| 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 | 41.6 | Very low | 71.1 | Confident | 238 Ų | 238 | 103 Ų | 103 | 100% | 1.172 | 60% | 0.598 | S | S | * | * | 0 | 142.7 | 0 | -65.5 | 168.8 | 179.8 | 0 | 0 | 107 | E3 | M1-E3 PolarHBondContact O-N 2.88Š| |||
| 2 | S | 52 | Low | 73.2 | Confident | 121 Ų | 121 | 104.3 Ų | 104.3 | 85% | 0.846 | 60% | 0.598 | S | S | * | * | trans | -81.5 | 98.9 | 166.6 | 49.2 | 0 | 0 | 0 | 0 | 107.8 | D4 | S2-D4 PolarHBondContact O-N 3.28Š| ||
| 3 | E | 54.4 | Low | 75 | Confident | 178 Ų | 178 | 101.8 Ų | 101.8 | 83% | 0.832 | 58% | 0.582 | S | S | * | * | trans | -60.2 | 134 | 167.3 | -65.2 | 177.6 | 148.9 | 0 | 0 | 108.4 | M1 S5 | M1-E3 PolarHBondContact O-N 2.88Å; E3-S5 PolarHBondContact O-N 3.14Å | ||
| 4 | D | 60.3 | Low | 76.6 | Confident | 100 Ų | 100 | 102.3 Ų | 102.3 | 54% | 0.535 | 57% | 0.57 | S | S | . | * | trans | -71.2 | 103.4 | -177.3 | 175 | 36.3 | 0 | 0 | 0 | 109.7 | S2 S6 A7 | S2-D4 PolarHBondContact O-N 3.28Å; D4-S6 PolarHBondContact O-N 2.95Å; D4-S6 VanDerWaalsContact O-N 3.08Å; D4-S6 VanDerWaalsContact OD1-CB 3.3Å; D4-S6 WeakPolarHBondContact OD1-CB 3.25Å; D4-S6 PolarHBondContact OD1-N 2.72Å; D4-S6 PolarHBondContact OD1-OG 2.63Å; D4-S6 VanDerWaalsContact OD2-CB 3.29Å; D4-S6 WeakPolarHBondContact OD2-CB 3.46Å; D4-S6 PolarHBondContact OD2-OG 3.34Å; D4-A7 WeakPolarHBondContact O-CB 3.34Å; D4-A7 PolarHBondContact O-N 3.04Å | ||
| 5 | S | 61.1 | Low | 78 | Confident | 44 Ų | 44 | 103.1 Ų | 103.1 | 31% | 0.308 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -15.8 | -178 | 53.9 | 0 | 0 | 0 | 0 | 112.7 | E3 A7 K39 | E3-S5 PolarHBondContact O-N 3.14Å; S5-A7 VanDerWaalsContact C-N 3.31Å; S5-A7 PolarHBondContact O-N 2.99Å; S5-K39 WeakPolarHBondContact O-CD 3.11Å; S5-K39 WeakPolarHBondContact O-CE 3.33Å; S5-K39 PolarHBondContact O-NZ 3.07Å |
| 6 | S | 69.5 | Low | 79.2 | Confident | 86 Ų | 86 | 99.4 Ų | 99.4 | 60% | 0.601 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.6 | -42.8 | 169 | -35.7 | 0 | 0 | 0 | 0 | 111.8 | D4 L8 K39 | D4-S6 PolarHBondContact O-N 2.95Å; D4-S6 VanDerWaalsContact O-N 3.08Å; D4-S6 VanDerWaalsContact OD1-CB 3.3Å; D4-S6 WeakPolarHBondContact OD1-CB 3.25Å; D4-S6 PolarHBondContact OD1-N 2.72Å; D4-S6 PolarHBondContact OD1-OG 2.63Å; D4-S6 VanDerWaalsContact OD2-CB 3.29Å; D4-S6 WeakPolarHBondContact OD2-CB 3.46Å; D4-S6 PolarHBondContact OD2-OG 3.34Å; S6-L8 PolarHBondContact O-N 3.43Å; S6-K39 PolarHBondContact O-NZ 3.27Å |
| 7 | A | 75.5 | Confident | 80.3 | Confident | 82 Ų | 82 | 93.6 Ų | 93.6 | 68% | 0.678 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -75.1 | -19.9 | -169.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | D4 S5 | D4-A7 WeakPolarHBondContact O-CB 3.34Å; D4-A7 PolarHBondContact O-N 3.04Å; S5-A7 VanDerWaalsContact C-N 3.31Å; S5-A7 PolarHBondContact O-N 2.99Å |
| 8 | L | 84.3 | Confident | 81.3 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -69.8 | 147.8 | 176.1 | -68.5 | 173.2 | 0 | 0 | 0 | 111.4 | S6 K39 | S6-L8 PolarHBondContact O-N 3.43Å; L8-K39 WeakPolarHBondContact O-CE 3.1Å; L8-K39 PolarHBondContact O-NZ 2.59Å |
| 9 | P | 91.8 | Very high | 82.1 | Confident | 114 Ų | 114 | 92.7 Ų | 92.7 | 74% | 0.74 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -64.2 | 158 | 168.4 | 29.1 | -34.9 | 0 | 0 | 0 | 111.2 | ||
| 10 | W | 95.4 | Very high | 82.8 | Confident | 52 Ų | 52 | 90.5 Ų | 90.5 | 20% | 0.197 | 49% | 0.494 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 131.6 | 169.8 | -75.9 | 99.8 | 0 | 0 | 0 | 110.5 | C36 K39 E41 V43 Y79 T80 | W10-C36 HydrophobicContact CZ3-CB 4.04Å; W10-K39 HydrophobicContact CD2-CD 4.38Å; W10-K39 HydrophobicContact CD2-CG 4.17Å; W10-K39 HydrophobicContact CE3-CD 4.43Å; W10-K39 HydrophobicContact CE3-CG 3.77Å; W10-K39 HydrophobicContact CH2-CB 4.04Å; W10-K39 HydrophobicContact CH2-CD 4.14Å; W10-K39 HydrophobicContact CH2-CG 3.87Å; W10-K39 HydrophobicContact CZ2-CD 4.09Å; W10-K39 HydrophobicContact CZ2-CG 4.27Å; W10-K39 HydrophobicContact CZ3-CB 3.9Å; W10-K39 HydrophobicContact CZ3-CD 4.33Å; W10-K39 HydrophobicContact CZ3-CG 3.61Å; W10-E41 HydrophobicContact CH2-CB 4.23Å; W10-E41 HydrophobicContact CH2-CG 4.46Å; W10-E41 WeakPolarHBondContact CH2-OE2 3.45Å; W10-V43 HydrophobicContact CH2-CG1 3.9Å; W10-V43 HydrophobicContact CZ3-CG1 3.71Å; W10-Y79 HydrophobicContact CD2-CD2 4.01Å; W10-Y79 AromaticContact CD2-CG 3.98Å; W10-Y79 HydrophobicContact CD2-CG 3.98Å; W10-Y79 AromaticContact CE2-CD1 3.98Å; W10-Y79 AromaticContact CE2-CD2 3.6Å; W10-Y79 AromaticContact CE2-CG 3.53Å; W10-Y79 HydrophobicContact CE3-CD2 4.05Å; W10-Y79 HydrophobicContact CE3-CG 4.44Å; W10-Y79 HydrophobicContact CG-CG 4.5Å; W10-Y79 AromaticContact CH2-CD2 3.39Å; W10-Y79 HydrophobicContact CH2-CD2 3.39Å; W10-Y79 AromaticContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CG 4.2Å; W10-Y79 HydrophobicContact CZ2-CD1 4.07Å; W10-Y79 AromaticContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CE1 4.08Å; W10-Y79 AromaticContact CZ2-CE2 3.31Å; W10-Y79 HydrophobicContact CZ2-CE2 3.31Å; W10-Y79 AromaticContact CZ2-CG 3.69Å; W10-Y79 HydrophobicContact CZ2-CG 3.69Å; W10-Y79 AromaticContact CZ2-CZ 3.71Å; W10-Y79 AromaticContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CE2 4.13Å; W10-Y79 AromaticContact NE1-CD1 3.86Å; W10-Y79 AromaticContact NE1-CG 3.75Å; W10-T80 HydrophobicContact CB-CG2 3.74Å |
| 11 | S | 96.1 | Very high | 83.1 | Confident | 26 Ų | 26 | 88.5 Ų | 88.5 | 18% | 0.182 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 143.1 | -174.5 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | N13 D16 Y17 T80 | S11-N13 PolarHBondContact OG-N 2.9Å; S11-N13 VanDerWaalsContact OG-N 3.07Å; S11-D16 VanDerWaalsContact CB-OD2 3.26Å; S11-D16 WeakPolarHBondContact CB-OD2 3.38Å; S11-D16 PolarHBondContact OG-OD2 3.47Å; S11-Y17 VanDerWaalsContact O-CE2 3.3Å; S11-Y17 WeakPolarHBondContact O-CE2 3.38Å; S11-Y17 PolarHBondContact O-OH 3.36Å; S11-T80 WeakPolarHBondContact O-CG2 2.99Å |
| 12 | I | 96.3 | Very high | 85.4 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 61% | 0.605 | 44% | 0.439 | S | S | * | . | trans | -102.8 | 4.9 | 169.4 | 55.8 | 163.4 | 0 | 0 | 0 | 112.7 | F82 | I12-F82 HydrophobicContact CB-CB 4.17Å; I12-F82 HydrophobicContact CB-CD1 4.25Å; I12-F82 HydrophobicContact CB-CG 4.44Å; I12-F82 HydrophobicContact CG2-CB 4.43Å; I12-F82 HydrophobicContact CG2-CD1 4.33Å | ||
| 13 | N | 96.9 | Very high | 87 | Confident | 73 Ų | 73 | 75.6 Ų | 75.6 | 39% | 0.39 | 41% | 0.409 | S | S | . | . | trans | -86.5 | 125 | 172.7 | 176.8 | 18.9 | 0 | 0 | 0 | 110 | S11 D15 D16 Y17 | S11-N13 PolarHBondContact OG-N 2.9Å; S11-N13 VanDerWaalsContact OG-N 3.07Å; N13-D15 PolarHBondContact O-N 3.24Å; N13-D15 PolarHBondContact OD1-N 2.87Å; N13-D15 VanDerWaalsContact OD1-N 3.11Å; N13-D16 PolarHBondContact O-N 2.62Å; N13-Y17 WeakPolarHBondContact O-CD2 3.07Å | ||
| 14 | R | 97.1 | Very high | 88.1 | Confident | 108 Ų | 108 | 68.2 Ų | 68.2 | 41% | 0.408 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -56.5 | -34.4 | 176.7 | 175.6 | -90.3 | 158.9 | -153.6 | -9.2 | 112.8 | D16 Y17 F82 V84 W89 | R14-D16 PolarHBondContact O-N 3.35Å; R14-Y17 PolarHBondContact O-N 3.07Å; R14-F82 HydrophobicContact CB-CE2 4.19Å; R14-V84 HydrophobicContact CB-CG2 3.99Å; R14-V84 HydrophobicContact CG-CG1 3.98Å; R14-V84 HydrophobicContact CG-CG2 4.01Å; R14-W89 HydrophobicContact CG-CH2 3.97Å; R14-W89 HydrophobicContact CG-CZ3 4.09Å |
| 15 | D | 97.3 | Very high | 88.8 | Confident | 114 Ų | 114 | 67.5 Ų | 67.5 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -75.8 | -11.7 | -173.2 | -64.7 | -31 | 0 | 0 | 0 | 113.5 | N13 Y17 | N13-D15 PolarHBondContact O-N 3.24Å; N13-D15 PolarHBondContact OD1-N 2.87Å; N13-D15 VanDerWaalsContact OD1-N 3.11Å; D15-Y17 PolarHBondContact O-N 3.14Å |
| 16 | D | 97.9 | Very high | 89.1 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 24% | 0.235 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | -78.1 | -4.4 | 171.1 | -71.4 | -41.2 | 0 | 0 | 0 | 113.5 | S11 N13 R14 C36 A37 P38 | S11-D16 VanDerWaalsContact CB-OD2 3.26Å; S11-D16 WeakPolarHBondContact CB-OD2 3.38Å; S11-D16 PolarHBondContact OG-OD2 3.47Å; N13-D16 PolarHBondContact O-N 2.62Å; R14-D16 PolarHBondContact O-N 3.35Å; D16-C36 CarbonylContact O-C 3.51Å; D16-C36 WeakPolarHBondContact O-CA 3.16Å; D16-A37 PolarHBondContact O-N 2.91Å; D16-P38 HydrophobicContact CB-CG 3.86Å; D16-P38 WeakPolarHBondContact OD1-CG 3.48Å |
| 17 | Y | 98.2 | Very high | 88.7 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 102.6 | -176.1 | -63.4 | -87.8 | 0 | 0 | 0 | 112.1 | S11 N13 R14 D15 L19 Y35 C36 V43 I45 F82 V91 | S11-Y17 VanDerWaalsContact O-CE2 3.3Å; S11-Y17 WeakPolarHBondContact O-CE2 3.38Å; S11-Y17 PolarHBondContact O-OH 3.36Å; N13-Y17 WeakPolarHBondContact O-CD2 3.07Å; R14-Y17 PolarHBondContact O-N 3.07Å; D15-Y17 PolarHBondContact O-N 3.14Å; Y17-L19 PolarHBondContact O-N 2.91Å; Y17-Y35 WeakPolarHBondContact CA-O 3.47Å; Y17-C36 HydrophobicContact CD1-CB 3.82Å; Y17-C36 HydrophobicContact CE1-CB 3.62Å; Y17-C36 WeakPolarHBondContact CE1-SG 3.46Å; Y17-V43 HydrophobicContact CD1-CG2 4.1Å; Y17-V43 HydrophobicContact CE1-CG2 4.22Å; Y17-I45 HydrophobicContact CD1-CD1 3.84Å; Y17-I45 HydrophobicContact CG-CD1 4.01Å; Y17-F82 HydrophobicContact CD2-CE1 4.14Å; Y17-F82 AromaticContact CD2-CZ 3.64Å; Y17-F82 HydrophobicContact CD2-CZ 3.64Å; Y17-F82 AromaticContact CE2-CE1 3.57Å; Y17-F82 HydrophobicContact CE2-CE1 3.57Å; Y17-F82 AromaticContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CG-CZ 4.49Å; Y17-V91 HydrophobicContact CE1-CG1 3.81Å; Y17-V91 HydrophobicContact CE1-CG2 4.1Å |
| 18 | E | 98 | Very high | 88.3 | Confident | 116 Ų | 116 | 63.8 Ų | 63.8 | 54% | 0.542 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 110.5 | 171.8 | -173.8 | -162.3 | 116 | 0 | 0 | 109.4 | Q20 A34 Y35 | E18-Q20 PolarHBondContact OE1-NE2 2.85Å; E18-A34 CarbonylContact O-C 3.53Å; E18-A34 WeakPolarHBondContact O-CA 3.14Å; E18-A34 WeakPolarHBondContact O-CB 3.42Å; E18-Y35 PolarHBondContact N-O 2.75Å; E18-Y35 PolarHBondContact O-N 3.48Å |
| 19 | L | 96.8 | Very high | 88.2 | Confident | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.288 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.4 | 131.1 | 177.8 | -68.9 | -176.8 | 0 | 0 | 0 | 111.7 | Y17 Q32 A34 I45 W89 | Y17-L19 PolarHBondContact O-N 2.91Å; L19-Q32 HydrophobicContact CD2-CG 4.48Å; L19-A34 HydrophobicContact CD2-CB 4.12Å; L19-I45 HydrophobicContact CD2-CD1 4.13Å; L19-W89 HydrophobicContact CD1-CH2 3.76Å; L19-W89 HydrophobicContact CD1-CZ2 4.12Å; L19-W89 HydrophobicContact CD2-CH2 3.88Å; L19-W89 HydrophobicContact CD2-CZ3 4.06Å; L19-W89 HydrophobicContact CG-CH2 3.97Å |
| 20 | Q | 94.6 | Very high | 88 | Confident | 47 Ų | 47 | 56.1 Ų | 56.1 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -143.7 | -177.7 | -56.3 | -169.8 | -25.3 | 0 | 0 | 110.2 | E18 Q32 A33 K42 | E18-Q20 PolarHBondContact OE1-NE2 2.85Å; Q20-Q32 PolarHBondContact O-NE2 2.72Å; Q20-A33 WeakPolarHBondContact CA-O 3.38Å; Q20-A33 HydrophobicContact CB-CB 4.13Å; Q20-A33 PolarHBondContact N-O 3.18Å; Q20-K42 VanDerWaalsContact OE1-CE 3.23Å |
| 21 | E | 90.4 | Very high | 87.8 | Confident | 50 Ų | 50 | 55.6 Ų | 55.6 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 141.6 | -175.7 | 62.8 | -90.9 | -143.9 | 0 | 0 | 114.3 | I23 Q32 A33 A315 | E21-I23 PolarHBondContact O-N 2.61Å; E21-Q32 WeakPolarHBondContact O-CG 3.47Å; E21-A33 HydrophobicContact CG-CB 4.14Å; E21-A33 PolarHBondContact O-N 3.41Å; E21-A315 HydrophobicContact CB-CB 4.27Å; E21-A315 HydrophobicContact CG-CB 4.3Å |
| 22 | V | 89.7 | Confident | 87.7 | Confident | 46 Ų | 46 | 55.4 Ų | 55.4 | 28% | 0.279 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 123.7 | 168.5 | 177.2 | 0 | 0 | 0 | 0 | 108.3 | V30 Q32 A315 V318 | V22-V30 HydrophobicContact CG1-CG1 3.71Å; V22-V30 HydrophobicContact CG2-CG1 4.26Å; V22-Q32 HydrophobicContact CG2-CG 4.08Å; V22-A315 WeakPolarHBondContact O-CB 3.35Å; V22-V318 HydrophobicContact CG1-CG1 3.86Å |
| 23 | I | 86.2 | Confident | 87.6 | Confident | 42 Ų | 42 | 49.8 Ų | 49.8 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | -37.8 | -177.5 | -52.4 | 172.1 | 0 | 0 | 0 | 109.8 | E21 V31 A33 L94 I311 | E21-I23 PolarHBondContact O-N 2.61Å; I23-V31 HydrophobicContact CB-CG1 4.29Å; I23-V31 HydrophobicContact CD1-CG1 4.27Å; I23-V31 PolarHBondContact N-O 3.34Å; I23-A33 HydrophobicContact CD1-CB 4.07Å; I23-A33 HydrophobicContact CG1-CB 4.28Å; I23-L94 HydrophobicContact CD1-CD1 3.54Å; I23-I311 HydrophobicContact CD1-CD1 3.98Å; I23-I311 HydrophobicContact CG1-CD1 4.04Å; I23-I311 HydrophobicContact CG2-CD1 4.35Å; I23-I311 HydrophobicContact CG2-CG1 4.37Å |
| 24 | G | 77.2 | Confident | 87.7 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 24% | 0.237 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -165.1 | 159.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V31 | G24-V31 PolarHBondContact N-O 2.84Å; G24-V31 VanDerWaalsContact N-O 3.16Å; G24-V31 PolarHBondContact O-N 3.01Å |
