolarHBondContact O-CB 3.31Å; A1865-Q1869 PolarHBondContact O-N 3.13Å; K1866-Q1869 WeakPolarHBondContact O-CB 3.32Å; K1866-Q1869 PolarHBondContact O-N 2.8Å; L1867-Q1869 PolarHBondContact O-N 2.99Å; Q1869-L1873 HydrophobicContact CG-CD1 4.28Å; Q1869-L1873 VanDerWaalsContact O-CG 3.31Å; Q1869-L1873 WeakPolarHBondContact O-CG 3.17Å; Q1869-L1873 PolarHBondContact O-N 3.05Å; Q1869-L1873 VanDerWaalsContact O-N 3.09Å |
| 1870 | V | 87.2 | Confident | 74.8 | Confident | 0 Ų | 0 | 83.3 Ų | 83.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -60 | -53.2 | 171.1 | 171.7 | 0 | 0 | 0 | 0 | 109.6 | L1354 L1355 L1358 Y1838 K1866 L1867 K1872 L1873 M1874 | L1354-V1870 HydrophobicContact CB-CG2 3.85Å; L1354-V1870 HydrophobicContact CD2-CG2 3.69Å; L1354-V1870 HydrophobicContact CG-CG2 3.56Å; L1355-V1870 HydrophobicContact CB-CG1 3.97Å; L1355-V1870 HydrophobicContact CB-CG2 4.26Å; L1355-V1870 HydrophobicContact CD1-CG1 4.35Å; L1358-V1870 HydrophobicContact CD1-CG2 3.71Å; Y1838-V1870 HydrophobicContact CD2-CG1 4.28Å; Y1838-V1870 HydrophobicContact CE2-CG1 3.96Å; K1866-V1870 PolarHBondContact O-N 3.11Å; L1867-V1870 WeakPolarHBondContact O-CB 3Å; L1867-V1870 PolarHBondContact O-N 3.35Å; L1867-V1870 VanDerWaalsContact O-N 3.11Å; V1870-K1872 VanDerWaalsContact C-N 3.33Å; V1870-K1872 PolarHBondContact O-N 2.94Å; V1870-L1873 PolarHBondContact O-N 2.05Å; V1870-M1874 HydrophobicContact CG1-CG 3.96Å; V1870-M1874 VanDerWaalsContact O-CG 3.25Å; V1870-M1874 WeakPolarHBondContact O-CG 2.96Å; V1870-M1874 PolarHBondContact O-N 3.2Å |
| 1871 | Q | 85.7 | Confident | 72.4 | Confident | 32 Ų | 32 | 79.4 Ų | 79.4 | 15% | 0.15 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -52.6 | -51 | 178.7 | -70.8 | 163.5 | -12.5 | 0 | 0 | 110.9 | K1845 L1867 L1873 M1874 E1875 | K1845-Q1871 VanDerWaalsContact CB-NE2 3.34Å; L1867-Q1871 WeakPolarHBondContact O-CG 3.36Å; L1867-Q1871 PolarHBondContact O-N 3.19Å; Q1871-L1873 VanDerWaalsContact C-N 3.27Å; Q1871-L1873 PolarHBondContact O-N 2.86Å; Q1871-M1874 PolarHBondContact O-N 2.68Å; Q1871-M1874 VanDerWaalsContact O-N 3.11Å; Q1871-E1875 VanDerWaalsContact O-CB 3.27Å; Q1871-E1875 WeakPolarHBondContact O-CB 3.4Å; Q1871-E1875 VanDerWaalsContact O-CG 3.27Å; Q1871-E1875 WeakPolarHBondContact O-CG 3.32Å; Q1871-E1875 PolarHBondContact O-N 3.08Å |
| 1872 | K | 83.9 | Confident | 69.9 | Low | 166 Ų | 166 | 80.7 Ų | 80.7 | 72% | 0.722 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.2 | -30.7 | 178 | -173 | 174 | -178.1 | 177.9 | 0 | 114.4 | A1868 V1870 | A1868-K1872 WeakPolarHBondContact O-CB 3.16Å; A1868-K1872 PolarHBondContact O-N 3.07Å; V1870-K1872 VanDerWaalsContact C-N 3.33Å; V1870-K1872 PolarHBondContact O-N 2.94Å |