| 25 | S | 74.4 | Confident | 87.7 | Confident | 85 Ų | 85 | 44.8 Ų | 44.8 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.5 | 178.9 | -170.5 | 0 | 0 | 0 | 0 | 110 | ||
| 26 | G | 66.8 | Low | 87.7 | Confident | 47 Ų | 47 | 39.4 Ų | 39.4 | 49% | 0.485 | 23% | 0.232 | S | C | . | . | trans | -117.4 | -171.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | A29 | G26-A29 PolarHBondContact N-O 3.05Š| ||
| 27 | A | 61.7 | Low | 87.7 | Confident | 26 Ų | 26 | 39.9 Ų | 39.9 | 22% | 0.215 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -64.3 | -41.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | K52 S470 A471 | A27-K52 WeakPolarHBondContact O-CD 2.87Å; A27-K52 PolarHBondContact O-NZ 2.74Å; A27-S470 WeakPolarHBondContact CB-O 3.5Å; A27-A471 VanDerWaalsContact CB-C 3.42Å; A27-A471 WeakPolarHBondContact CB-O 3.28Å |
| 28 | T | 67.7 | Low | 87.6 | Confident | 61 Ų | 61 | 42.2 Ų | 42.2 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -102.5 | -20.6 | -173.3 | 50.2 | 0 | 0 | 0 | 0 | 114.4 | N49 | T28-N49 PolarHBondContact O-N 3.09Š|
| 29 | A | 80.6 | Confident | 87.5 | Confident | 15 Ų | 15 | 37.7 Ų | 37.7 | 12% | 0.124 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 151 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114 | G26 K46 R47 I48 | G26-A29 PolarHBondContact N-O 3.05Å; A29-K46 HydrophobicContact CB-CG 4.23Å; A29-R47 CarbonylContact C-O 3.57Å; A29-R47 WeakPolarHBondContact CA-O 3.38Å; A29-I48 HydrophobicContact CB-CB 4.37Å; A29-I48 HydrophobicContact CB-CG1 3.91Å |
| 30 | V | 88.1 | Confident | 87.4 | Confident | 30 Ų | 30 | 42.2 Ų | 42.2 | 18% | 0.182 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 130.4 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | V22 K46 R47 | V22-V30 HydrophobicContact CG1-CG1 3.71Å; V22-V30 HydrophobicContact CG2-CG1 4.26Å; V30-K46 WeakPolarHBondContact O-CA 3.48Å; V30-R47 PolarHBondContact N-O 3.25Å; V30-R47 PolarHBondContact O-N 3.13Å |
| 31 | V | 91.2 | Very high | 87.5 | Confident | 41 Ų | 41 | 43 Ų | 43 | 25% | 0.248 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 120.7 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | I23 G24 K46 | I23-V31 HydrophobicContact CB-CG1 4.29Å; I23-V31 HydrophobicContact CD1-CG1 4.27Å; I23-V31 PolarHBondContact N-O 3.34Å; G24-V31 PolarHBondContact N-O 2.84Å; G24-V31 VanDerWaalsContact N-O 3.16Å; G24-V31 PolarHBondContact O-N 3.01Å; V31-K46 HydrophobicContact CG2-CB 4.32Å; V31-K46 HydrophobicContact CG2-CD 4.23Å; V31-K46 HydrophobicContact CG2-CG 3.94Å |
| 32 | Q | 93.9 | Very high | 87.8 | Confident | 22 Ų | 22 | 45.5 Ų | 45.5 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 138.5 | -173 | -168.6 | 164.5 | 0.6 | 0 | 0 | 110.5 | L19 Q20 E21 V22 I45 R47 | L19-Q32 HydrophobicContact CD2-CG 4.48Å; Q20-Q32 PolarHBondContact O-NE2 2.72Å; E21-Q32 WeakPolarHBondContact O-CG 3.47Å; V22-Q32 HydrophobicContact CG2-CG 4.08Å; Q32-I45 PolarHBondContact N-O 2.66Å; Q32-I45 PolarHBondContact O-N 2.94Å; Q32-R47 VanDerWaalsContact OE1-NE 3.07Å |
| 33 | A | 95.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 146.8 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q20 E21 I23 | Q20-A33 WeakPolarHBondContact CA-O 3.38Å; Q20-A33 HydrophobicContact CB-CB 4.13Å; Q20-A33 PolarHBondContact N-O 3.18Å; E21-A33 HydrophobicContact CG-CB 4.14Å; E21-A33 PolarHBondContact O-N 3.41Å; I23-A33 HydrophobicContact CD1-CB 4.07Å; I23-A33 HydrophobicContact CG1-CB 4.28Å |
| 34 | A | 97.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 159.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E18 L19 K42 V43 I45 | E18-A34 CarbonylContact O-C 3.53Å; E18-A34 WeakPolarHBondContact O-CA 3.14Å; E18-A34 WeakPolarHBondContact O-CB 3.42Å; L19-A34 HydrophobicContact CD2-CB 4.12Å; A34-K42 CarbonylContact O-C 3.6Å; A34-K42 WeakPolarHBondContact O-CA 3.45Å; A34-V43 HydrophobicContact CB-CG2 3.97Å; A34-V43 PolarHBondContact N-O 3Å; A34-V43 PolarHBondContact O-N 2.91Å; A34-I45 HydrophobicContact CB-CD1 3.54Å; A34-I45 HydrophobicContact CB-CG1 3.86Å |
| 35 | Y | 98 | Very high | 89.5 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 30% | 0.298 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 120.9 | 169.8 | -177.3 | -111.1 | 0 | 0 | 0 | 109.7 | Y17 E18 A37 K40 K42 | Y17-Y35 WeakPolarHBondContact CA-O 3.47Å; E18-Y35 PolarHBondContact N-O 2.75Å; E18-Y35 PolarHBondContact O-N 3.48Å; Y35-A37 PolarHBondContact O-N 2.9Å; Y35-K40 VanDerWaalsContact CE2-C 3.44Å; Y35-K40 WeakPolarHBondContact CE2-O 3.49Å; Y35-K40 WeakPolarHBondContact OH-CA 3.29Å; Y35-K40 WeakPolarHBondContact OH-CB 3.45Å; Y35-K42 HydrophobicContact CD2-CG 4.22Å |
| 36 | C | 98 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 101.4 | 177 | -175 | 0 | 0 | 0 | 0 | 109.1 | W10 D16 Y17 K39 K40 E41 V43 | W10-C36 HydrophobicContact CZ3-CB 4.04Å; D16-C36 CarbonylContact O-C 3.51Å; D16-C36 WeakPolarHBondContact O-CA 3.16Å; Y17-C36 HydrophobicContact CD1-CB 3.82Å; Y17-C36 HydrophobicContact CE1-CB 3.62Å; Y17-C36 WeakPolarHBondContact CE1-SG 3.46Å; C36-K39 HydrophobicContact CB-CB 4.18Å; C36-K39 PolarHBondContact O-N 3.1Å; C36-K40 WeakPolarHBondContact O-CA 3.38Å; C36-K40 PolarHBondContact O-N 3.43Å; C36-E41 PolarHBondContact N-O 3.12Å; C36-V43 HydrophobicContact CB-CG1 4.39Å |
| 37 | A | 96.8 | Very high | 91.6 | Very high | 54 Ų | 54 | 36.9 Ų | 36.9 | 45% | 0.446 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -41 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D16 Y35 K39 K40 | D16-A37 PolarHBondContact O-N 2.91Å; Y35-A37 PolarHBondContact O-N 2.9Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.83Å; A37-K40 PolarHBondContact O-N 3Å |
| 38 | P | 95.8 | Very high | 92.8 | Very high | 51 Ų | 51 | 35.8 Ų | 35.8 | 33% | 0.331 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -35.6 | 175.8 | -23.5 | 34.8 | 0 | 0 | 0 | 113.6 | D16 | D16-P38 HydrophobicContact CB-CG 3.86Å; D16-P38 WeakPolarHBondContact OD1-CG 3.48Å |
| 39 | K | 95.8 | Very high | 93.6 | Very high | 20 Ų | 20 | 34.1 Ų | 34.1 | 9% | 0.087 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -23.3 | 179.9 | -77.8 | -79.9 | -179.8 | -175.1 | 0 | 113.4 | S5 S6 L8 W10 C36 A37 E41 | S5-K39 WeakPolarHBondContact O-CD 3.11Å; S5-K39 WeakPolarHBondContact O-CE 3.33Å; S5-K39 PolarHBondContact O-NZ 3.07Å; S6-K39 PolarHBondContact O-NZ 3.27Å; L8-K39 WeakPolarHBondContact O-CE 3.1Å; L8-K39 PolarHBondContact O-NZ 2.59Å; W10-K39 HydrophobicContact CD2-CD 4.38Å; W10-K39 HydrophobicContact CD2-CG 4.17Å; W10-K39 HydrophobicContact CE3-CD 4.43Å; W10-K39 HydrophobicContact CE3-CG 3.77Å; W10-K39 HydrophobicContact CH2-CB 4.04Å; W10-K39 HydrophobicContact CH2-CD 4.14Å; W10-K39 HydrophobicContact CH2-CG 3.87Å; W10-K39 HydrophobicContact CZ2-CD 4.09Å; W10-K39 HydrophobicContact CZ2-CG 4.27Å; W10-K39 HydrophobicContact CZ3-CB 3.9Å; W10-K39 HydrophobicContact CZ3-CD 4.33Å; W10-K39 HydrophobicContact CZ3-CG 3.61Å; C36-K39 HydrophobicContact CB-CB 4.18Å; C36-K39 PolarHBondContact O-N 3.1Å; A37-K39 VanDerWaalsContact C-N 3.35Å; A37-K39 PolarHBondContact O-N 2.83Å; K39-E41 HydrophobicContact CB-CB 4.24Å; K39-E41 PolarHBondContact O-N 3.12Å |
| 40 | K | 95.9 | Very high | 93.7 | Very high | 151 Ų | 151 | 35.1 Ų | 35.1 | 66% | 0.657 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 27.5 | -172.1 | -56 | 172.7 | -174.1 | 167.2 | 0 | 113.4 | Y35 C36 A37 | Y35-K40 VanDerWaalsContact CE2-C 3.44Å; Y35-K40 WeakPolarHBondContact CE2-O 3.49Å; Y35-K40 WeakPolarHBondContact OH-CA 3.29Å; Y35-K40 WeakPolarHBondContact OH-CB 3.45Å; C36-K40 WeakPolarHBondContact O-CA 3.38Å; C36-K40 PolarHBondContact O-N 3.43Å; A37-K40 PolarHBondContact O-N 3Å |
| 41 | E | 95.9 | Very high | 93.2 | Very high | 64 Ų | 64 | 41.1 Ų | 41.1 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 143.3 | -175.4 | -168.5 | 178.5 | 144.3 | 0 | 0 | 111.2 | W10 C36 K39 Y79 | W10-E41 HydrophobicContact CH2-CB 4.23Å; W10-E41 HydrophobicContact CH2-CG 4.46Å; W10-E41 WeakPolarHBondContact CH2-OE2 3.45Å; C36-E41 PolarHBondContact N-O 3.12Å; K39-E41 HydrophobicContact CB-CB 4.24Å; K39-E41 PolarHBondContact O-N 3.12Å; E41-Y79 VanDerWaalsContact OE1-CE2 3.27Å; E41-Y79 WeakPolarHBondContact OE1-CE2 3.04Å; E41-Y79 PolarHBondContact OE1-OH 3.3Å |
| 42 | K | 96.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 44.6 Ų | 44.6 | 44% | 0.439 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.9 | 166 | -77.8 | -158.3 | 177.8 | -143.1 | 0 | 110.1 | Q20 A34 Y35 L94 | Q20-K42 VanDerWaalsContact OE1-CE 3.23Å; A34-K42 CarbonylContact O-C 3.6Å; A34-K42 WeakPolarHBondContact O-CA 3.45Å; Y35-K42 HydrophobicContact CD2-CG 4.22Å; K42-L94 HydrophobicContact CB-CD2 3.94Å; K42-L94 HydrophobicContact CD-CD2 4.36Å |
| 43 | V | 97.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 160.7 | -177.7 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | W10 Y17 A34 C36 I45 Y79 V91 | W10-V43 HydrophobicContact CH2-CG1 3.9Å; W10-V43 HydrophobicContact CZ3-CG1 3.71Å; Y17-V43 HydrophobicContact CD1-CG2 4.1Å; Y17-V43 HydrophobicContact CE1-CG2 4.22Å; A34-V43 HydrophobicContact CB-CG2 3.97Å; A34-V43 PolarHBondContact N-O 3Å; A34-V43 PolarHBondContact O-N 2.91Å; C36-V43 HydrophobicContact CB-CG1 4.39Å; V43-I45 HydrophobicContact CG2-CD1 4.46Å; V43-I45 HydrophobicContact CG2-CG1 4.06Å; V43-Y79 HydrophobicContact CG1-CD2 4.04Å; V43-Y79 HydrophobicContact CG1-CE2 3.94Å; V43-V91 HydrophobicContact CB-CG1 4.01Å; V43-V91 HydrophobicContact CG1-CG1 4.22Å; V43-V91 HydrophobicContact CG2-CG1 3.93Å |
| 44 | A | 96.2 | Very high | 89.4 | Confident | 8 Ų | 8 | 50.4 Ų | 50.4 | 7% | 0.066 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | M92 L94 | A44-M92 HydrophobicContact CB-CG 3.88Å; A44-M92 PolarHBondContact N-O 2.62Å; A44-M92 PolarHBondContact O-N 3.29Å; A44-L94 HydrophobicContact CB-CD1 4.06Å |
| 45 | I | 96.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 118.9 | 170.8 | -53.8 | -173.5 | 0 | 0 | 0 | 107.9 | Y17 L19 Q32 A34 V43 R47 W89 L90 V91 | Y17-I45 HydrophobicContact CD1-CD1 3.84Å; Y17-I45 HydrophobicContact CG-CD1 4.01Å; L19-I45 HydrophobicContact CD2-CD1 4.13Å; Q32-I45 PolarHBondContact N-O 2.66Å; Q32-I45 PolarHBondContact O-N 2.94Å; A34-I45 HydrophobicContact CB-CD1 3.54Å; A34-I45 HydrophobicContact CB-CG1 3.86Å; V43-I45 HydrophobicContact CG2-CD1 4.46Å; V43-I45 HydrophobicContact CG2-CG1 4.06Å; I45-R47 HydrophobicContact CG2-CG 3.8Å; I45-W89 HydrophobicContact CD1-CE3 3.88Å; I45-W89 HydrophobicContact CD1-CZ3 3.98Å; I45-W89 HydrophobicContact CG2-CB 3.83Å; I45-W89 HydrophobicContact CG2-CD2 3.86Å; I45-W89 HydrophobicContact CG2-CE3 3.78Å; I45-W89 HydrophobicContact CG2-CG 3.91Å; I45-L90 WeakPolarHBondContact CA-O 3.36Å; I45-V91 HydrophobicContact CD1-CG2 4.47Å; I45-V91 HydrophobicContact CG1-CG2 4.36Å |
| 46 | K | 92.9 | Very high | 86.6 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 7% | 0.074 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 108.3 | 170 | -170.4 | 171.5 | -163.9 | 179.6 | 0 | 108.6 | A29 V30 V31 I48 L90 M92 D164 S168 | A29-K46 HydrophobicContact CB-CG 4.23Å; V30-K46 WeakPolarHBondContact O-CA 3.48Å; V31-K46 HydrophobicContact CG2-CB 4.32Å; V31-K46 HydrophobicContact CG2-CD 4.23Å; V31-K46 HydrophobicContact CG2-CG 3.94Å; K46-I48 HydrophobicContact CG-CG1 4.15Å; K46-L90 HydrophobicContact CB-CB 4.35Å; K46-L90 PolarHBondContact N-O 2.89Å; K46-L90 PolarHBondContact O-N 3.22Å; K46-M92 HydrophobicContact CB-CE 3.68Å; K46-D164 IonicContact NZ-OD1 2.71Å; K46-D164 PolarHBondContact NZ-OD1 3.27Å; K46-D164 IonicContact NZ-OD2 3.51Å; K46-D164 PolarHBondContact NZ-OD2 2.81Å; K46-S168 PolarHBondContact NZ-OG 2.67Å |
| 47 | R | 92.4 | Very high | 85.5 | Confident | 38 Ų | 38 | 53.9 Ų | 53.9 | 14% | 0.143 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 105.6 | -178 | -54.4 | -168.3 | -69.7 | 103.6 | 0.4 | 108.2 | A29 V30 Q32 I45 E87 W89 | A29-R47 CarbonylContact C-O 3.57Å; A29-R47 WeakPolarHBondContact CA-O 3.38Å; V30-R47 PolarHBondContact N-O 3.25Å; V30-R47 PolarHBondContact O-N 3.13Å; Q32-R47 VanDerWaalsContact OE1-NE 3.07Å; I45-R47 HydrophobicContact CG2-CG 3.8Å; R47-E87 WeakPolarHBondContact CD-OE2 3.47Å; R47-E87 IonicContact CZ-OE1 3.45Å; R47-E87 IonicContact CZ-OE2 3.7Å; R47-E87 IonicContact NH1-OE1 2.76Å; R47-E87 PolarHBondContact NH1-OE1 2.87Å; R47-E87 IonicContact NH1-OE2 3.59Å; R47-E87 PolarHBondContact NH1-OE2 3.42Å; R47-W89 VanDerWaalsContact CD-CZ2 3.48Å; R47-W89 HydrophobicContact CG-CD2 4.1Å; R47-W89 HydrophobicContact CG-CG 4.05Å; R47-W89 HydrophobicContact CG-CZ2 4.44Å |