| 1873 | L | 84.7 | Confident | 67.4 | Low | 35 Ų | 35 | 77.4 Ų | 77.4 | 18% | 0.183 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -78.4 | -35.7 | 176.1 | -74.5 | 168.8 | 0 | 0 | 0 | 112.3 | K1350 L1354 Q1869 V1870 Q1871 | K1350-L1873 HydrophobicContact CD-CD1 4.5Å; K1350-L1873 HydrophobicContact CD-CD2 4.29Å; K1350-L1873 HydrophobicContact CG-CD1 4.12Å; L1354-L1873 HydrophobicContact CD2-CD1 3.95Å; Q1869-L1873 HydrophobicContact CG-CD1 4.28Å; Q1869-L1873 VanDerWaalsContact O-CG 3.31Å; Q1869-L1873 WeakPolarHBondContact O-CG 3.17Å; Q1869-L1873 PolarHBondContact O-N 3.05Å; Q1869-L1873 VanDerWaalsContact O-N 3.09Å; V1870-L1873 PolarHBondContact O-N 2.05Å; Q1871-L1873 VanDerWaalsContact C-N 3.27Å; Q1871-L1873 PolarHBondContact O-N 2.86Å |
| 1874 | M | 80 | Confident | 64.9 | Low | 21 Ų | 21 | 82.9 Ų | 82.9 | 10% | 0.103 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -77.5 | -30.5 | 178.2 | -61.4 | -64.8 | -77 | 0 | 0 | 112.3 | F1348 L1352 Y1838 V1870 Q1871 G1876 | F1348-M1874 HydrophobicContact CD2-CE 3.79Å; F1348-M1874 HydrophobicContact CD2-SD 3.84Å; F1348-M1874 HydrophobicContact CE1-CE 4.41Å; F1348-M1874 HydrophobicContact CE2-CE 3.31Å; F1348-M1874 HydrophobicContact CE2-SD 4.03Å; F1348-M1874 HydrophobicContact CG-SD 4.32Å; F1348-M1874 HydrophobicContact CZ-CE 3.67Å; L1352-M1874 HydrophobicContact CD2-CE 3.5Å; L1352-M1874 VanDerWaalsContact CD2-CE 3.5Å; L1352-M1874 HydrophobicContact CD2-SD 4.14Å; L1352-M1874 HydrophobicContact CG-CE 3.9Å; L1352-M1874 HydrophobicContact CG-SD 4.04Å; Y1838-M1874 HydrophobicContact CD1-CE 3.51Å; Y1838-M1874 HydrophobicContact CD1-CG 4.49Å; Y1838-M1874 HydrophobicContact CD2-CE 4.27Å; Y1838-M1874 HydrophobicContact CD2-CG 4.32Å; Y1838-M1874 HydrophobicContact CE1-CB 3.79Å; Y1838-M1874 HydrophobicContact CE1-CE 3.89Å; Y1838-M1874 HydrophobicContact CE1-CG 4.07Å; Y1838-M1874 HydrophobicContact CE2-CB 4.21Å; Y1838-M1874 HydrophobicContact CE2-CG 3.86Å; Y1838-M1874 HydrophobicContact CG-CE 3.73Å; Y1838-M1874 WeakPolarHBondContact OH-CB 3.29Å; V1870-M1874 HydrophobicContact CG1-CG 3.96Å; V1870-M1874 VanDerWaalsContact O-CG 3.25Å; V1870-M1874 WeakPolarHBondContact O-CG 2.96Å; V1870-M1874 PolarHBondContact O-N 3.2Å; Q1871-M1874 PolarHBondContact O-N 2.68Å; Q1871-M1874 VanDerWaalsContact O-N 3.11Å; M1874-G1876 VanDerWaalsContact C-N 3.32Å |
| 1875 | E | 74.4 | Confident | 62.3 | Low | 110 Ų | 110 | 85.9 Ų | 85.9 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 10.3 | 177.2 | -65.6 | 174.9 | 170.4 | 0 | 0 | 113.3 | K1845 Q1871 D1877 | K1845-E1875 IonicContact NZ-OE1 3.94Å; K1845-E1875 PolarHBondContact NZ-OE1 3.43Å; Q1871-E1875 VanDerWaalsContact O-CB 3.27Å; Q1871-E1875 WeakPolarHBondContact O-CB 3.4Å; Q1871-E1875 VanDerWaalsContact O-CG 3.27Å; Q1871-E1875 WeakPolarHBondContact O-CG 3.32Å; Q1871-E1875 PolarHBondContact O-N 3.08Å; E1875-D1877 PolarHBondContact O-N 3.49Å |
| 1876 | G | 57.4 | Low | 59.6 | Low | 35 Ų | 35 | 86.1 Ų | 86.1 | 36% | 0.361 | 53% | 0.529 | S | S | . | . | trans | -61.1 | 116.8 | -164.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | M1874 | M1874-G1876 VanDerWaalsContact C-N 3.32Š| ||
| 1877 | D | 41.8 | Very low | 56.8 | Low | 162 Ų | 162 | 87.4 Ų | 87.4 | 87% | 0.866 | 55% | 0.548 | S | S | * | . | trans | 53.8 | 85 | 163.7 | -71.1 | -16.3 | 0 | 0 | 0 | 119.4 | E1875 | E1875-D1877 PolarHBondContact O-N 3.49Š| ||
| 1878 | C | 35.6 | Very low | 54 | Low | 74 Ų | 74 | 92.3 Ų | 92.3 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | trans | -134.9 | 59.4 | 158.7 | -83.9 | 0 | 0 | 0 | 0 | 113.3 | T1895 C1896 | C1878-T1895 HydrophobicContact CB-CG2 3.27Å; C1878-C1896 PolarHBondContact SG-SG 2.66Å | ||
| 1879 | R | 31.6 | Very low | 51.2 | Low | 257 Ų | 257 | 96.5 Ų | 96.5 | 97% | 0.97 | 60% | 0.604 | S | S | * | * | trans | -136.8 | 98.4 | 166.2 | -76.2 | -169.2 | 175.6 | -177.2 | 0.2 | 112.4 | ||||
| 1880 | G | 32.7 | Very low | 48.5 | Very low | 66 Ų | 66 | 96.3 Ų | 96.3 | 68% | 0.68 | 62% | 0.619 | S | S | * | * | trans | -161.1 | 113.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1881 | S | 36 | Very low | 45.7 | Very low | 132 Ų | 132 | 107 Ų | 107 | 92% | 0.923 | 66% | 0.661 | S | S | * | * | trans | 71.4 | 140.7 | 177.1 | 74.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1882 | A | 31.3 | Very low | 43 | Very low | 94 Ų | 94 | 114.4 Ų | 114.4 | 78% | 0.777 | 70% | 0.695 | S | S | * | * | trans | -163.1 | -170.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 1883 | P | 37.5 | Very low | 40.3 | Very low | 119 Ų | 119 | 111.3 Ų | 111.3 | 77% | 0.773 | 70% | 0.695 | S | S | * | * | cis | -118.6 | -133.1 | -19.1 | 41.4 | -23 | 0 | 0 | 0 | 108.3 | ||||
| 1884 | P | 34.2 | Very low | 37.5 | Very low | 119 Ų | 119 | 113.6 Ų | 113.6 | 77% | 0.773 | 71% | 0.714 | S | S | * | * | cis | -130.8 | 169 | -32.6 | 37.2 | -21.3 | 0 | 0 | 0 | 115.5 | ||||
| 1885 | G | 33 | Very low | 35.2 | Very low | 83 Ų | 83 | 117 Ų | 117 | 86% | 0.856 | 74% | 0.736 | S | S | * | * | trans | 106.4 | 147.1 | 145.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1886 | G | 30.6 | Very low | 32.7 | Very low | 68 Ų | 68 | 115.5 Ų | 115.5 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | trans | 106.4 | 64.7 | 147.1 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1887 | S | 30.2 | Very low | 31.4 | Very low | 111 Ų | 111 | 121.1 Ų | 121.1 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | trans | 61 | 150.5 | 140.1 | 60.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 1888 | S | 30.7 | Very low | 30.7 | Very low | 105 Ų | 105 | 118.1 Ų | 118.1 | 73% | 0.734 | 75% | 0.754 | S | S | * | * | trans | 69.7 | 101 | 167.7 | 56.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1889 | T | 29.6 | Very low | 30.2 | Very low | 139 Ų | 139 | 118.1 Ų | 118.1 | 85% | 0.853 | 76% | 0.759 | S | S | * | * | S | Bend | trans | 66.1 | 103.8 | 148.2 | 50.9 | 0 | 0 | 0 | 0 | 119.3 | ||