| 48 | I | 87 | Confident | 84.5 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 114.8 | -175.7 | -54.9 | 178.1 | 0 | 0 | 0 | 108.1 | A29 K46 L50 C53 E87 L88 L90 V167 L171 | A29-I48 HydrophobicContact CB-CB 4.37Å; A29-I48 HydrophobicContact CB-CG1 3.91Å; K46-I48 HydrophobicContact CG-CG1 4.15Å; I48-L50 PolarHBondContact O-N 3.49Å; I48-C53 WeakPolarHBondContact CG2-SG 3.47Å; I48-E87 CarbonylContact O-C 3.59Å; I48-E87 VanDerWaalsContact O-CA 3.31Å; I48-E87 WeakPolarHBondContact O-CA 3.48Å; I48-L88 HydrophobicContact CB-CB 4.44Å; I48-L88 PolarHBondContact N-O 2.9Å; I48-L88 PolarHBondContact O-N 3.47Å; I48-L90 HydrophobicContact CD1-CD1 3.73Å; I48-L90 HydrophobicContact CD1-CG 4.19Å; I48-V167 HydrophobicContact CD1-CG1 3.7Å; I48-L171 HydrophobicContact CD1-CD1 4.45Å; I48-L171 HydrophobicContact CG2-CD1 4.02Å |
| 49 | N | 84.8 | Confident | 83.5 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.139 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 121.5 | 175.7 | 167.2 | -82.5 | 0 | 0 | 0 | 109.4 | T28 E51 K52 C53 D86 | T28-N49 PolarHBondContact O-N 3.09Å; N49-E51 PolarHBondContact OD1-N 2.98Å; N49-K52 HydrophobicContact CB-CD 4.35Å; N49-K52 VanDerWaalsContact OD1-CB 3.3Å; N49-K52 WeakPolarHBondContact OD1-CB 3.29Å; N49-K52 VanDerWaalsContact OD1-CG 3.22Å; N49-K52 WeakPolarHBondContact OD1-CG 3.46Å; N49-K52 PolarHBondContact OD1-N 3.31Å; N49-C53 PolarHBondContact O-SG 3.18Å; N49-D86 PolarHBondContact ND2-OD2 3.11Å |
| 50 | L | 81.9 | Confident | 82.7 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -36.7 | -170.8 | -70.1 | 170.1 | 0 | 0 | 0 | 112.4 | I48 K52 C53 M57 L60 V83 D86 L88 | I48-L50 PolarHBondContact O-N 3.49Å; L50-K52 PolarHBondContact O-N 2.91Å; L50-C53 PolarHBondContact O-N 2.9Å; L50-C53 VanDerWaalsContact O-N 3.15Å; L50-M57 HydrophobicContact CD1-SD 3.91Å; L50-M57 HydrophobicContact CD2-SD 3.74Å; L50-M57 HydrophobicContact CG-SD 4.47Å; L50-L60 HydrophobicContact CD2-CD1 3.44Å; L50-L60 VanDerWaalsContact CD2-CD1 3.44Å; L50-V83 HydrophobicContact CD1-CG1 4.16Å; L50-V83 HydrophobicContact CD1-CG2 4.49Å; L50-D86 WeakPolarHBondContact CB-O 3.36Å; L50-D86 WeakPolarHBondContact CG-O 3.5Å; L50-D86 PolarHBondContact N-O 2.57Å; L50-L88 HydrophobicContact CD1-CB 4.41Å; L50-L88 HydrophobicContact CD2-CB 3.79Å; L50-L88 HydrophobicContact CG-CB 4.15Å |
| 51 | E | 78.3 | Confident | 81.9 | Confident | 156 Ų | 156 | 52.9 Ų | 52.9 | 73% | 0.729 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -62.1 | -44 | -178.3 | -57.3 | -177.8 | 140.2 | 0 | 0 | 111.6 | N49 C53 | N49-E51 PolarHBondContact OD1-N 2.98Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.07Å |
| 52 | K | 70.4 | Confident | 81 | Confident | 114 Ų | 114 | 56.5 Ų | 56.5 | 50% | 0.496 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -64.1 | -27.4 | 175.5 | -77.2 | 176.6 | 169 | -170 | 0 | 114.1 | A27 N49 L50 Q54 | A27-K52 WeakPolarHBondContact O-CD 2.87Å; A27-K52 PolarHBondContact O-NZ 2.74Å; N49-K52 HydrophobicContact CB-CD 4.35Å; N49-K52 VanDerWaalsContact OD1-CB 3.3Å; N49-K52 WeakPolarHBondContact OD1-CB 3.29Å; N49-K52 VanDerWaalsContact OD1-CG 3.22Å; N49-K52 WeakPolarHBondContact OD1-CG 3.46Å; N49-K52 PolarHBondContact OD1-N 3.31Å; L50-K52 PolarHBondContact O-N 2.91Å; K52-Q54 PolarHBondContact O-N 3.04Å |
| 53 | C | 63.5 | Low | 80.2 | Confident | 11 Ų | 11 | 52.7 Ų | 52.7 | 7% | 0.074 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -81.5 | -11.9 | -167.8 | -72.1 | 0 | 0 | 0 | 0 | 114.9 | I48 N49 L50 E51 T55 L171 | I48-C53 WeakPolarHBondContact CG2-SG 3.47Å; N49-C53 PolarHBondContact O-SG 3.18Å; L50-C53 PolarHBondContact O-N 2.9Å; L50-C53 VanDerWaalsContact O-N 3.15Å; E51-C53 VanDerWaalsContact C-N 3.28Å; E51-C53 PolarHBondContact O-N 3.07Å; C53-T55 VanDerWaalsContact C-N 3.26Å; C53-T55 HydrophobicContact CB-CG2 4.07Å; C53-T55 PolarHBondContact O-N 3.15Å; C53-T55 VanDerWaalsContact O-N 3.15Å; C53-L171 HydrophobicContact CB-CD1 4.49Å; C53-L171 HydrophobicContact CB-CD2 3.84Å |
| 54 | Q | 65.5 | Low | 79.6 | Confident | 133 Ų | 133 | 53.3 Ų | 53.3 | 62% | 0.621 | 26% | 0.262 | S | S | * | . | trans | 45.3 | 46.7 | 176.9 | -62.2 | -174.1 | -0.4 | 0 | 0 | 114 | K52 R183 | K52-Q54 PolarHBondContact O-N 3.04Å; Q54-R183 VanDerWaalsContact CB-NH2 3.3Å; Q54-R183 PolarHBondContact O-NH2 3.22Å; Q54-R183 VanDerWaalsContact O-NH2 3.09Å | ||
| 55 | T | 66.1 | Low | 78.9 | Confident | 35 Ų | 35 | 58.4 Ų | 58.4 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | trans | -138.6 | 158.1 | 178.3 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | C53 E59 L60 L171 | C53-T55 VanDerWaalsContact C-N 3.26Å; C53-T55 HydrophobicContact CB-CG2 4.07Å; C53-T55 PolarHBondContact O-N 3.15Å; C53-T55 VanDerWaalsContact O-N 3.15Å; T55-E59 WeakPolarHBondContact OG1-CB 3.31Å; T55-E59 PolarHBondContact OG1-OE2 2.81Å; T55-L60 HydrophobicContact CG2-CD1 3.85Å; T55-L60 HydrophobicContact CG2-CD2 3.86Å; T55-L60 HydrophobicContact CG2-CG 3.72Å; T55-L171 HydrophobicContact CG2-CD2 3.84Å | ||
| 56 | S | 71.6 | Confident | 78.1 | Confident | 44 Ų | 44 | 59 Ų | 59 | 31% | 0.308 | 29% | 0.29 | S | S | . | . | trans | -79.5 | 150.3 | 175.9 | 61.6 | 0 | 0 | 0 | 0 | 111.9 | D58 E59 L60 | S56-D58 PolarHBondContact O-N 3.25Å; S56-E59 PolarHBondContact N-OE2 3.15Å; S56-E59 PolarHBondContact O-N 2.82Å; S56-E59 VanDerWaalsContact O-N 3.12Å; S56-E59 WeakPolarHBondContact OG-CB 3.32Å; S56-E59 VanDerWaalsContact OG-CG 3.23Å; S56-E59 WeakPolarHBondContact OG-CG 3.39Å; S56-E59 PolarHBondContact OG-N 3.49Å; S56-E59 PolarHBondContact OG-OE2 3.28Å; S56-L60 PolarHBondContact O-N 2.77Å; S56-L60 VanDerWaalsContact O-N 3.14Å | ||
| 57 | M | 75.8 | Confident | 77.7 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.5 | -30 | 169.6 | -74.1 | -59.5 | -59.3 | 0 | 0 | 111.9 | L50 E59 L60 L61 V83 | L50-M57 HydrophobicContact CD1-SD 3.91Å; L50-M57 HydrophobicContact CD2-SD 3.74Å; L50-M57 HydrophobicContact CG-SD 4.47Å; M57-E59 VanDerWaalsContact C-N 3.33Å; M57-E59 PolarHBondContact O-N 2.98Å; M57-L60 PolarHBondContact O-N 2.82Å; M57-L60 HydrophobicContact SD-CD1 3.88Å; M57-L61 VanDerWaalsContact O-CB 3.28Å; M57-L61 WeakPolarHBondContact O-CB 3.23Å; M57-L61 WeakPolarHBondContact O-CD1 3.44Å; M57-L61 WeakPolarHBondContact O-CG 3.48Å; M57-L61 PolarHBondContact O-N 2.98Å; M57-V83 HydrophobicContact CE-CG2 4.14Å |
| 58 | D | 75.9 | Confident | 77.3 | Confident | 115 Ų | 115 | 59.6 Ų | 59.6 | 62% | 0.615 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -68.5 | -28.4 | 177.1 | -59.4 | -29.5 | 0 | 0 | 0 | 113.5 | S56 K62 | S56-D58 PolarHBondContact O-N 3.25Å; D58-K62 WeakPolarHBondContact O-CD 3.47Å; D58-K62 WeakPolarHBondContact O-CG 3.1Å |
| 59 | E | 73.7 | Confident | 77.2 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 21% | 0.206 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -76.4 | -46.7 | 172.3 | -75.5 | 153.6 | 167.9 | 0 | 0 | 110 | T55 S56 M57 L61 K62 E63 F170 R179 | T55-E59 WeakPolarHBondContact OG1-CB 3.31Å; T55-E59 PolarHBondContact OG1-OE2 2.81Å; S56-E59 PolarHBondContact N-OE2 3.15Å; S56-E59 PolarHBondContact O-N 2.82Å; S56-E59 VanDerWaalsContact O-N 3.12Å; S56-E59 WeakPolarHBondContact OG-CB 3.32Å; S56-E59 VanDerWaalsContact OG-CG 3.23Å; S56-E59 WeakPolarHBondContact OG-CG 3.39Å; S56-E59 PolarHBondContact OG-N 3.49Å; S56-E59 PolarHBondContact OG-OE2 3.28Å; M57-E59 VanDerWaalsContact C-N 3.33Å; M57-E59 PolarHBondContact O-N 2.98Å; E59-L61 PolarHBondContact O-N 3.25Å; E59-K62 PolarHBondContact O-N 3.09Å; E59-E63 PolarHBondContact O-N 3.41Å; E59-F170 HydrophobicContact CB-CE1 4.17Å; E59-F170 HydrophobicContact CB-CZ 3.96Å; E59-F170 HydrophobicContact CG-CZ 4.3Å; E59-R179 IonicContact OE1-NH1 2.63Å; E59-R179 PolarHBondContact OE1-NH1 2.92Å |
| 60 | L | 78.5 | Confident | 77.2 | Confident | 2 Ų | 2 | 64.5 Ų | 64.5 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.9 | -44.1 | 175.7 | -68.3 | 171.6 | 0 | 0 | 0 | 112.4 | L50 T55 S56 M57 K62 E63 I64 L88 V167 L171 | L50-L60 HydrophobicContact CD2-CD1 3.44Å; L50-L60 VanDerWaalsContact CD2-CD1 3.44Å; T55-L60 HydrophobicContact CG2-CD1 3.85Å; T55-L60 HydrophobicContact CG2-CD2 3.86Å; T55-L60 HydrophobicContact CG2-CG 3.72Å; S56-L60 PolarHBondContact O-N 2.77Å; S56-L60 VanDerWaalsContact O-N 3.14Å; M57-L60 PolarHBondContact O-N 2.82Å; M57-L60 HydrophobicContact SD-CD1 3.88Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 2.65Å; L60-E63 PolarHBondContact O-N 3.22Å; L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.35Å; L60-I64 PolarHBondContact O-N 3.13Å; L60-L88 HydrophobicContact CD1-CD2 4.31Å; L60-V167 HydrophobicContact CD2-CG1 3.64Å; L60-V167 HydrophobicContact CD2-CG2 4.46Å; L60-L171 HydrophobicContact CD2-CD1 4.36Å |
| 61 | L | 79 | Confident | 77.7 | Confident | 93 Ų | 93 | 68.9 Ų | 68.9 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.9 | -32.8 | -178.9 | -77.5 | 167.6 | 0 | 0 | 0 | 113.1 | M57 E59 I64 Q65 | M57-L61 VanDerWaalsContact O-CB 3.28Å; M57-L61 WeakPolarHBondContact O-CB 3.23Å; M57-L61 WeakPolarHBondContact O-CD1 3.44Å; M57-L61 WeakPolarHBondContact O-CG 3.48Å; M57-L61 PolarHBondContact O-N 2.98Å; E59-L61 PolarHBondContact O-N 3.25Å; L61-I64 HydrophobicContact CD2-CD1 4.42Å; L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.43Å; L61-Q65 PolarHBondContact O-N 2.87Å |
| 62 | K | 77.7 | Confident | 78.5 | Confident | 140 Ų | 140 | 63.5 Ų | 63.5 | 61% | 0.609 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -68.3 | -44 | 174.5 | -70.5 | 166.9 | -174.3 | 171 | 0 | 111.8 | D58 E59 L60 Q65 A66 | D58-K62 WeakPolarHBondContact O-CD 3.47Å; D58-K62 WeakPolarHBondContact O-CG 3.1Å; E59-K62 PolarHBondContact O-N 3.09Å; L60-K62 VanDerWaalsContact C-N 3.3Å; L60-K62 PolarHBondContact O-N 2.65Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.25Å; K62-A66 PolarHBondContact O-N 3.07Å |
| 63 | E | 79.9 | Confident | 79.7 | Confident | 22 Ų | 22 | 62.4 Ų | 62.4 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 177.9 | -69.3 | -75.1 | 179.6 | 0 | 0 | 111 | E59 L60 A66 M67 R145 G166 V167 F170 | E59-E63 PolarHBondContact O-N 3.41Å; L60-E63 PolarHBondContact O-N 3.22Å; E63-A66 PolarHBondContact O-N 3.13Å; E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.37Å; E63-M67 PolarHBondContact O-N 3.44Å; E63-R145 IonicContact OE1-CZ 2.69Å; E63-R145 IonicContact OE1-NH1 3.38Å; E63-R145 PolarHBondContact OE1-NH1 3.01Å; E63-R145 IonicContact OE1-NH2 3.55Å; E63-R145 PolarHBondContact OE1-NH2 2.64Å; E63-R145 IonicContact OE2-NH1 3.75Å; E63-G166 VanDerWaalsContact OE2-CA 3.3Å; E63-G166 WeakPolarHBondContact OE2-CA 3.4Å; E63-V167 HydrophobicContact CB-CB 4.45Å; E63-V167 HydrophobicContact CB-CG2 3.74Å; E63-F170 HydrophobicContact CG-CB 3.82Å; E63-F170 HydrophobicContact CG-CD1 4.5Å; E63-F170 HydrophobicContact CG-CD2 4Å; E63-F170 HydrophobicContact CG-CG 3.87Å; E63-F170 VanDerWaalsContact OE1-CD2 3.32Å; E63-F170 WeakPolarHBondContact OE1-CD2 3.38Å |
| 64 | I | 84.4 | Confident | 81.4 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.067 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61 | -42.8 | 168.3 | -66.8 | 165.1 | 0 | 0 | 0 | 111 | L60 L61 A66 M67 S68 Y78 L88 L90 V167 | L60-I64 VanDerWaalsContact O-CG1 3.26Å; L60-I64 WeakPolarHBondContact O-CG1 3.35Å; L60-I64 PolarHBondContact O-N 3.13Å; L61-I64 HydrophobicContact CD2-CD1 4.42Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 2.84Å; I64-M67 PolarHBondContact O-N 2.89Å; I64-S68 WeakPolarHBondContact O-CB 3.5Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 PolarHBondContact O-OG 3.18Å; I64-Y78 WeakPolarHBondContact CG2-OH 3.49Å; I64-L88 HydrophobicContact CD1-CD1 4.12Å; I64-L88 HydrophobicContact CD1-CD2 4.04Å; I64-L90 HydrophobicContact CG1-CD2 4.33Å; I64-V167 HydrophobicContact CG1-CG2 3.61Å |
| 65 | Q | 82.4 | Confident | 82.8 | Confident | 115 Ų | 115 | 56.5 Ų | 56.5 | 54% | 0.537 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -35.7 | 178.1 | -175.2 | 179.5 | 5.2 | 0 | 0 | 112.2 | L61 K62 S68 Q69 | L61-Q65 VanDerWaalsContact O-CB 3.31Å; L61-Q65 WeakPolarHBondContact O-CB 3.43Å; L61-Q65 PolarHBondContact O-N 2.87Å; K62-Q65 WeakPolarHBondContact O-CB 3.42Å; K62-Q65 PolarHBondContact O-N 3.25Å; Q65-S68 PolarHBondContact O-OG 3.2Å; Q65-S68 VanDerWaalsContact O-OG 3.13Å; Q65-Q69 WeakPolarHBondContact O-CG 3.4Å; Q65-Q69 PolarHBondContact O-N 2.97Å |
| 66 | A | 79.2 | Confident | 84.2 | Confident | 13 Ų | 13 | 55.6 Ų | 55.6 | 11% | 0.107 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.6 | -44.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K62 E63 I64 S68 Q69 C70 | K62-A66 PolarHBondContact O-N 3.07Å; E63-A66 PolarHBondContact O-N 3.13Å; I64-A66 VanDerWaalsContact C-N 3.34Å; I64-A66 PolarHBondContact O-N 2.84Å; A66-S68 PolarHBondContact O-N 3.39Å; A66-Q69 PolarHBondContact O-N 3.43Å; A66-C70 PolarHBondContact O-N 3.47Å; A66-C70 PolarHBondContact O-SG 2.91Å |
| 67 | M | 83.7 | Confident | 85.1 | Confident | 18 Ų | 18 | 55.4 Ų | 55.4 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 175.6 | -68.4 | 172.6 | 74.8 | 0 | 0 | 112.6 | E63 I64 Q69 C70 Y78 L90 F165 V167 | E63-M67 VanDerWaalsContact O-CG 3.27Å; E63-M67 WeakPolarHBondContact O-CG 3.37Å; E63-M67 PolarHBondContact O-N 3.44Å; I64-M67 PolarHBondContact O-N 2.89Å; M67-Q69 PolarHBondContact O-N 2.65Å; M67-C70 PolarHBondContact O-N 3.1Å; M67-C70 VanDerWaalsContact O-N 3.12Å; M67-Y78 HydrophobicContact CB-CG 4.36Å; M67-Y78 HydrophobicContact CE-CD2 4.16Å; M67-L90 HydrophobicContact CE-CD1 4.38Å; M67-F165 HydrophobicContact CG-CD1 3.94Å; M67-F165 HydrophobicContact CG-CE1 4.22Å; M67-V167 HydrophobicContact SD-CB 4.11Å; M67-V167 HydrophobicContact SD-CG2 4.01Å; M67-V167 PolarHBondContact SD-N 3.46Å |