| 1890 | A | 30.8 | Very low | 29.9 | Very low | 95 Ų | 95 | 111.8 Ų | 111.8 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 70.1 | 71.1 | 161.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q1892 | A1890-Q1892 PolarHBondContact O-N 3.48Š| ||
| 1891 | Y | 27.6 | Very low | 29.7 | Very low | 225 Ų | 225 | 114 Ų | 114 | 88% | 0.882 | 75% | 0.752 | S | S | * | * | trans | -33.3 | 127.6 | 146.6 | -73.9 | -96.4 | 0 | 0 | 0 | 110.7 | ||||
| 1892 | Q | 29.2 | Very low | 29.1 | Very low | 186 Ų | 186 | 117.5 Ų | 117.5 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | cis | 65.2 | 76.4 | 25.3 | -107.4 | -172.7 | 10.9 | 0 | 0 | 114.7 | A1890 | A1890-Q1892 PolarHBondContact O-N 3.48Š| ||
| 1893 | S | 28.4 | Very low | 28.9 | Very low | 102 Ų | 102 | 117 Ų | 117 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | trans | -142.7 | 85.2 | 151.6 | 55.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1894 | S | 25.1 | Very low | 28.4 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 57% | 0.573 | 72% | 0.723 | S | S | * | * | 84.1 | 138.8 | 82.9 | 68.8 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1895 | T | 30.7 | Very low | 28 | Very low | 93 Ų | 93 | 115.7 Ų | 115.7 | 57% | 0.571 | 72% | 0.719 | S | S | * | * | S | Bend | trans | 62.8 | 116.6 | 162.4 | 68.8 | 0 | 0 | 0 | 0 | 118 | C1878 | C1878-T1895 HydrophobicContact CB-CG2 3.27Š|
| 1896 | C | 22.2 | Very low | 27.8 | Very low | 78 Ų | 78 | 117.7 Ų | 117.7 | 53% | 0.527 | 72% | 0.717 | S | S | . | * | cis | -123.4 | 103.5 | -12.4 | -78 | 0 | 0 | 0 | 0 | 107.8 | C1878 A1898 | C1878-C1896 PolarHBondContact SG-SG 2.66Å; C1896-A1898 PolarHBondContact O-N 3.28Å | ||
| 1897 | I | 30.5 | Very low | 27.6 | Very low | 154 Ų | 154 | 120.1 Ų | 120.1 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | trans | -99.5 | 95.6 | -170.7 | -56.9 | 174.4 | 0 | 0 | 0 | 108.9 | A1899 | I1897-A1899 PolarHBondContact O-N 2.73Š| ||
| 1898 | A | 27.1 | Very low | 27.4 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 81% | 0.81 | 72% | 0.715 | S | S | * | * | trans | -63.2 | 118.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | C1896 | C1896-A1898 PolarHBondContact O-N 3.28Š| ||
| 1899 | A | 25.2 | Very low | 27.3 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 61% | 0.612 | 72% | 0.724 | S | S | * | * | trans | -67 | 147.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I1897 V1901 | I1897-A1899 PolarHBondContact O-N 2.73Å; A1899-V1901 PolarHBondContact O-N 3.16Å | ||
| 1900 | P | 25.4 | Very low | 27.2 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | trans | -69.1 | 103.7 | 174.8 | 28.5 | -33.1 | 0 | 0 | 0 | 109.8 | R1902 | P1900-R1902 PolarHBondContact O-N 3.29Å; P1900-R1902 VanDerWaalsContact O-N 3.08Å | ||
| 1901 | V | 27.8 | Very low | 27 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 67% | 0.673 | 71% | 0.713 | S | S | * | * | trans | -69 | 105.5 | -178 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | A1899 I1903 | A1899-V1901 PolarHBondContact O-N 3.16Å; V1901-I1903 HydrophobicContact CG1-CD1 3.56Å; V1901-I1903 HydrophobicContact CG1-CG1 3.68Å; V1901-I1903 PolarHBondContact O-N 2.93Å | ||
| 1902 | R | 24.2 | Very low | 27 | Very low | 207 Ų | 207 | 126.7 Ų | 126.7 | 78% | 0.781 | 71% | 0.712 | S | S | * | * | trans | -72.4 | 107.5 | 166.2 | -75.3 | 174.6 | 160.8 | -179.9 | -9.1 | 109.9 | D1614 P1900 | D1614-R1902 IonicContact OD2-NH2 2.65Å; D1614-R1902 PolarHBondContact OD2-NH2 2.04Å; P1900-R1902 PolarHBondContact O-N 3.29Å; P1900-R1902 VanDerWaalsContact O-N 3.08Å | ||
| 1903 | I | 26.9 | Very low | 26.9 | Very low | 82 Ų | 82 | 122 Ų | 122 | 42% | 0.421 | 70% | 0.7 | S | S | . | * | trans | -140.7 | 114.5 | 163.8 | -61.4 | 171.4 | 0 | 0 | 0 | 105.8 | R1337 V1901 | R1337-I1903 PolarHBondContact NH1-O 3.04Å; R1337-I1903 PolarHBondContact NH2-O 2.82Å; V1901-I1903 HydrophobicContact CG1-CD1 3.56Å; V1901-I1903 HydrophobicContact CG1-CG1 3.68Å; V1901-I1903 PolarHBondContact O-N 2.93Å | ||
| 1904 | A | 26.8 | Very low | 26.9 | Very low | 81 Ų | 81 | 126.9 Ų | 126.9 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | cis | 85.6 | 95.4 | 30.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1905 | N | 25.6 | Very low | 27.3 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | trans | 61.2 | 148.4 | 166 | -68.5 | -13.8 | 0 | 0 | 0 | 116.4 | L1907 | N1905-L1907 HydrophobicContact CB-CD1 4.46Å; N1905-L1907 WeakPolarHBondContact ND2-CD1 2.92Å | ||
| 1906 | P | 29.7 | Very low | 27.2 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | -125 | 147 | 59.4 | 20.1 | 1.9 | 0 | 0 | 0 | 113.3 | |||||
| 1907 | L | 26.7 | Very low | 27.5 | Very low | 119 Ų | 119 | 131 Ų | 131 | 62% | 0.623 | 74% | 0.738 | S | S | * | * | cis | 56 | 93.9 | 34.6 | -74.5 | -178.7 | 0 | 0 | 0 | 116 | N1905 | N1905-L1907 HydrophobicContact CB-CD1 4.46Å; N1905-L1907 WeakPolarHBondContact ND2-CD1 2.92Å | ||
| 1908 | Y | 25.2 | Very low | 27.5 | Very low | 209 Ų | 209 | 128 Ų | 128 | 82% | 0.82 | 73% | 0.731 | S | S | * | * | 37.4 | 103.5 | 129.4 | -88.2 | -92.8 | 0 | 0 | 0 | 118.6 | |||||
| 1909 | F | 28.9 | Very low | 27.6 | Very low | 210 Ų | 210 | 130.9 Ų | 130.9 | 92% | 0.921 | 73% | 0.732 | S | S | * | * | trans | -139.3 | 131.4 | 131.4 | -84.1 | -86.5 | 0 | 0 | 0 | 106.8 | ||||