| 68 | S | 85 | Confident | 85.9 | Confident | 48 Ų | 48 | 53.5 Ų | 53.5 | 34% | 0.336 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.6 | -15.3 | -176.7 | 71 | 0 | 0 | 0 | 0 | 114.3 | I64 Q65 A66 H71 | I64-S68 WeakPolarHBondContact O-CB 3.5Å; I64-S68 PolarHBondContact O-N 2.86Å; I64-S68 PolarHBondContact O-OG 3.18Å; Q65-S68 PolarHBondContact O-OG 3.2Å; Q65-S68 VanDerWaalsContact O-OG 3.13Å; A66-S68 PolarHBondContact O-N 3.39Å; S68-H71 PolarHBondContact O-CE1 3.21Å; S68-H71 VanDerWaalsContact O-CE1 3.22Å |
| 69 | Q | 84.3 | Confident | 86.7 | Confident | 125 Ų | 125 | 50.4 Ų | 50.4 | 58% | 0.584 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -94.6 | -11.9 | 173.6 | -65.6 | 174.1 | 13.2 | 0 | 0 | 113 | Q65 A66 M67 | Q65-Q69 WeakPolarHBondContact O-CG 3.4Å; Q65-Q69 PolarHBondContact O-N 2.97Å; A66-Q69 PolarHBondContact O-N 3.43Å; M67-Q69 PolarHBondContact O-N 2.65Å |
| 70 | C | 84.9 | Confident | 87.7 | Confident | 7 Ų | 7 | 49.2 Ų | 49.2 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -91.4 | 108.1 | -177.3 | -71.6 | 0 | 0 | 0 | 0 | 111.5 | A66 M67 Y136 F165 | A66-C70 PolarHBondContact O-N 3.47Å; A66-C70 PolarHBondContact O-SG 2.91Å; M67-C70 PolarHBondContact O-N 3.1Å; M67-C70 VanDerWaalsContact O-N 3.12Å; C70-Y136 HydrophobicContact CB-CE1 4.15Å; C70-F165 HydrophobicContact CB-CE1 4.28Å | ||
| 71 | H | 91.1 | Very high | 88.4 | Confident | 128 Ų | 128 | 50.3 Ų | 50.3 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | trans | -131.2 | 107.1 | -179.8 | -62.9 | -14.8 | 0 | 0 | 0 | 110.3 | S68 Y136 | S68-H71 PolarHBondContact O-CE1 3.21Å; S68-H71 VanDerWaalsContact O-CE1 3.22Å; H71-Y136 PolarHBondContact N-OH 2.86Å; H71-Y136 PolarHBondContact O-OH 3.26Å | ||
| 72 | H | 95.8 | Very high | 89.2 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 20% | 0.204 | 24% | 0.239 | C | C | . | . | trans | -149.9 | 142.3 | -179 | -168.4 | -104.1 | 0 | 0 | 0 | 110.3 | N74 I75 E132 Y136 | H72-N74 PolarHBondContact CE1-OD1 3.47Å; H72-N74 VanDerWaalsContact CE1-OD1 3.31Å; H72-N74 PolarHBondContact ND1-N 3.47Å; H72-N74 PolarHBondContact O-N 3.16Å; H72-I75 HydrophobicContact CB-CB 4.23Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.29Å; H72-I75 VanDerWaalsContact O-O 3.11Å; H72-E132 PolarHBondContact CE1-O 2.9Å; H72-Y136 HydrophobicContact CB-CD1 3.63Å; H72-Y136 HydrophobicContact CB-CD2 3.99Å; H72-Y136 HydrophobicContact CB-CE1 3.93Å; H72-Y136 HydrophobicContact CB-CE2 4.26Å; H72-Y136 HydrophobicContact CB-CG 3.67Å; H72-Y136 AromaticContact CD2-CD2 3.51Å; H72-Y136 AromaticContact CD2-CG 3.59Å; H72-Y136 AromaticContact CG-CD2 3.93Å; H72-Y136 AromaticContact CG-CG 3.61Å | ||
| 73 | P | 96.6 | Very high | 89.9 | Confident | 91 Ų | 91 | 43.7 Ų | 43.7 | 59% | 0.591 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.1 | -179.6 | 22.1 | -35.4 | 0 | 0 | 0 | 114.5 | Q161 | P73-Q161 WeakPolarHBondContact O-CG 3.34Å; P73-Q161 PolarHBondContact O-NE2 3.38Å |
| 74 | N | 97.7 | Very high | 90.6 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 13.8 | 177.8 | -50.4 | 101.5 | 0 | 0 | 0 | 114.4 | H72 E129 V160 Q161 I162 | H72-N74 PolarHBondContact CE1-OD1 3.47Å; H72-N74 VanDerWaalsContact CE1-OD1 3.31Å; H72-N74 PolarHBondContact ND1-N 3.47Å; H72-N74 PolarHBondContact O-N 3.16Å; N74-E129 VanDerWaalsContact CB-O 3.22Å; N74-E129 WeakPolarHBondContact CB-O 3.49Å; N74-E129 WeakPolarHBondContact ND2-CB 3.3Å; N74-E129 PolarHBondContact ND2-OE2 2.96Å; N74-V160 PolarHBondContact ND2-O 2.97Å; N74-V160 VanDerWaalsContact ND2-O 3.1Å; N74-Q161 CarbonylContact O-C 3.58Å; N74-Q161 WeakPolarHBondContact O-CA 3.41Å; N74-I162 PolarHBondContact O-N 3.17Å |
| 75 | I | 95.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 52.5 Ų | 52.5 | 4% | 0.036 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -116.6 | 138.4 | 168.8 | -60.5 | -61.6 | 0 | 0 | 0 | 107.7 | H72 S77 Y136 L137 I162 | H72-I75 HydrophobicContact CB-CB 4.23Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.29Å; H72-I75 VanDerWaalsContact O-O 3.11Å; I75-S77 PolarHBondContact O-N 2.84Å; I75-Y136 HydrophobicContact CG1-CD1 4.38Å; I75-L137 HydrophobicContact CD1-CD1 3.77Å; I75-L137 HydrophobicContact CD1-CD2 4.46Å; I75-L137 HydrophobicContact CD1-CG 3.98Å; I75-L137 HydrophobicContact CG1-CG 4.46Å; I75-I162 HydrophobicContact CD1-CB 3.98Å; I75-I162 HydrophobicContact CD1-CD1 3.94Å; I75-I162 HydrophobicContact CD1-CG1 4.15Å |
| 76 | V | 94.5 | Very high | 91.2 | Very high | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | trans | -61.6 | 123.5 | 179.4 | 170.9 | 0 | 0 | 0 | 0 | 109.6 | Y78 M92 L95 L153 Q161 I162 A163 | V76-Y78 PolarHBondContact O-N 2.85Å; V76-M92 HydrophobicContact CG1-CB 4.12Å; V76-M92 HydrophobicContact CG1-CG 4.23Å; V76-M92 HydrophobicContact CG1-SD 4.2Å; V76-L95 HydrophobicContact CG2-CD1 3.75Å; V76-L153 HydrophobicContact CG2-CD1 4.26Å; V76-Q161 HydrophobicContact CG2-CB 3.73Å; V76-I162 WeakPolarHBondContact CG2-O 3.49Å; V76-I162 PolarHBondContact N-O 2.86Å; V76-A163 HydrophobicContact CB-CB 4.47Å; V76-A163 HydrophobicContact CG2-CB 3.8Å | ||
| 77 | S | 92.2 | Very high | 91.8 | Very high | 40 Ų | 40 | 51 Ų | 51 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | trans | -69 | 105.7 | -174.9 | -45.9 | 0 | 0 | 0 | 0 | 110.7 | I75 M92 K93 | I75-S77 PolarHBondContact O-N 2.84Å; S77-M92 CarbonylContact O-C 3.56Å; S77-M92 VanDerWaalsContact O-CA 3.27Å; S77-M92 WeakPolarHBondContact O-CA 3.3Å; S77-M92 WeakPolarHBondContact O-CB 3.2Å; S77-K93 PolarHBondContact O-N 3.29Å | ||
| 78 | Y | 92 | Very high | 92.1 | Very high | 31 Ų | 31 | 50.2 Ų | 50.2 | 12% | 0.122 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 135.5 | 164.8 | 167.7 | -89.7 | 0 | 0 | 0 | 109.7 | I64 M67 V76 T80 S81 L90 | I64-Y78 WeakPolarHBondContact CG2-OH 3.49Å; M67-Y78 HydrophobicContact CB-CG 4.36Å; M67-Y78 HydrophobicContact CE-CD2 4.16Å; V76-Y78 PolarHBondContact O-N 2.85Å; Y78-T80 WeakPolarHBondContact CE2-O 3.46Å; Y78-T80 VanDerWaalsContact CZ-C 3.46Å; Y78-S81 WeakPolarHBondContact OH-CB 3.08Å; Y78-S81 PolarHBondContact OH-N 3.13Å; Y78-S81 VanDerWaalsContact OH-N 3.08Å; Y78-S81 PolarHBondContact OH-OG 3.37Å; Y78-S81 VanDerWaalsContact OH-OG 3.09Å; Y78-L90 HydrophobicContact CE2-CD2 4.42Å |
| 79 | Y | 93.5 | Very high | 92.6 | Very high | 50 Ų | 50 | 48.3 Ų | 48.3 | 20% | 0.196 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | -49.1 | -175 | -67.8 | -19.6 | 0 | 0 | 0 | 112.7 | W10 E41 V43 V91 K93 | W10-Y79 HydrophobicContact CD2-CD2 4.01Å; W10-Y79 AromaticContact CD2-CG 3.98Å; W10-Y79 HydrophobicContact CD2-CG 3.98Å; W10-Y79 AromaticContact CE2-CD1 3.98Å; W10-Y79 AromaticContact CE2-CD2 3.6Å; W10-Y79 AromaticContact CE2-CG 3.53Å; W10-Y79 HydrophobicContact CE3-CD2 4.05Å; W10-Y79 HydrophobicContact CE3-CG 4.44Å; W10-Y79 HydrophobicContact CG-CG 4.5Å; W10-Y79 AromaticContact CH2-CD2 3.39Å; W10-Y79 HydrophobicContact CH2-CD2 3.39Å; W10-Y79 AromaticContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CE2 3.35Å; W10-Y79 HydrophobicContact CH2-CG 4.2Å; W10-Y79 HydrophobicContact CZ2-CD1 4.07Å; W10-Y79 AromaticContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CD2 3.3Å; W10-Y79 HydrophobicContact CZ2-CE1 4.08Å; W10-Y79 AromaticContact CZ2-CE2 3.31Å; W10-Y79 HydrophobicContact CZ2-CE2 3.31Å; W10-Y79 AromaticContact CZ2-CG 3.69Å; W10-Y79 HydrophobicContact CZ2-CG 3.69Å; W10-Y79 AromaticContact CZ2-CZ 3.71Å; W10-Y79 AromaticContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CD2 3.75Å; W10-Y79 HydrophobicContact CZ3-CE2 4.13Å; W10-Y79 AromaticContact NE1-CD1 3.86Å; W10-Y79 AromaticContact NE1-CG 3.75Å; E41-Y79 VanDerWaalsContact OE1-CE2 3.27Å; E41-Y79 WeakPolarHBondContact OE1-CE2 3.04Å; E41-Y79 PolarHBondContact OE1-OH 3.3Å; V43-Y79 HydrophobicContact CG1-CD2 4.04Å; V43-Y79 HydrophobicContact CG1-CE2 3.94Å; Y79-V91 WeakPolarHBondContact CB-O 3.12Å; Y79-V91 HydrophobicContact CD2-CG1 4.26Å; Y79-V91 PolarHBondContact N-O 3.4Å; Y79-K93 HydrophobicContact CE1-CB 4.28Å; Y79-K93 HydrophobicContact CE2-CB 4.29Å |
| 80 | T | 94.3 | Very high | 93 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 12% | 0.117 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.2 | 172.1 | 177.7 | -170.2 | 0 | 0 | 0 | 0 | 110.7 | W10 S11 Y78 F82 V91 | W10-T80 HydrophobicContact CB-CG2 3.74Å; S11-T80 WeakPolarHBondContact O-CG2 2.99Å; Y78-T80 WeakPolarHBondContact CE2-O 3.46Å; Y78-T80 VanDerWaalsContact CZ-C 3.46Å; T80-F82 HydrophobicContact CG2-CD1 4.39Å; T80-F82 HydrophobicContact CG2-CE1 4.33Å; T80-V91 HydrophobicContact CG2-CB 3.86Å; T80-V91 HydrophobicContact CG2-CG2 3.85Å; T80-V91 PolarHBondContact N-O 3.03Å; T80-V91 PolarHBondContact O-N 2.95Å |
| 81 | S | 93.6 | Very high | 93.6 | Very high | 24 Ų | 24 | 42 Ų | 42 | 17% | 0.168 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 146.6 | 171.3 | 68.9 | 0 | 0 | 0 | 0 | 111.9 | Y78 W89 | Y78-S81 WeakPolarHBondContact OH-CB 3.08Å; Y78-S81 PolarHBondContact OH-N 3.13Å; Y78-S81 VanDerWaalsContact OH-N 3.08Å; Y78-S81 PolarHBondContact OH-OG 3.37Å; Y78-S81 VanDerWaalsContact OH-OG 3.09Å; S81-W89 WeakPolarHBondContact CA-O 3.19Å; S81-W89 WeakPolarHBondContact CB-O 3.46Å |
| 82 | F | 94.1 | Very high | 93.7 | Very high | 19 Ų | 19 | 37 Ų | 37 | 8% | 0.083 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 162.2 | 175.6 | 49.4 | -88.9 | 0 | 0 | 0 | 110.5 | I12 R14 Y17 T80 V84 W89 V91 | I12-F82 HydrophobicContact CB-CB 4.17Å; I12-F82 HydrophobicContact CB-CD1 4.25Å; I12-F82 HydrophobicContact CB-CG 4.44Å; I12-F82 HydrophobicContact CG2-CB 4.43Å; I12-F82 HydrophobicContact CG2-CD1 4.33Å; R14-F82 HydrophobicContact CB-CE2 4.19Å; Y17-F82 HydrophobicContact CD2-CE1 4.14Å; Y17-F82 AromaticContact CD2-CZ 3.64Å; Y17-F82 HydrophobicContact CD2-CZ 3.64Å; Y17-F82 AromaticContact CE2-CE1 3.57Å; Y17-F82 HydrophobicContact CE2-CE1 3.57Å; Y17-F82 AromaticContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CE2-CZ 3.57Å; Y17-F82 HydrophobicContact CG-CZ 4.49Å; T80-F82 HydrophobicContact CG2-CD1 4.39Å; T80-F82 HydrophobicContact CG2-CE1 4.33Å; F82-V84 HydrophobicContact CD2-CG2 3.6Å; F82-V84 HydrophobicContact CE2-CG2 3.57Å; F82-W89 HydrophobicContact CD2-CB 4.35Å; F82-W89 HydrophobicContact CE2-CB 4.16Å; F82-W89 HydrophobicContact CE2-CD2 4.13Å; F82-W89 AromaticContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CG 4.39Å; F82-W89 HydrophobicContact CE2-CZ3 4.33Å; F82-W89 HydrophobicContact CZ-CB 4.44Å; F82-W89 AromaticContact CZ-CE3 3.79Å; F82-W89 HydrophobicContact CZ-CE3 3.79Å; F82-W89 PolarHBondContact N-O 3.05Å; F82-W89 VanDerWaalsContact N-O 3.11Å; F82-W89 PolarHBondContact O-N 2.99Å; F82-V91 HydrophobicContact CE1-CG2 3.7Å; F82-V91 HydrophobicContact CZ-CG2 4.27Å |
| 83 | V | 92.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 37.7 Ų | 37.7 | 46% | 0.455 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 131.2 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 109.6 | L50 M57 K85 E87 L88 | L50-V83 HydrophobicContact CD1-CG1 4.16Å; L50-V83 HydrophobicContact CD1-CG2 4.49Å; M57-V83 HydrophobicContact CE-CG2 4.14Å; V83-K85 WeakPolarHBondContact CG1-O 3.38Å; V83-E87 CarbonylContact C-O 3.43Å; V83-E87 WeakPolarHBondContact CA-O 3.45Å; V83-L88 HydrophobicContact CG2-CD1 4.49Å |
| 84 | V | 94.7 | Very high | 93.6 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 16% | 0.158 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 100.1 | 174.9 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | R14 F82 D86 E87 W89 | R14-V84 HydrophobicContact CB-CG2 3.99Å; R14-V84 HydrophobicContact CG-CG1 3.98Å; R14-V84 HydrophobicContact CG-CG2 4.01Å; F82-V84 HydrophobicContact CD2-CG2 3.6Å; F82-V84 HydrophobicContact CE2-CG2 3.57Å; V84-D86 PolarHBondContact O-N 3.39Å; V84-E87 PolarHBondContact N-O 3.12Å; V84-E87 PolarHBondContact O-N 3.37Å; V84-W89 HydrophobicContact CB-CD2 4.21Å; V84-W89 HydrophobicContact CB-CG 4.34Å; V84-W89 HydrophobicContact CB-CZ2 4.27Å; V84-W89 HydrophobicContact CG1-CZ2 4.09Å; V84-W89 HydrophobicContact CG2-CD2 3.6Å; V84-W89 HydrophobicContact CG2-CE3 4.03Å; V84-W89 HydrophobicContact CG2-CG 3.84Å; V84-W89 HydrophobicContact CG2-CZ2 4.2Å; V84-W89 HydrophobicContact CG2-CZ3 4.5Å |
| 85 | K | 91.8 | Very high | 93.5 | Very high | 194 Ų | 194 | 34.6 Ų | 34.6 | 84% | 0.843 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | -114.3 | -173 | -53 | 176 | -177.9 | 179.2 | 0 | 111.3 | V83 | V83-K85 WeakPolarHBondContact CG1-O 3.38Š|
| 86 | D | 88.2 | Confident | 93.3 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 33% | 0.326 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.8 | 178.1 | 59.6 | -67.7 | 0 | 0 | 0 | 113.6 | N49 L50 V84 | N49-D86 PolarHBondContact ND2-OD2 3.11Å; L50-D86 WeakPolarHBondContact CB-O 3.36Å; L50-D86 WeakPolarHBondContact CG-O 3.5Å; L50-D86 PolarHBondContact N-O 2.57Å; V84-D86 PolarHBondContact O-N 3.39Å |