| 1910 | G | 26.9 | Very low | 27.9 | Very low | 55 Ų | 55 | 131.6 Ų | 131.6 | 57% | 0.567 | 74% | 0.739 | S | S | * | * | cis | 108.1 | 77.9 | 7.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1911 | D | 26.1 | Very low | 28.1 | Very low | 156 Ų | 156 | 131.4 Ų | 131.4 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | 60.7 | 151.3 | 165.3 | -68.1 | -37.1 | 0 | 0 | 0 | 121.4 | ||||
| 1912 | Q | 27.6 | Very low | 28 | Very low | 183 Ų | 183 | 135.8 Ų | 135.8 | 86% | 0.855 | 75% | 0.746 | S | S | * | * | trans | 93.2 | 130.3 | 165.4 | -54.2 | 176.5 | 25.6 | 0 | 0 | 116.3 | ||||
| 1913 | S | 28.2 | Very low | 28.5 | Very low | 88 Ų | 88 | 134.3 Ų | 134.3 | 62% | 0.615 | 78% | 0.777 | S | S | * | * | cis | 174.3 | 122.7 | -6.1 | 45.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1914 | F | 27.6 | Very low | 28.6 | Very low | 205 Ų | 205 | 136.9 Ų | 136.9 | 90% | 0.899 | 80% | 0.795 | S | S | * | * | trans | 62.7 | 168.6 | 153.9 | -71.2 | -102.8 | 0 | 0 | 0 | 118.9 | ||||
| 1915 | P | 33.5 | Very low | 28.7 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 80% | 0.802 | S | S | * | * | -140 | 166.4 | -59 | 40.3 | -23.9 | 0 | 0 | 0 | 115.3 | |||||
| 1916 | G | 28.3 | Very low | 28.8 | Very low | 70 Ų | 70 | 140.4 Ų | 140.4 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 96.5 | 140.4 | 135.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 1917 | N | 30.1 | Very low | 28.8 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | trans | 71.3 | 93.7 | 153.4 | -74.9 | 2.7 | 0 | 0 | 0 | 121.9 | ||||
| 1918 | S | 29.5 | Very low | 28.9 | Very low | 91 Ų | 91 | 142.7 Ų | 142.7 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | 77 | 127.2 | 110.2 | 71.1 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1919 | N | 28.9 | Very low | 29.2 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 64.2 | 106.6 | 145.8 | -57.1 | -10.7 | 0 | 0 | 0 | 118.7 | ||||
| 1920 | A | 32.3 | Very low | 29.2 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | 171.4 | 105.8 | 106 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1921 | T | 28.5 | Very low | 29.4 | Very low | 120 Ų | 120 | 139.2 Ų | 139.2 | 74% | 0.736 | 83% | 0.831 | S | S | * | * | trans | 26.5 | 130.7 | 131.2 | 42.6 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 1922 | F | 26.1 | Very low | 29.6 | Very low | 204 Ų | 204 | 137.8 Ų | 137.8 | 90% | 0.895 | 83% | 0.83 | S | S | * | * | trans | 72.3 | 99.9 | 148.2 | -75.5 | -69.1 | 0 | 0 | 0 | 120.4 | ||||
| 1923 | A | 35.1 | Very low | 29.8 | Very low | 175 Ų | 175 | 133.6 Ų | 133.6 | 100% | 1.446 | 83% | 0.828 | S | S | * | * | -149.4 | 0 | 118.8 | 0 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 1,923 of 1,923 residues in 1765.7 ms
(Link to these results)