| 87 | E | 91 | Very high | 93.2 | Very high | 35 Ų | 35 | 35 Ų | 35 | 16% | 0.164 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 129.2 | -177.6 | -59.9 | -174.6 | 148.5 | 0 | 0 | 112.6 | R47 I48 V83 V84 W89 | R47-E87 WeakPolarHBondContact CD-OE2 3.47Å; R47-E87 IonicContact CZ-OE1 3.45Å; R47-E87 IonicContact CZ-OE2 3.7Å; R47-E87 IonicContact NH1-OE1 2.76Å; R47-E87 PolarHBondContact NH1-OE1 2.87Å; R47-E87 IonicContact NH1-OE2 3.59Å; R47-E87 PolarHBondContact NH1-OE2 3.42Å; I48-E87 CarbonylContact O-C 3.59Å; I48-E87 VanDerWaalsContact O-CA 3.31Å; I48-E87 WeakPolarHBondContact O-CA 3.48Å; V83-E87 CarbonylContact C-O 3.43Å; V83-E87 WeakPolarHBondContact CA-O 3.45Å; V84-E87 PolarHBondContact N-O 3.12Å; V84-E87 PolarHBondContact O-N 3.37Å; E87-W89 PolarHBondContact OE2-NE1 2.98Å |
| 88 | L | 91.1 | Very high | 93.2 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 118.9 | 159.7 | 167.9 | 64 | 0 | 0 | 0 | 108.8 | I48 L50 L60 I64 V83 L90 | I48-L88 HydrophobicContact CB-CB 4.44Å; I48-L88 PolarHBondContact N-O 2.9Å; I48-L88 PolarHBondContact O-N 3.47Å; L50-L88 HydrophobicContact CD1-CB 4.41Å; L50-L88 HydrophobicContact CD2-CB 3.79Å; L50-L88 HydrophobicContact CG-CB 4.15Å; L60-L88 HydrophobicContact CD1-CD2 4.31Å; I64-L88 HydrophobicContact CD1-CD1 4.12Å; I64-L88 HydrophobicContact CD1-CD2 4.04Å; V83-L88 HydrophobicContact CG2-CD1 4.49Å; L88-L90 HydrophobicContact CD1-CD2 4.07Å; L88-L90 HydrophobicContact CD2-CD2 4.07Å; L88-L90 HydrophobicContact CG-CD2 3.93Å; L88-L90 HydrophobicContact CG-CG 4.48Å |
| 89 | W | 94.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.027 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 117.8 | 175.9 | -74.2 | 25.8 | 0 | 0 | 0 | 109.4 | R14 L19 I45 R47 S81 F82 V84 E87 | R14-W89 HydrophobicContact CG-CH2 3.97Å; R14-W89 HydrophobicContact CG-CZ3 4.09Å; L19-W89 HydrophobicContact CD1-CH2 3.76Å; L19-W89 HydrophobicContact CD1-CZ2 4.12Å; L19-W89 HydrophobicContact CD2-CH2 3.88Å; L19-W89 HydrophobicContact CD2-CZ3 4.06Å; L19-W89 HydrophobicContact CG-CH2 3.97Å; I45-W89 HydrophobicContact CD1-CE3 3.88Å; I45-W89 HydrophobicContact CD1-CZ3 3.98Å; I45-W89 HydrophobicContact CG2-CB 3.83Å; I45-W89 HydrophobicContact CG2-CD2 3.86Å; I45-W89 HydrophobicContact CG2-CE3 3.78Å; I45-W89 HydrophobicContact CG2-CG 3.91Å; R47-W89 VanDerWaalsContact CD-CZ2 3.48Å; R47-W89 HydrophobicContact CG-CD2 4.1Å; R47-W89 HydrophobicContact CG-CG 4.05Å; R47-W89 HydrophobicContact CG-CZ2 4.44Å; S81-W89 WeakPolarHBondContact CA-O 3.19Å; S81-W89 WeakPolarHBondContact CB-O 3.46Å; F82-W89 HydrophobicContact CD2-CB 4.35Å; F82-W89 HydrophobicContact CE2-CB 4.16Å; F82-W89 HydrophobicContact CE2-CD2 4.13Å; F82-W89 AromaticContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CE3 3.6Å; F82-W89 HydrophobicContact CE2-CG 4.39Å; F82-W89 HydrophobicContact CE2-CZ3 4.33Å; F82-W89 HydrophobicContact CZ-CB 4.44Å; F82-W89 AromaticContact CZ-CE3 3.79Å; F82-W89 HydrophobicContact CZ-CE3 3.79Å; F82-W89 PolarHBondContact N-O 3.05Å; F82-W89 VanDerWaalsContact N-O 3.11Å; F82-W89 PolarHBondContact O-N 2.99Å; V84-W89 HydrophobicContact CB-CD2 4.21Å; V84-W89 HydrophobicContact CB-CG 4.34Å; V84-W89 HydrophobicContact CB-CZ2 4.27Å; V84-W89 HydrophobicContact CG1-CZ2 4.09Å; V84-W89 HydrophobicContact CG2-CD2 3.6Å; V84-W89 HydrophobicContact CG2-CE3 4.03Å; V84-W89 HydrophobicContact CG2-CG 3.84Å; V84-W89 HydrophobicContact CG2-CZ2 4.2Å; V84-W89 HydrophobicContact CG2-CZ3 4.5Å; E87-W89 PolarHBondContact OE2-NE1 2.98Å |
| 90 | L | 93.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 116.1 | 169.1 | -52.4 | -178.3 | 0 | 0 | 0 | 108.8 | I45 K46 I48 I64 M67 Y78 L88 M92 V167 | I45-L90 WeakPolarHBondContact CA-O 3.36Å; K46-L90 HydrophobicContact CB-CB 4.35Å; K46-L90 PolarHBondContact N-O 2.89Å; K46-L90 PolarHBondContact O-N 3.22Å; I48-L90 HydrophobicContact CD1-CD1 3.73Å; I48-L90 HydrophobicContact CD1-CG 4.19Å; I64-L90 HydrophobicContact CG1-CD2 4.33Å; M67-L90 HydrophobicContact CE-CD1 4.38Å; Y78-L90 HydrophobicContact CE2-CD2 4.42Å; L88-L90 HydrophobicContact CD1-CD2 4.07Å; L88-L90 HydrophobicContact CD2-CD2 4.07Å; L88-L90 HydrophobicContact CG-CD2 3.93Å; L88-L90 HydrophobicContact CG-CG 4.48Å; L90-M92 HydrophobicContact CB-CE 3.88Å; L90-V167 HydrophobicContact CD1-CB 4.25Å; L90-V167 HydrophobicContact CD1-CG1 4.37Å |
| 91 | V | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.4 | 177.6 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | Y17 V43 I45 Y79 T80 F82 | Y17-V91 HydrophobicContact CE1-CG1 3.81Å; Y17-V91 HydrophobicContact CE1-CG2 4.1Å; V43-V91 HydrophobicContact CB-CG1 4.01Å; V43-V91 HydrophobicContact CG1-CG1 4.22Å; V43-V91 HydrophobicContact CG2-CG1 3.93Å; I45-V91 HydrophobicContact CD1-CG2 4.47Å; I45-V91 HydrophobicContact CG1-CG2 4.36Å; Y79-V91 WeakPolarHBondContact CB-O 3.12Å; Y79-V91 HydrophobicContact CD2-CG1 4.26Å; Y79-V91 PolarHBondContact N-O 3.4Å; T80-V91 HydrophobicContact CG2-CB 3.86Å; T80-V91 HydrophobicContact CG2-CG2 3.85Å; T80-V91 PolarHBondContact N-O 3.03Å; T80-V91 PolarHBondContact O-N 2.95Å; F82-V91 HydrophobicContact CE1-CG2 3.7Å; F82-V91 HydrophobicContact CZ-CG2 4.27Å |
| 92 | M | 94.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 32.6 Ų | 32.6 | 11% | 0.113 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 163.9 | -176.7 | 66.3 | -165.9 | 73.1 | 0 | 0 | 112 | A44 K46 V76 S77 L90 L94 | A44-M92 HydrophobicContact CB-CG 3.88Å; A44-M92 PolarHBondContact N-O 2.62Å; A44-M92 PolarHBondContact O-N 3.29Å; K46-M92 HydrophobicContact CB-CE 3.68Å; V76-M92 HydrophobicContact CG1-CB 4.12Å; V76-M92 HydrophobicContact CG1-CG 4.23Å; V76-M92 HydrophobicContact CG1-SD 4.2Å; S77-M92 CarbonylContact O-C 3.56Å; S77-M92 VanDerWaalsContact O-CA 3.27Å; S77-M92 WeakPolarHBondContact O-CA 3.3Å; S77-M92 WeakPolarHBondContact O-CB 3.2Å; L90-M92 HydrophobicContact CB-CE 3.88Å; M92-L94 PolarHBondContact O-N 2.67Å |
| 93 | K | 94.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 26% | 0.257 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.7 | 132 | 175 | -177.9 | -177.9 | 175.6 | -168.1 | 0 | 111.7 | S77 Y79 L95 | S77-K93 PolarHBondContact O-N 3.29Å; Y79-K93 HydrophobicContact CE1-CB 4.28Å; Y79-K93 HydrophobicContact CE2-CB 4.29Å; K93-L95 HydrophobicContact CD-CD2 4.13Å; K93-L95 HydrophobicContact CG-CD2 4.4Å |
| 94 | L | 95.1 | Very high | 93.2 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 14% | 0.136 | 15% | 0.145 | C | C | . | . | trans | -76.6 | 133.4 | 171.6 | -175.7 | 61.2 | 0 | 0 | 0 | 110.7 | I23 K42 A44 M92 I311 | I23-L94 HydrophobicContact CD1-CD1 3.54Å; K42-L94 HydrophobicContact CB-CD2 3.94Å; K42-L94 HydrophobicContact CD-CD2 4.36Å; A44-L94 HydrophobicContact CB-CD1 4.06Å; M92-L94 PolarHBondContact O-N 2.67Å; L94-I311 HydrophobicContact CD1-CD1 4.05Å | ||
| 95 | L | 94.4 | Very high | 93 | Very high | 12 Ų | 12 | 30.9 Ų | 30.9 | 6% | 0.063 | 15% | 0.153 | C | C | . | . | trans | -122.3 | 87.5 | 175.3 | -67.2 | 178.9 | 0 | 0 | 0 | 110.1 | V76 K93 G97 G98 L153 L154 Q161 | V76-L95 HydrophobicContact CG2-CD1 3.75Å; K93-L95 HydrophobicContact CD-CD2 4.13Å; K93-L95 HydrophobicContact CG-CD2 4.4Å; L95-G97 PolarHBondContact O-N 3.19Å; L95-G98 PolarHBondContact O-N 3.27Å; L95-L153 HydrophobicContact CB-CB 4.15Å; L95-L153 HydrophobicContact CD1-CB 3.5Å; L95-L153 VanDerWaalsContact CD1-CB 3.5Å; L95-L153 HydrophobicContact CD1-CD1 4.24Å; L95-L153 HydrophobicContact CG-CB 4.5Å; L95-L154 CarbonylContact C-O 3.05Å; L95-Q161 HydrophobicContact CD1-CB 3.85Å; L95-Q161 HydrophobicContact CD1-CG 4.07Å | ||
| 96 | S | 92.2 | Very high | 93 | Very high | 24 Ų | 24 | 24.8 Ų | 24.8 | 17% | 0.168 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -18.4 | -170 | -33.3 | 0 | 0 | 0 | 0 | 114.7 | G98 E156 R314 | S96-G98 PolarHBondContact O-N 3.2Å; S96-E156 WeakPolarHBondContact CB-OE1 3.3Å; S96-E156 PolarHBondContact OG-OE1 3.41Å; S96-R314 PolarHBondContact O-NH2 3.24Å |
| 97 | G | 92.2 | Very high | 93.2 | Very high | 8 Ų | 8 | 23.1 Ų | 23.1 | 8% | 0.082 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -28.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L95 L154 R314 | L95-G97 PolarHBondContact O-N 3.19Å; G97-L154 WeakPolarHBondContact CA-O 3.41Å; G97-L154 PolarHBondContact N-O 2.68Å; G97-R314 PolarHBondContact O-NH1 2.58Å |
| 98 | G | 91.5 | Very high | 93.3 | Very high | 6 Ų | 6 | 24.2 Ų | 24.2 | 6% | 0.062 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 92.1 | -170 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L95 S96 L153 L154 | L95-G98 PolarHBondContact O-N 3.27Å; S96-G98 PolarHBondContact O-N 3.2Å; G98-L153 CarbonylContact O-C 3.6Å; G98-L153 WeakPolarHBondContact O-CA 3.35Å; G98-L154 PolarHBondContact O-N 2.98Å |
| 99 | S | 93.4 | Very high | 93.3 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 8% | 0.077 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 157.9 | 177.4 | 69.5 | 0 | 0 | 0 | 0 | 112.1 | L101 D102 I103 G150 I152 | S99-L101 PolarHBondContact O-N 2.95Å; S99-L101 PolarHBondContact OG-N 3Å; S99-D102 WeakPolarHBondContact CB-OD2 3.44Å; S99-D102 PolarHBondContact N-OD2 3.17Å; S99-D102 WeakPolarHBondContact O-CB 3.3Å; S99-D102 PolarHBondContact O-N 2.8Å; S99-D102 VanDerWaalsContact O-N 3.09Å; S99-D102 VanDerWaalsContact OG-CG 3.22Å; S99-D102 PolarHBondContact OG-N 2.94Å; S99-D102 PolarHBondContact OG-OD2 3.28Å; S99-I103 PolarHBondContact O-N 2.87Å; S99-G150 VanDerWaalsContact CB-O 3.3Å; S99-G150 WeakPolarHBondContact CB-O 3.36Å; S99-I152 CarbonylContact C-O 3.53Å; S99-I152 VanDerWaalsContact CA-O 3.28Å; S99-I152 WeakPolarHBondContact CA-O 3.27Å |
| 100 | V | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.1 | -26.3 | 169.5 | 178 | 0 | 0 | 0 | 0 | 110.7 | I103 I104 L118 I126 A149 I152 L154 L220 | V100-I103 WeakPolarHBondContact O-CB 3.14Å; V100-I103 PolarHBondContact O-N 2.82Å; V100-I104 HydrophobicContact CG1-CD1 4.23Å; V100-I104 VanDerWaalsContact O-CG1 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.29Å; V100-I104 PolarHBondContact O-N 2.85Å; V100-L118 HydrophobicContact CG1-CD1 4.32Å; V100-I126 HydrophobicContact CG1-CD1 4.34Å; V100-I126 HydrophobicContact CG2-CD1 4.22Å; V100-I126 HydrophobicContact CG2-CG2 4.09Å; V100-A149 HydrophobicContact CB-CB 4.11Å; V100-A149 HydrophobicContact CG1-CB 4.13Å; V100-A149 PolarHBondContact N-O 3.14Å; V100-I152 HydrophobicContact CB-CB 4.35Å; V100-I152 HydrophobicContact CG2-CB 3.91Å; V100-I152 HydrophobicContact CG2-CG2 3.64Å; V100-I152 PolarHBondContact N-O 2.87Å; V100-L154 HydrophobicContact CG2-CD1 4.47Å; V100-L154 HydrophobicContact CG2-CD2 4.2Å; V100-L154 HydrophobicContact CG2-CG 4.33Å; V100-L220 HydrophobicContact CG1-CD1 3.96Å; V100-L220 HydrophobicContact CG1-CD2 4.16Å; V100-L220 HydrophobicContact CG1-CG 3.84Å |
| 101 | L | 92.9 | Very high | 93 | Very high | 43 Ų | 43 | 34.3 Ų | 34.3 | 23% | 0.225 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64 | -36.8 | 170.2 | -177 | 61.7 | 0 | 0 | 0 | 113 | S99 I103 I104 K105 A149 | S99-L101 PolarHBondContact O-N 2.95Å; S99-L101 PolarHBondContact OG-N 3Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 PolarHBondContact O-N 3.05Å; L101-I104 PolarHBondContact O-N 3.2Å; L101-K105 HydrophobicContact CD1-CG 4.32Å; L101-K105 HydrophobicContact CG-CD 4.48Å; L101-K105 WeakPolarHBondContact O-CB 2.99Å; L101-K105 WeakPolarHBondContact O-CG 3.48Å; L101-K105 PolarHBondContact O-N 2.8Å; L101-A149 HydrophobicContact CB-CB 4.39Å; L101-A149 PolarHBondContact N-O 2.97Å; L101-A149 VanDerWaalsContact N-O 3.14Å |
| 102 | D | 91.6 | Very high | 92.8 | Very high | 52 Ų | 52 | 39.5 Ų | 39.5 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -40.2 | 173.8 | -65.7 | -65.8 | 0 | 0 | 0 | 111.3 | S99 H106 R314 | S99-D102 WeakPolarHBondContact CB-OD2 3.44Å; S99-D102 PolarHBondContact N-OD2 3.17Å; S99-D102 WeakPolarHBondContact O-CB 3.3Å; S99-D102 PolarHBondContact O-N 2.8Å; S99-D102 VanDerWaalsContact O-N 3.09Å; S99-D102 VanDerWaalsContact OG-CG 3.22Å; S99-D102 PolarHBondContact OG-N 2.94Å; S99-D102 PolarHBondContact OG-OD2 3.28Å; D102-H106 VanDerWaalsContact O-CB 3.3Å; D102-H106 WeakPolarHBondContact O-CB 3.3Å; D102-H106 PolarHBondContact O-N 3.31Å; D102-R314 VanDerWaalsContact CG-CD 3.5Å; D102-R314 WeakPolarHBondContact OD1-CD 3.45Å |
| 103 | I | 93.7 | Very high | 92.7 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.041 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.6 | -53.1 | -52.8 | 0 | 0 | 0 | 110.6 | S99 V100 L101 H106 I107 L118 L154 I304 A308 | S99-I103 PolarHBondContact O-N 2.87Å; V100-I103 WeakPolarHBondContact O-CB 3.14Å; V100-I103 PolarHBondContact O-N 2.82Å; L101-I103 VanDerWaalsContact C-N 3.29Å; L101-I103 PolarHBondContact O-N 3.05Å; I103-H106 PolarHBondContact O-N 2.97Å; I103-I107 HydrophobicContact CG2-CD1 3.83Å; I103-I107 WeakPolarHBondContact O-CG1 3.45Å; I103-I107 PolarHBondContact O-N 2.84Å; I103-L118 HydrophobicContact CG2-CD2 4.34Å; I103-L154 HydrophobicContact CD1-CD1 4.45Å; I103-L154 HydrophobicContact CG1-CD1 4.02Å; I103-I304 HydrophobicContact CB-CG2 4.33Å; I103-I304 HydrophobicContact CD1-CG2 3.46Å; I103-I304 VanDerWaalsContact CD1-CG2 3.46Å; I103-I304 HydrophobicContact CG1-CG2 3.63Å; I103-I304 HydrophobicContact CG2-CG2 3.73Å; I103-A308 HydrophobicContact CD1-CB 3.46Å; I103-A308 VanDerWaalsContact CD1-CB 3.46Å |
| 104 | I | 94 | Very high | 92.4 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58.2 | -54.2 | 175.6 | -70.8 | 165.2 | 0 | 0 | 0 | 110.2 | V100 L101 H106 I107 V108 V117 A149 E219 G223 | V100-I104 HydrophobicContact CG1-CD1 4.23Å; V100-I104 VanDerWaalsContact O-CG1 3.3Å; V100-I104 WeakPolarHBondContact O-CG1 3.29Å; V100-I104 PolarHBondContact O-N 2.85Å; L101-I104 PolarHBondContact O-N 3.2Å; I104-H106 PolarHBondContact O-N 3.24Å; I104-I107 PolarHBondContact O-N 3.39Å; I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CB 3.46Å; I104-V108 VanDerWaalsContact O-CG2 3.29Å; I104-V108 WeakPolarHBondContact O-CG2 3.18Å; I104-V108 PolarHBondContact O-N 2.96Å; I104-V117 HydrophobicContact CB-CG1 4.46Å; I104-V117 HydrophobicContact CG1-CG1 4.12Å; I104-V117 HydrophobicContact CG2-CG1 4.47Å; I104-A149 HydrophobicContact CD1-CB 3.79Å; I104-E219 HydrophobicContact CD1-CG 4.2Å; I104-G223 WeakPolarHBondContact CG2-O 3.43Å |
| 105 | K | 90.6 | Very high | 92.2 | Very high | 73 Ų | 73 | 48 Ų | 48 | 32% | 0.317 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.4 | -35.5 | 179.4 | -74.1 | -170.3 | 171.7 | -171.4 | 0 | 111.9 | L101 A109 D333 E337 | L101-K105 HydrophobicContact CD1-CG 4.32Å; L101-K105 HydrophobicContact CG-CD 4.48Å; L101-K105 WeakPolarHBondContact O-CB 2.99Å; L101-K105 WeakPolarHBondContact O-CG 3.48Å; L101-K105 PolarHBondContact O-N 2.8Å; K105-A109 VanDerWaalsContact O-CB 3.24Å; K105-A109 WeakPolarHBondContact O-CB 3.24Å; K105-A109 PolarHBondContact O-N 2.88Å; K105-D333 WeakPolarHBondContact CE-OD2 3.42Å; K105-D333 IonicContact NZ-OD2 3.78Å; K105-D333 PolarHBondContact NZ-OD2 3.36Å; K105-E337 IonicContact NZ-OE1 2.68Å; K105-E337 PolarHBondContact NZ-OE1 2.74Å |
| 106 | H | 91.6 | Very high | 92.1 | Very high | 67 Ų | 67 | 47.5 Ų | 47.5 | 31% | 0.31 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.3 | -45.4 | 176 | -170 | 78.6 | 0 | 0 | 0 | 113.6 | D102 I103 I104 V108 A109 K110 R307 P309 | D102-H106 VanDerWaalsContact O-CB 3.3Å; D102-H106 WeakPolarHBondContact O-CB 3.3Å; D102-H106 PolarHBondContact O-N 3.31Å; I103-H106 PolarHBondContact O-N 2.97Å; I104-H106 PolarHBondContact O-N 3.24Å; H106-V108 VanDerWaalsContact C-N 3.33Å; H106-A109 PolarHBondContact O-N 3.28Å; H106-K110 PolarHBondContact O-N 3.44Å; H106-K110 VanDerWaalsContact O-N 3.1Å; H106-R307 PolarHBondContact CD2-O 2.93Å; H106-P309 HydrophobicContact CB-CG 4.38Å |
| 107 | I | 93 | Very high | 92.2 | Very high | 25 Ų | 25 | 46.9 Ų | 46.9 | 13% | 0.128 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66 | -37.6 | 176.3 | -67.1 | 169.2 | 0 | 0 | 0 | 110.8 | I103 I104 G111 E112 H113 V117 L118 | I103-I107 HydrophobicContact CG2-CD1 3.83Å; I103-I107 WeakPolarHBondContact O-CG1 3.45Å; I103-I107 PolarHBondContact O-N 2.84Å; I104-I107 PolarHBondContact O-N 3.39Å; I107-G111 PolarHBondContact O-N 3.34Å; I107-E112 HydrophobicContact CG2-CB 3.94Å; I107-E112 PolarHBondContact O-N 3.18Å; I107-H113 HydrophobicContact CG2-CB 4.35Å; I107-V117 HydrophobicContact CB-CG1 4.03Å; I107-V117 HydrophobicContact CD1-CG1 4.04Å; I107-V117 HydrophobicContact CG2-CG1 3.82Å; I107-L118 HydrophobicContact CD1-CD2 3.62Å |
| 108 | V | 91.8 | Very high | 92.5 | Very high | 59 Ų | 59 | 47 Ų | 47 | 36% | 0.358 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64 | -51.5 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | I104 H106 K110 G111 H113 V117 | I104-V108 HydrophobicContact CG2-CG2 4.26Å; I104-V108 WeakPolarHBondContact O-CB 3.46Å; I104-V108 VanDerWaalsContact O-CG2 3.29Å; I104-V108 WeakPolarHBondContact O-CG2 3.18Å; I104-V108 PolarHBondContact O-N 2.96Å; H106-V108 VanDerWaalsContact C-N 3.33Å; V108-K110 VanDerWaalsContact C-N 3.26Å; V108-K110 PolarHBondContact O-N 3.22Å; V108-G111 PolarHBondContact O-N 3.09Å; V108-H113 WeakPolarHBondContact CA-ND1 3.34Å; V108-H113 HydrophobicContact CG2-CB 4.21Å; V108-H113 PolarHBondContact O-ND1 3.36Å; V108-V117 HydrophobicContact CG2-CG2 4.39Å |
| 109 | A | 90.7 | Very high | 92.7 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 71% | 0.711 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -62.4 | -27.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K105 H106 G111 | K105-A109 VanDerWaalsContact O-CB 3.24Å; K105-A109 WeakPolarHBondContact O-CB 3.24Å; K105-A109 PolarHBondContact O-N 2.88Å; H106-A109 PolarHBondContact O-N 3.28Å; A109-G111 VanDerWaalsContact C-N 3.31Å |
| 110 | K | 91.1 | Very high | 92.9 | Very high | 106 Ų | 106 | 49.3 Ų | 49.3 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -8.3 | 171.9 | -77.6 | 175.2 | 162 | 175 | 0 | 114.2 | H106 V108 E112 | H106-K110 PolarHBondContact O-N 3.44Å; H106-K110 VanDerWaalsContact O-N 3.1Å; V108-K110 VanDerWaalsContact C-N 3.26Å; V108-K110 PolarHBondContact O-N 3.22Å; K110-E112 HydrophobicContact CB-CG 3.99Å; K110-E112 PolarHBondContact O-N 3.34Å |
| 111 | G | 91.6 | Very high | 93 | Very high | 29 Ų | 29 | 50.6 Ų | 50.6 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 11 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | I107 V108 A109 H113 | I107-G111 PolarHBondContact O-N 3.34Å; V108-G111 PolarHBondContact O-N 3.09Å; A109-G111 VanDerWaalsContact C-N 3.31Å; G111-H113 VanDerWaalsContact C-N 3.26Å; G111-H113 PolarHBondContact O-N 2.93Å |
| 112 | E | 91.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 48.6 Ų | 48.6 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -75.4 | -16.3 | -177.8 | -72.3 | 176.7 | -161.6 | 0 | 0 | 112.5 | I107 K110 K114 | I107-E112 HydrophobicContact CG2-CB 3.94Å; I107-E112 PolarHBondContact O-N 3.18Å; K110-E112 HydrophobicContact CB-CG 3.99Å; K110-E112 PolarHBondContact O-N 3.34Å; E112-K114 PolarHBondContact O-N 3.28Å; E112-K114 VanDerWaalsContact O-N 3.13Å |
| 113 | H | 91.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -67.1 | -6.3 | -177.1 | 66.4 | -91.5 | 0 | 0 | 0 | 116.1 | I107 V108 G111 S115 G116 V117 M256 | I107-H113 HydrophobicContact CG2-CB 4.35Å; V108-H113 WeakPolarHBondContact CA-ND1 3.34Å; V108-H113 HydrophobicContact CG2-CB 4.21Å; V108-H113 PolarHBondContact O-ND1 3.36Å; G111-H113 VanDerWaalsContact C-N 3.26Å; G111-H113 PolarHBondContact O-N 2.93Å; H113-S115 PolarHBondContact O-N 2.97Å; H113-G116 CarbonylContact O-C 3.42Å; H113-G116 WeakPolarHBondContact O-CA 3.3Å; H113-G116 PolarHBondContact O-N 3.41Å; H113-V117 HydrophobicContact CB-CG2 3.93Å; H113-M256 WeakPolarHBondContact O-CE 3.47Å |
| 114 | K | 89.6 | Confident | 93.8 | Very high | 162 Ų | 162 | 45.8 Ų | 45.8 | 70% | 0.704 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -58.5 | -21.2 | -172 | -67.5 | 178.8 | -175.5 | -177.1 | 0 | 115.1 | E112 M256 | E112-K114 PolarHBondContact O-N 3.28Å; E112-K114 VanDerWaalsContact O-N 3.13Å; K114-M256 WeakPolarHBondContact O-CA 3.5Å |
| 115 | S | 90.7 | Very high | 94 | Very high | 69 Ų | 69 | 45.7 Ų | 45.7 | 48% | 0.483 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -107.7 | 25.9 | 174.9 | 65.8 | 0 | 0 | 0 | 0 | 112.6 | H113 M256 K259 | H113-S115 PolarHBondContact O-N 2.97Å; S115-M256 CarbonylContact C-O 3.58Å; S115-K259 WeakPolarHBondContact O-CD 3.33Å; S115-K259 WeakPolarHBondContact O-CE 3.44Å; S115-K259 WeakPolarHBondContact O-CG 3.1Å; S115-K259 PolarHBondContact O-NZ 2.69Å |
| 116 | G | 92.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | 86.3 | 152.6 | -166.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H113 A221 M256 K259 Y260 | H113-G116 CarbonylContact O-C 3.42Å; H113-G116 WeakPolarHBondContact O-CA 3.3Å; H113-G116 PolarHBondContact O-N 3.41Å; G116-A221 CarbonylContact C-O 3.56Å; G116-A221 WeakPolarHBondContact CA-O 3.48Å; G116-M256 VanDerWaalsContact N-CG 3.33Å; G116-M256 PolarHBondContact N-O 3.12Å; G116-M256 VanDerWaalsContact N-O 3.13Å; G116-K259 VanDerWaalsContact C-NZ 3.33Å; G116-K259 PolarHBondContact O-NZ 2.96Å; G116-Y260 WeakPolarHBondContact CA-OH 3.39Å | ||
| 117 | V | 95.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 39 Ų | 39 | 7% | 0.073 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -71.1 | -74.4 | -171.2 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | I104 I107 V108 H113 A221 Y260 | I104-V117 HydrophobicContact CB-CG1 4.46Å; I104-V117 HydrophobicContact CG1-CG1 4.12Å; I104-V117 HydrophobicContact CG2-CG1 4.47Å; I107-V117 HydrophobicContact CB-CG1 4.03Å; I107-V117 HydrophobicContact CD1-CG1 4.04Å; I107-V117 HydrophobicContact CG2-CG1 3.82Å; V108-V117 HydrophobicContact CG2-CG2 4.39Å; H113-V117 HydrophobicContact CB-CG2 3.93Å; V117-A221 PolarHBondContact N-O 3.49Å; V117-Y260 PolarHBondContact N-OH 2.82Å |
| 118 | L | 96.7 | Very high | 95 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -95.2 | 154.1 | 177.3 | -58.4 | 178.5 | 0 | 0 | 0 | 111.7 | V100 I103 I107 T122 I123 I126 L220 K259 Y260 | V100-L118 HydrophobicContact CG1-CD1 4.32Å; I103-L118 HydrophobicContact CG2-CD2 4.34Å; I107-L118 HydrophobicContact CD1-CD2 3.62Å; L118-T122 HydrophobicContact CB-CG2 4.4Å; L118-T122 HydrophobicContact CD1-CG2 4.33Å; L118-T122 HydrophobicContact CD2-CG2 4.22Å; L118-I123 HydrophobicContact CB-CD1 4Å; L118-I123 HydrophobicContact CB-CG1 3.54Å; L118-I123 HydrophobicContact CD1-CG1 4.4Å; L118-I126 HydrophobicContact CD1-CD1 3.99Å; L118-L220 WeakPolarHBondContact CB-O 3.29Å; L118-L220 HydrophobicContact CD1-CB 4.26Å; L118-L220 HydrophobicContact CD1-CD2 4.06Å; L118-L220 HydrophobicContact CD1-CG 3.98Å; L118-L220 PolarHBondContact N-O 2.89Å; L118-K259 VanDerWaalsContact O-CE 3.23Å; L118-K259 WeakPolarHBondContact O-CE 3.45Å; L118-Y260 WeakPolarHBondContact O-CE1 3.44Å; L118-Y260 PolarHBondContact O-OH 2.79Å |
| 119 | D | 96.2 | Very high | 95.3 | Very high | 46 Ų | 46 | 40 Ų | 40 | 25% | 0.246 | 22% | 0.216 | C | C | . | . | trans | -82 | 159 | 172.4 | 75.3 | 83.4 | 0 | 0 | 0 | 112.3 | S121 T122 I123 | D119-S121 PolarHBondContact O-N 3.31Å; D119-S121 VanDerWaalsContact O-N 3.15Å; D119-S121 WeakPolarHBondContact OD1-CA 3.3Å; D119-S121 WeakPolarHBondContact OD1-CB 3.34Å; D119-S121 PolarHBondContact OD1-N 3.46Å; D119-S121 PolarHBondContact OD1-OG 3.41Å; D119-T122 PolarHBondContact O-N 2.92Å; D119-T122 PolarHBondContact OD1-N 3.1Å; D119-T122 WeakPolarHBondContact OD2-CB 3.42Å; D119-T122 PolarHBondContact OD2-OG1 3.07Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3.01Å | ||
| 120 | E | 98.2 | Very high | 95.7 | Very high | 20 Ų | 20 | 36 Ų | 36 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.1 | -29 | -176.8 | -73.5 | -166.2 | 140 | 0 | 0 | 114.9 | A124 Y260 G261 F264 F290 K293 | E120-A124 WeakPolarHBondContact O-CB 3.3Å; E120-A124 PolarHBondContact O-N 3.02Å; E120-Y260 HydrophobicContact CG-CD1 3.9Å; E120-G261 PolarHBondContact OE1-N 3.42Å; E120-F264 VanDerWaalsContact OE1-CB 3.29Å; E120-F264 WeakPolarHBondContact OE1-CB 3.44Å; E120-F290 HydrophobicContact CB-CE2 3.98Å; E120-F290 HydrophobicContact CG-CE2 4.12Å; E120-F290 WeakPolarHBondContact O-CZ 3.34Å; E120-K293 HydrophobicContact CB-CD 4.07Å; E120-K293 WeakPolarHBondContact OE2-CE 3.26Å; E120-K293 IonicContact OE2-NZ 2.63Å; E120-K293 PolarHBondContact OE2-NZ 3.48Å |
| 121 | S | 97.9 | Very high | 96.1 | Very high | 28 Ų | 28 | 31 Ų | 31 | 20% | 0.196 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -78.6 | -38.3 | 178.7 | 68 | 0 | 0 | 0 | 0 | 111.7 | D119 A124 T125 K293 | D119-S121 PolarHBondContact O-N 3.31Å; D119-S121 VanDerWaalsContact O-N 3.15Å; D119-S121 WeakPolarHBondContact OD1-CA 3.3Å; D119-S121 WeakPolarHBondContact OD1-CB 3.34Å; D119-S121 PolarHBondContact OD1-N 3.46Å; D119-S121 PolarHBondContact OD1-OG 3.41Å; S121-A124 PolarHBondContact O-N 3.33Å; S121-T125 WeakPolarHBondContact O-CB 3.29Å; S121-T125 PolarHBondContact O-N 3.48Å; S121-T125 PolarHBondContact O-OG1 2.78Å; S121-K293 WeakPolarHBondContact CB-O 3.39Å |
| 122 | T | 97.7 | Very high | 96.4 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.3 | -48.1 | 170.4 | -59.2 | 0 | 0 | 0 | 0 | 111 | L118 D119 T125 I126 L300 I304 | L118-T122 HydrophobicContact CB-CG2 4.4Å; L118-T122 HydrophobicContact CD1-CG2 4.33Å; L118-T122 HydrophobicContact CD2-CG2 4.22Å; D119-T122 PolarHBondContact O-N 2.92Å; D119-T122 PolarHBondContact OD1-N 3.1Å; D119-T122 WeakPolarHBondContact OD2-CB 3.42Å; D119-T122 PolarHBondContact OD2-OG1 3.07Å; T122-T125 PolarHBondContact O-N 3.44Å; T122-I126 HydrophobicContact CG2-CD1 4.17Å; T122-I126 WeakPolarHBondContact O-CG1 3.24Å; T122-I126 PolarHBondContact O-N 3.23Å; T122-I126 VanDerWaalsContact O-N 3.07Å; T122-L300 HydrophobicContact CG2-CD2 4.22Å; T122-I304 HydrophobicContact CG2-CD1 3.71Å; T122-I304 HydrophobicContact CG2-CG1 4.1Å |
| 123 | I | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | 176.1 | -62.4 | 176.9 | 0 | 0 | 0 | 111.3 | L118 D119 T125 I126 L127 L220 A221 Y260 F264 F290 | L118-I123 HydrophobicContact CB-CD1 4Å; L118-I123 HydrophobicContact CB-CG1 3.54Å; L118-I123 HydrophobicContact CD1-CG1 4.4Å; D119-I123 WeakPolarHBondContact O-CG1 3.36Å; D119-I123 PolarHBondContact O-N 3.01Å; I123-T125 PolarHBondContact O-N 3.34Å; I123-I126 PolarHBondContact O-N 3.1Å; I123-L127 HydrophobicContact CG2-CD1 3.52Å; I123-L127 HydrophobicContact CG2-CG 4.01Å; I123-L127 VanDerWaalsContact O-CB 3.3Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.13Å; I123-L127 PolarHBondContact O-N 3.34Å; I123-L220 HydrophobicContact CD1-CB 4.27Å; I123-L220 HydrophobicContact CG1-CB 4.14Å; I123-L220 HydrophobicContact CG1-CD2 4.45Å; I123-L220 HydrophobicContact CG2-CB 4.45Å; I123-L220 HydrophobicContact CG2-CD2 4.3Å; I123-A221 HydrophobicContact CD1-CB 3.94Å; I123-Y260 HydrophobicContact CD1-CE1 3.89Å; I123-F264 HydrophobicContact CD1-CE1 4.47Å; I123-F264 HydrophobicContact CD1-CZ 4.06Å; I123-F264 HydrophobicContact CG2-CE2 3.69Å; I123-F264 HydrophobicContact CG2-CZ 3.91Å; I123-F290 HydrophobicContact CB-CZ 4.22Å; I123-F290 HydrophobicContact CG2-CE1 4.21Å; I123-F290 HydrophobicContact CG2-CZ 3.93Å |
| 124 | A | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.1 | -32.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E120 S121 R128 F290 K293 A294 | E120-A124 WeakPolarHBondContact O-CB 3.3Å; E120-A124 PolarHBondContact O-N 3.02Å; S121-A124 PolarHBondContact O-N 3.33Å; A124-R128 WeakPolarHBondContact O-CB 3.48Å; A124-R128 PolarHBondContact O-N 3.06Å; A124-R128 VanDerWaalsContact O-N 3.13Å; A124-F290 HydrophobicContact CB-CD1 4.18Å; A124-F290 HydrophobicContact CB-CE1 3.67Å; A124-F290 HydrophobicContact CB-CE2 4.37Å; A124-F290 HydrophobicContact CB-CZ 3.77Å; A124-K293 HydrophobicContact CB-CB 3.86Å; A124-A294 HydrophobicContact CB-CB 4.2Å; A124-A294 WeakPolarHBondContact O-CB 3.46Å |
| 125 | T | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.1 | -52.1 | 177.4 | -49.4 | 0 | 0 | 0 | 0 | 110.8 | S121 T122 I123 L127 R128 A294 K295 L300 | S121-T125 WeakPolarHBondContact O-CB 3.29Å; S121-T125 PolarHBondContact O-N 3.48Å; S121-T125 PolarHBondContact O-OG1 2.78Å; T122-T125 PolarHBondContact O-N 3.44Å; I123-T125 PolarHBondContact O-N 3.34Å; T125-L127 PolarHBondContact O-N 2.63Å; T125-R128 PolarHBondContact O-N 3.4Å; T125-A294 WeakPolarHBondContact OG1-CA 3.3Å; T125-K295 HydrophobicContact CG2-CB 4.35Å; T125-K295 PolarHBondContact OG1-N 3.28Å; T125-L300 HydrophobicContact CG2-CD1 3.86Å; T125-L300 HydrophobicContact CG2-CD2 4.07Å; T125-L300 HydrophobicContact CG2-CG 3.84Å |
| 126 | I | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.1 | -49.8 | 177.8 | -63.5 | 168.1 | 0 | 0 | 0 | 110.8 | V100 L118 T122 I123 R128 E129 V130 I152 V160 L220 L300 I304 | V100-I126 HydrophobicContact CG1-CD1 4.34Å; V100-I126 HydrophobicContact CG2-CD1 4.22Å; V100-I126 HydrophobicContact CG2-CG2 4.09Å; L118-I126 HydrophobicContact CD1-CD1 3.99Å; T122-I126 HydrophobicContact CG2-CD1 4.17Å; T122-I126 WeakPolarHBondContact O-CG1 3.24Å; T122-I126 PolarHBondContact O-N 3.23Å; T122-I126 VanDerWaalsContact O-N 3.07Å; I123-I126 PolarHBondContact O-N 3.1Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.06Å; I126-E129 PolarHBondContact O-N 3.43Å; I126-V130 WeakPolarHBondContact O-CG2 3.43Å; I126-V130 PolarHBondContact O-N 3.37Å; I126-I152 HydrophobicContact CG2-CG2 3.9Å; I126-V160 HydrophobicContact CG2-CG1 4.12Å; I126-L220 HydrophobicContact CB-CD2 4.28Å; I126-L220 HydrophobicContact CD1-CD2 4.16Å; I126-L220 HydrophobicContact CG2-CD2 4.07Å; I126-L300 HydrophobicContact CG1-CD1 4.24Å; I126-L300 HydrophobicContact CG1-CD2 4.05Å; I126-I304 HydrophobicContact CD1-CD1 3.91Å |
| 127 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -73.4 | -18.4 | -174.1 | -65.9 | -174 | 0 | 0 | 0 | 113.9 | I123 T125 L131 F213 T216 A217 L220 M267 F291 | I123-L127 HydrophobicContact CG2-CD1 3.52Å; I123-L127 HydrophobicContact CG2-CG 4.01Å; I123-L127 VanDerWaalsContact O-CB 3.3Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 WeakPolarHBondContact O-CG 3.13Å; I123-L127 PolarHBondContact O-N 3.34Å; T125-L127 PolarHBondContact O-N 2.63Å; L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 2.88Å; L127-L131 VanDerWaalsContact O-N 3.13Å; L127-F213 HydrophobicContact CB-CE2 3.83Å; L127-F213 HydrophobicContact CB-CZ 3.85Å; L127-F213 HydrophobicContact CD1-CE2 4.38Å; L127-F213 HydrophobicContact CD1-CZ 4.17Å; L127-F213 HydrophobicContact CD2-CD2 4.35Å; L127-F213 HydrophobicContact CD2-CE2 3.79Å; L127-F213 HydrophobicContact CD2-CZ 4.4Å; L127-F213 HydrophobicContact CG-CE2 4.2Å; L127-F213 HydrophobicContact CG-CZ 4.37Å; L127-T216 HydrophobicContact CD2-CG2 4.48Å; L127-A217 HydrophobicContact CD1-CB 3.69Å; L127-L220 HydrophobicContact CD2-CD2 4.1Å; L127-L220 HydrophobicContact CG-CD2 4.2Å; L127-M267 HydrophobicContact CD1-CE 4.22Å; L127-F291 HydrophobicContact CB-CE1 3.89Å |
| 128 | R | 98.7 | Very high | 97.7 | Very high | 66 Ų | 66 | 18.3 Ų | 18.3 | 25% | 0.249 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.8 | -54.8 | 167.9 | -178 | -171.8 | 64.6 | -141.4 | -7.8 | 109.7 | A124 T125 I126 V130 L131 E132 L286 F291 A294 K295 | A124-R128 WeakPolarHBondContact O-CB 3.48Å; A124-R128 PolarHBondContact O-N 3.06Å; A124-R128 VanDerWaalsContact O-N 3.13Å; T125-R128 PolarHBondContact O-N 3.4Å; I126-R128 VanDerWaalsContact C-N 3.31Å; I126-R128 PolarHBondContact O-N 3.06Å; R128-V130 PolarHBondContact O-N 2.91Å; R128-L131 WeakPolarHBondContact O-CA 3.42Å; R128-L131 WeakPolarHBondContact O-CB 3.29Å; R128-L131 PolarHBondContact O-N 3.25Å; R128-E132 WeakPolarHBondContact O-CG 3.49Å; R128-E132 PolarHBondContact O-N 3.42Å; R128-L286 HydrophobicContact CG-CD2 3.69Å; R128-F291 HydrophobicContact CB-CD1 4.14Å; R128-A294 HydrophobicContact CB-CB 4.5Å; R128-K295 PolarHBondContact NH1-O 2.99Å; R128-K295 PolarHBondContact NH2-O 3.09Å |
| 129 | E | 98.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 25.1 Ų | 25.1 | 18% | 0.182 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.7 | -37.8 | -179.2 | -56.5 | -52.3 | 118.1 | 0 | 0 | 112.3 | N74 I126 E132 G133 V160 | N74-E129 VanDerWaalsContact CB-O 3.22Å; N74-E129 WeakPolarHBondContact CB-O 3.49Å; N74-E129 WeakPolarHBondContact ND2-CB 3.3Å; N74-E129 PolarHBondContact ND2-OE2 2.96Å; I126-E129 PolarHBondContact O-N 3.43Å; E129-E132 PolarHBondContact O-N 2.98Å; E129-G133 PolarHBondContact O-N 3.17Å; E129-V160 HydrophobicContact CB-CB 3.65Å; E129-V160 HydrophobicContact CB-CG1 4.01Å; E129-V160 HydrophobicContact CB-CG2 4.3Å; E129-V160 HydrophobicContact CG-CB 3.89Å; E129-V160 HydrophobicContact CG-CG2 4.04Å |
| 130 | V | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.006 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.3 | -39.5 | 173 | 175.7 | 0 | 0 | 0 | 0 | 111.7 | I126 R128 G133 L134 V147 I152 V160 I162 F213 | I126-V130 WeakPolarHBondContact O-CG2 3.43Å; I126-V130 PolarHBondContact O-N 3.37Å; R128-V130 PolarHBondContact O-N 2.91Å; V130-G133 PolarHBondContact O-N 3.23Å; V130-L134 HydrophobicContact CG1-CD1 4.11Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CB 3.43Å; V130-L134 WeakPolarHBondContact O-CG 3.22Å; V130-L134 PolarHBondContact O-N 3.13Å; V130-V147 HydrophobicContact CG1-CG1 4.48Å; V130-I152 HydrophobicContact CG2-CD1 3.71Å; V130-I152 HydrophobicContact CG2-CG1 3.85Å; V130-I152 HydrophobicContact CG2-CG2 3.93Å; V130-V160 HydrophobicContact CG2-CG1 4.43Å; V130-I162 HydrophobicContact CG1-CD1 3.98Å; V130-I162 HydrophobicContact CG1-CG1 4.34Å; V130-F213 HydrophobicContact CB-CE2 4.35Å; V130-F213 HydrophobicContact CG1-CD2 3.88Å; V130-F213 HydrophobicContact CG1-CE2 4.1Å |
| 131 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -69.9 | -36.3 | 175.9 | -73.2 | 171.8 | 0 | 0 | 0 | 113.1 | L127 R128 G133 L134 E135 F213 A282 L285 L286 F291 | L127-L131 WeakPolarHBondContact O-CG 3.34Å; L127-L131 PolarHBondContact O-N 2.88Å; L127-L131 VanDerWaalsContact O-N 3.13Å; R128-L131 WeakPolarHBondContact O-CA 3.42Å; R128-L131 WeakPolarHBondContact O-CB 3.29Å; R128-L131 PolarHBondContact O-N 3.25Å; L131-G133 VanDerWaalsContact C-N 3.31Å; L131-L134 PolarHBondContact O-N 3.19Å; L131-E135 WeakPolarHBondContact O-CB 3.44Å; L131-E135 PolarHBondContact O-N 3.28Å; L131-F213 HydrophobicContact CD1-CE1 4.16Å; L131-F213 HydrophobicContact CD1-CE2 4.25Å; L131-F213 HydrophobicContact CD1-CZ 3.6Å; L131-F213 HydrophobicContact CD2-CD1 4.2Å; L131-F213 HydrophobicContact CD2-CD2 4.11Å; L131-F213 HydrophobicContact CD2-CE1 3.87Å; L131-F213 HydrophobicContact CD2-CE2 3.76Å; L131-F213 HydrophobicContact CD2-CG 4.32Å; L131-F213 HydrophobicContact CD2-CZ 3.64Å; L131-F213 HydrophobicContact CG-CD2 4.39Å; L131-F213 HydrophobicContact CG-CE1 4.15Å; L131-F213 HydrophobicContact CG-CE2 3.59Å; L131-F213 HydrophobicContact CG-CZ 3.45Å; L131-F213 VanDerWaalsContact CG-CZ 3.45Å; L131-A282 HydrophobicContact CD2-CB 3.98Å; L131-L285 HydrophobicContact CD1-CB 3.58Å; L131-L285 HydrophobicContact CD2-CB 3.99Å; L131-L285 HydrophobicContact CD2-CD1 3.81Å; L131-L285 HydrophobicContact CG-CB 4.45Å; L131-L286 HydrophobicContact CB-CD1 4.26Å; L131-L286 HydrophobicContact CB-CD2 3.62Å; L131-L286 HydrophobicContact CB-CG 3.72Å; L131-L286 HydrophobicContact CD1-CD2 4.16Å; L131-L286 HydrophobicContact CD1-CG 4.21Å; L131-F291 HydrophobicContact CD1-CD2 4.47Å; L131-F291 HydrophobicContact CD1-CE1 3.85Å; L131-F291 HydrophobicContact CD1-CE2 3.73Å; L131-F291 HydrophobicContact CD1-CZ 3.38Å |
| 132 | E | 98.6 | Very high | 96.3 | Very high | 72 Ų | 72 | 30.3 Ų | 30.3 | 34% | 0.336 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 172.3 | -57.8 | -70.9 | 168.8 | 0 | 0 | 110.2 | H72 R128 E129 Y136 L286 | H72-E132 PolarHBondContact CE1-O 2.9Å; R128-E132 WeakPolarHBondContact O-CG 3.49Å; R128-E132 PolarHBondContact O-N 3.42Å; E129-E132 PolarHBondContact O-N 2.98Å; E132-Y136 PolarHBondContact O-N 3.07Å; E132-Y136 VanDerWaalsContact O-N 3.07Å; E132-L286 HydrophobicContact CG-CD1 4.42Å; E132-L286 HydrophobicContact CG-CD2 4.26Å; E132-L286 WeakPolarHBondContact OE1-CD2 3.45Å |
| 133 | G | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | E129 V130 L131 Y136 L137 | E129-G133 PolarHBondContact O-N 3.17Å; V130-G133 PolarHBondContact O-N 3.23Å; L131-G133 VanDerWaalsContact C-N 3.31Å; G133-Y136 PolarHBondContact O-N 3.06Å; G133-L137 PolarHBondContact O-N 2.88Å; G133-L137 VanDerWaalsContact O-N 3.12Å |
| 134 | L | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.7 | -41.5 | 176 | -71.3 | 176.5 | 0 | 0 | 0 | 111.9 | V130 L131 Y136 L137 H138 H144 V147 I162 D209 F213 A282 | V130-L134 HydrophobicContact CG1-CD1 4.11Å; V130-L134 HydrophobicContact CG1-CG 4.4Å; V130-L134 WeakPolarHBondContact O-CB 3.43Å; V130-L134 WeakPolarHBondContact O-CG 3.22Å; V130-L134 PolarHBondContact O-N 3.13Å; L131-L134 PolarHBondContact O-N 3.19Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 2.94Å; L134-L137 PolarHBondContact O-N 3.45Å; L134-L137 VanDerWaalsContact O-N 3.17Å; L134-H138 WeakPolarHBondContact O-CB 3.44Å; L134-H138 PolarHBondContact O-CD2 3.21Å; L134-H138 PolarHBondContact O-N 2.86Å; L134-H144 HydrophobicContact CD2-CB 3.87Å; L134-V147 HydrophobicContact CD1-CG2 4.47Å; L134-V147 HydrophobicContact CD2-CG2 3.98Å; L134-I162 HydrophobicContact CD2-CD1 4.03Å; L134-I162 HydrophobicContact CG-CD1 3.91Å; L134-D209 HydrophobicContact CD2-CB 4.13Å; L134-F213 HydrophobicContact CD1-CB 4.32Å; L134-F213 HydrophobicContact CD1-CD2 4.26Å; L134-A282 HydrophobicContact CB-CB 4.34Å |
| 135 | E | 98.2 | Very high | 94.9 | Very high | 32 Ų | 32 | 34.5 Ų | 34.5 | 15% | 0.15 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.1 | -40.2 | 176 | -173.6 | 174.6 | 161.2 | 0 | 0 | 111.4 | L131 K139 A282 A283 L286 | L131-E135 WeakPolarHBondContact O-CB 3.44Å; L131-E135 PolarHBondContact O-N 3.28Å; E135-K139 HydrophobicContact CG-CD 4Å; E135-K139 HydrophobicContact CG-CG 4.41Å; E135-K139 VanDerWaalsContact O-CB 3.29Å; E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.28Å; E135-K139 WeakPolarHBondContact O-CG 3.36Å; E135-K139 PolarHBondContact O-N 3.27Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å; E135-K139 IonicContact OE1-NZ 2.59Å; E135-K139 PolarHBondContact OE1-NZ 2.99Å; E135-A282 HydrophobicContact CB-CB 3.81Å; E135-A283 VanDerWaalsContact CD-CB 3.46Å; E135-A283 HydrophobicContact CG-CB 4.27Å; E135-A283 WeakPolarHBondContact OE1-CB 3.34Å; E135-A283 WeakPolarHBondContact OE2-CA 3.46Å; E135-A283 WeakPolarHBondContact OE2-CB 3.37Å; E135-A283 PolarHBondContact OE2-N 2.7Å; E135-L286 VanDerWaalsContact OE2-CD1 3.31Å; E135-L286 WeakPolarHBondContact OE2-CD1 3.29Å |
| 136 | Y | 97.2 | Very high | 94.4 | Very high | 45 Ų | 45 | 35 Ų | 35 | 18% | 0.176 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -50 | 172.5 | 173 | -92.7 | 0 | 0 | 0 | 112.2 | C70 H71 H72 I75 E132 G133 L134 N140 | C70-Y136 HydrophobicContact CB-CE1 4.15Å; H71-Y136 PolarHBondContact N-OH 2.86Å; H71-Y136 PolarHBondContact O-OH 3.26Å; H72-Y136 HydrophobicContact CB-CD1 3.63Å; H72-Y136 HydrophobicContact CB-CD2 3.99Å; H72-Y136 HydrophobicContact CB-CE1 3.93Å; H72-Y136 HydrophobicContact CB-CE2 4.26Å; H72-Y136 HydrophobicContact CB-CG 3.67Å; H72-Y136 AromaticContact CD2-CD2 3.51Å; H72-Y136 AromaticContact CD2-CG 3.59Å; H72-Y136 AromaticContact CG-CD2 3.93Å; H72-Y136 AromaticContact CG-CG 3.61Å; I75-Y136 HydrophobicContact CG1-CD1 4.38Å; E132-Y136 PolarHBondContact O-N 3.07Å; E132-Y136 VanDerWaalsContact O-N 3.07Å; G133-Y136 PolarHBondContact O-N 3.06Å; L134-Y136 VanDerWaalsContact C-N 3.28Å; L134-Y136 PolarHBondContact O-N 2.94Å; Y136-N140 WeakPolarHBondContact CE2-ND2 3.35Å; Y136-N140 PolarHBondContact O-N 3.3Å; Y136-N140 PolarHBondContact O-ND2 2.9Å |
| 137 | L | 93.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 178.7 | -71 | 176.5 | 0 | 0 | 0 | 111.4 | I75 G133 L134 K139 N140 G141 Q142 H144 F165 | I75-L137 HydrophobicContact CD1-CD1 3.77Å; I75-L137 HydrophobicContact CD1-CD2 4.46Å; I75-L137 HydrophobicContact CD1-CG 3.98Å; I75-L137 HydrophobicContact CG1-CG 4.46Å; G133-L137 PolarHBondContact O-N 2.88Å; G133-L137 VanDerWaalsContact O-N 3.12Å; L134-L137 PolarHBondContact O-N 3.45Å; L134-L137 VanDerWaalsContact O-N 3.17Å; L137-K139 PolarHBondContact O-N 3.47Å; L137-N140 CarbonylContact O-C 3.57Å; L137-N140 WeakPolarHBondContact O-CA 3.47Å; L137-N140 PolarHBondContact O-N 3.37Å; L137-G141 PolarHBondContact O-N 2.85Å; L137-Q142 CarbonylContact C-O 3.57Å; L137-Q142 HydrophobicContact CB-CB 4.08Å; L137-Q142 HydrophobicContact CD2-CB 4.06Å; L137-Q142 WeakPolarHBondContact O-CB 3.45Å; L137-Q142 PolarHBondContact O-N 2.83Å; L137-H144 HydrophobicContact CD1-CB 4.15Å; L137-F165 HydrophobicContact CD1-CD2 4.16Å; L137-F165 HydrophobicContact CD2-CD1 4.27Å; L137-F165 HydrophobicContact CD2-CD2 4.28Å; L137-F165 HydrophobicContact CD2-CE1 4.14Å; L137-F165 HydrophobicContact CD2-CE2 4.16Å; L137-F165 HydrophobicContact CD2-CG 4.36Å; L137-F165 HydrophobicContact CD2-CZ 4.1Å |
| 138 | H | 93.9 | Very high | 94 | Very high | 24 Ų | 24 | 36.7 Ų | 36.7 | 11% | 0.111 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.3 | -39.1 | -176.2 | -61.1 | 178 | 0 | 0 | 0 | 111.8 | L134 N140 G141 Q142 F206 D209 | L134-H138 WeakPolarHBondContact O-CB 3.44Å; L134-H138 PolarHBondContact O-CD2 3.21Å; L134-H138 PolarHBondContact O-N 2.86Å; H138-N140 VanDerWaalsContact C-N 3.26Å; H138-N140 PolarHBondContact O-N 3.32Å; H138-G141 PolarHBondContact O-N 3.3Å; H138-G141 VanDerWaalsContact O-N 3.14Å; H138-Q142 PolarHBondContact CD2-O 2.91Å; H138-F206 HydrophobicContact CB-CB 4.24Å; H138-F206 HydrophobicContact CB-CD2 4.03Å; H138-F206 HydrophobicContact CB-CG 4.16Å; H138-F206 AromaticContact CE1-CD2 3.98Å; H138-F206 PolarHBondContact CE1-O 3.44Å; H138-F206 AromaticContact CG-CD2 3.75Å; H138-F206 AromaticContact CG-CG 3.97Å; H138-F206 AromaticContact ND1-CD2 3.44Å; H138-F206 WeakPolarHBondContact ND1-CD2 3.39Å; H138-D209 IonicContact CD2-OD2 3.51Å; H138-D209 IonicContact CE1-OD2 2.71Å; H138-D209 IonicContact NE2-OD2 3.86Å; H138-D209 PolarHBondContact NE2-OD2 3.08Å |
| 139 | K | 94.1 | Very high | 93.8 | Very high | 152 Ų | 152 | 33.5 Ų | 33.5 | 66% | 0.661 | 17% | 0.171 | S | C | * | . | H | α-helix | trans | -63 | -29.4 | 172.7 | -81 | 172.7 | 169.1 | 167.8 | 0 | 113.7 | E135 L137 G141 | E135-K139 HydrophobicContact CG-CD 4Å; E135-K139 HydrophobicContact CG-CG 4.41Å; E135-K139 VanDerWaalsContact O-CB 3.29Å; E135-K139 WeakPolarHBondContact O-CB 3.47Å; E135-K139 VanDerWaalsContact O-CG 3.28Å; E135-K139 WeakPolarHBondContact O-CG 3.36Å; E135-K139 PolarHBondContact O-N 3.27Å; E135-K139 WeakPolarHBondContact OE1-CE 3.38Å; E135-K139 IonicContact OE1-NZ 2.59Å; E135-K139 PolarHBondContact OE1-NZ 2.99Å; L137-K139 PolarHBondContact O-N 3.47Å; K139-G141 VanDerWaalsContact C-N 3.31Å |
| 140 | N | 89.6 | Confident | 93.5 | Very high | 86 Ų | 86 | 32.6 Ų | 32.6 | 46% | 0.46 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 13.7 | 176.6 | -70 | -76.3 | 0 | 0 | 0 | 112.9 | Y136 L137 H138 Q142 | Y136-N140 WeakPolarHBondContact CE2-ND2 3.35Å; Y136-N140 PolarHBondContact O-N 3.3Å; Y136-N140 PolarHBondContact O-ND2 2.9Å; L137-N140 CarbonylContact O-C 3.57Å; L137-N140 WeakPolarHBondContact O-CA 3.47Å; L137-N140 PolarHBondContact O-N 3.37Å; H138-N140 VanDerWaalsContact C-N 3.26Å; H138-N140 PolarHBondContact O-N 3.32Å; N140-Q142 HydrophobicContact CB-CG 4.4Å; N140-Q142 PolarHBondContact O-N 3.29Å |
| 141 | G | 86.7 | Confident | 93.3 | Very high | 65 Ų | 65 | 33.2 Ų | 33.2 | 67% | 0.67 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72 | 12.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | L137 H138 K139 | L137-G141 PolarHBondContact O-N 2.85Å; H138-G141 PolarHBondContact O-N 3.3Å; H138-G141 VanDerWaalsContact O-N 3.14Å; K139-G141 VanDerWaalsContact C-N 3.31Å |
| 142 | Q | 87.9 | Confident | 93.2 | Very high | 52 Ų | 52 | 33.2 Ų | 33.2 | 24% | 0.243 | 18% | 0.175 | C | C | . | . | trans | -93.3 | 153.4 | -179.5 | -55.2 | -57.7 | -29.8 | 0 | 0 | 111.4 | L137 H138 N140 F165 | L137-Q142 CarbonylContact C-O 3.57Å; L137-Q142 HydrophobicContact CB-CB 4.08Å; L137-Q142 HydrophobicContact CD2-CB 4.06Å; L137-Q142 WeakPolarHBondContact O-CB 3.45Å; L137-Q142 PolarHBondContact O-N 2.83Å; H138-Q142 PolarHBondContact CD2-O 2.91Å; N140-Q142 HydrophobicContact CB-CG 4.4Å; N140-Q142 PolarHBondContact O-N 3.29Å; Q142-F165 HydrophobicContact CB-CE2 3.96Å; Q142-F165 HydrophobicContact CB-CZ 3.77Å; Q142-F165 HydrophobicContact CG-CZ 3.89Å | ||
| 143 | I | 88.3 | Confident | 93.1 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 15% | 0.154 | 17% | 0.169 | C | C | . | . | trans | -126.2 | 133.1 | 175.5 | -50.1 | 171.1 | 0 | 0 | 0 | 107.5 | R145 Y204 F206 D209 | I143-R145 HydrophobicContact CB-CG 4.28Å; I143-R145 HydrophobicContact CG2-CG 4.02Å; I143-Y204 HydrophobicContact CD1-CD2 4.29Å; I143-Y204 HydrophobicContact CD1-CE2 4.23Å; I143-Y204 HydrophobicContact CG2-CE2 4.08Å; I143-F206 HydrophobicContact CG1-CB 4.25Å; I143-D209 WeakPolarHBondContact CG2-OD1 3.28Å; I143-D209 WeakPolarHBondContact CG2-OD2 3.49Å | ||
| 144 | H | 90.3 | Very high | 93 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -76 | -34.1 | -177.5 | -165 | -88 | 0 | 0 | 0 | 113.2 | L134 L137 D146 V147 I162 A163 F165 A169 D209 | L134-H144 HydrophobicContact CD2-CB 3.87Å; L137-H144 HydrophobicContact CD1-CB 4.15Å; H144-D146 PolarHBondContact CE1-O 3.23Å; H144-D146 PolarHBondContact ND1-O 3.14Å; H144-D146 PolarHBondContact O-N 2.82Å; H144-V147 HydrophobicContact CB-CG2 3.78Å; H144-I162 VanDerWaalsContact NE2-CG2 3.32Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.05Å; H144-A163 PolarHBondContact CE1-O 3.43Å; H144-A163 PolarHBondContact NE2-O 3.44Å; H144-A163 VanDerWaalsContact NE2-O 3.08Å; H144-F165 PolarHBondContact NE2-N 3.32Å; H144-A169 WeakPolarHBondContact O-CB 3.17Å; H144-D209 PolarHBondContact N-OD1 2.98Å; H144-D209 PolarHBondContact N-OD2 2.72Å | ||
| 145 | R | 87.7 | Confident | 92.8 | Very high | 60 Ų | 60 | 32 Ų | 32 | 23% | 0.226 | 17% | 0.171 | C | C | . | . | trans | 65.2 | -30.8 | 177.1 | -42.3 | 175 | 175.3 | 136.7 | -1.7 | 115.9 | E63 I143 A169 T173 Y204 D209 | E63-R145 IonicContact OE1-CZ 2.69Å; E63-R145 IonicContact OE1-NH1 3.38Å; E63-R145 PolarHBondContact OE1-NH1 3.01Å; E63-R145 IonicContact OE1-NH2 3.55Å; E63-R145 PolarHBondContact OE1-NH2 2.64Å; E63-R145 IonicContact OE2-NH1 3.75Å; I143-R145 HydrophobicContact CB-CG 4.28Å; I143-R145 HydrophobicContact CG2-CG 4.02Å; R145-A169 HydrophobicContact CB-CB 4.21Å; R145-T173 HydrophobicContact CB-CG2 3.8Å; R145-Y204 VanDerWaalsContact CD-OH 3.29Å; R145-Y204 WeakPolarHBondContact CD-OH 3.46Å; R145-Y204 HydrophobicContact CG-CE2 4.31Å; R145-Y204 WeakPolarHBondContact CG-OH 3.39Å; R145-D209 PolarHBondContact N-OD1 3.15Å | ||
| 146 | D | 88.1 | Confident | 92.5 | Very high | 12 Ų | 12 | 36.6 Ų | 36.6 | 6% | 0.064 | 19% | 0.193 | C | C | . | . | trans | -126.3 | 59.6 | -176.2 | -164.2 | 29.5 | 0 | 0 | 0 | 112.5 | H144 K148 N151 | H144-D146 PolarHBondContact CE1-O 3.23Å; H144-D146 PolarHBondContact ND1-O 3.14Å; H144-D146 PolarHBondContact O-N 2.82Å; D146-K148 WeakPolarHBondContact OD1-CE 3.43Å; D146-K148 IonicContact OD1-NZ 3.45Å; D146-K148 PolarHBondContact OD1-NZ 3.09Å; D146-K148 VanDerWaalsContact OD2-CE 3.31Å; D146-K148 WeakPolarHBondContact OD2-CE 3.4Å; D146-K148 IonicContact OD2-NZ 3.48Å; D146-K148 PolarHBondContact OD2-NZ 3.4Å; D146-N151 VanDerWaalsContact CG-ND2 3.28Å; D146-N151 PolarHBondContact O-ND2 3.2Å; D146-N151 PolarHBondContact OD2-ND2 3.4Å | ||
| 147 | V | 94.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | trans | -85.7 | 112.6 | 176.8 | -173.3 | 0 | 0 | 0 | 0 | 110.2 | V130 L134 H144 W192 D209 F213 T216 | V130-V147 HydrophobicContact CG1-CG1 4.48Å; L134-V147 HydrophobicContact CD1-CG2 4.47Å; L134-V147 HydrophobicContact CD2-CG2 3.98Å; H144-V147 HydrophobicContact CB-CG2 3.78Å; V147-W192 VanDerWaalsContact O-CD1 3.25Å; V147-D209 HydrophobicContact CG2-CB 4.16Å; V147-F213 HydrophobicContact CG1-CB 4.5Å; V147-T216 PolarHBondContact O-OG1 2.84Å; V147-T216 VanDerWaalsContact O-OG1 3.08Å | ||
| 148 | K | 94.2 | Very high | 92.3 | Very high | 33 Ų | 33 | 37.6 Ų | 37.6 | 14% | 0.143 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -157 | 162.6 | 178.5 | 62.4 | -163.9 | 177.9 | -148.4 | 0 | 111 | D146 G150 N151 I152 T189 W192 T216 | D146-K148 WeakPolarHBondContact OD1-CE 3.43Å; D146-K148 IonicContact OD1-NZ 3.45Å; D146-K148 PolarHBondContact OD1-NZ 3.09Å; D146-K148 VanDerWaalsContact OD2-CE 3.31Å; D146-K148 WeakPolarHBondContact OD2-CE 3.4Å; D146-K148 IonicContact OD2-NZ 3.48Å; D146-K148 PolarHBondContact OD2-NZ 3.4Å; K148-G150 PolarHBondContact O-N 2.8Å; K148-G150 VanDerWaalsContact O-N 3.15Å; K148-N151 HydrophobicContact CG-CB 4.31Å; K148-N151 PolarHBondContact O-N 2.72Å; K148-I152 PolarHBondContact O-N 3.02Å; K148-T189 PolarHBondContact NZ-OG1 2.64Å; K148-W192 HydrophobicContact CB-CD2 4.04Å; K148-W192 HydrophobicContact CB-CG 4Å; K148-W192 HydrophobicContact CB-CZ2 4.3Å; K148-W192 VanDerWaalsContact CB-NE1 3.33Å; K148-T216 WeakPolarHBondContact CA-OG1 3.35Å |
| 149 | A | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | G | 310 helix | trans | -62.9 | -24.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | V100 L101 I104 N151 I152 E219 L220 | V100-A149 HydrophobicContact CB-CB 4.11Å; V100-A149 HydrophobicContact CG1-CB 4.13Å; V100-A149 PolarHBondContact N-O 3.14Å; L101-A149 HydrophobicContact CB-CB 4.39Å; L101-A149 PolarHBondContact N-O 2.97Å; L101-A149 VanDerWaalsContact N-O 3.14Å; I104-A149 HydrophobicContact CD1-CB 3.79Å; A149-N151 VanDerWaalsContact C-N 3.25Å; A149-N151 PolarHBondContact O-N 3.4Å; A149-I152 PolarHBondContact O-N 3.32Å; A149-E219 HydrophobicContact CB-CG 4.05Å; A149-E219 WeakPolarHBondContact CB-OE1 3.09Å; A149-E219 WeakPolarHBondContact CB-OE2 3.41Å; A149-E219 PolarHBondContact N-OE1 3.23Å; A149-E219 PolarHBondContact N-OE2 3.36Å; A149-L220 HydrophobicContact CB-CD1 3.78Å |
| 150 | G | 91.4 | Very high | 92.6 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -64.3 | -28.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | S99 K148 | S99-G150 VanDerWaalsContact CB-O 3.3Å; S99-G150 WeakPolarHBondContact CB-O 3.36Å; K148-G150 PolarHBondContact O-N 2.8Å; K148-G150 VanDerWaalsContact O-N 3.15Å |
| 151 | N | 94 | Very high | 93 | Very high | 14 Ų | 14 | 26.6 Ų | 26.6 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -99.6 | 5.9 | -178.9 | -64.7 | 0.1 | 0 | 0 | 0 | 112.5 | D146 K148 A149 I162 A163 | D146-N151 VanDerWaalsContact CG-ND2 3.28Å; D146-N151 PolarHBondContact O-ND2 3.2Å; D146-N151 PolarHBondContact OD2-ND2 3.4Å; K148-N151 HydrophobicContact CG-CB 4.31Å; K148-N151 PolarHBondContact O-N 2.72Å; A149-N151 VanDerWaalsContact C-N 3.25Å; A149-N151 PolarHBondContact O-N 3.4Å; N151-I162 WeakPolarHBondContact O-CA 3.44Å; N151-A163 PolarHBondContact O-N 2.89Å |
| 152 | I | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.3 | 170 | -58.3 | 167 | 0 | 0 | 0 | 107.3 | S99 V100 I126 V130 K148 A149 V160 T216 | S99-I152 CarbonylContact C-O 3.53Å; S99-I152 VanDerWaalsContact CA-O 3.28Å; S99-I152 WeakPolarHBondContact CA-O 3.27Å; V100-I152 HydrophobicContact CB-CB 4.35Å; V100-I152 HydrophobicContact CG2-CB 3.91Å; V100-I152 HydrophobicContact CG2-CG2 3.64Å; V100-I152 PolarHBondContact N-O 2.87Å; I126-I152 HydrophobicContact CG2-CG2 3.9Å; V130-I152 HydrophobicContact CG2-CD1 3.71Å; V130-I152 HydrophobicContact CG2-CG1 3.85Å; V130-I152 HydrophobicContact CG2-CG2 3.93Å; K148-I152 PolarHBondContact O-N 3.02Å; A149-I152 PolarHBondContact O-N 3.32Å; I152-V160 HydrophobicContact CG2-CG1 3.53Å; I152-T216 HydrophobicContact CD1-CG2 3.64Å |
| 153 | L | 96.2 | Very high | 93.7 | Very high | 41 Ų | 41 | 21.5 Ų | 21.5 | 22% | 0.215 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 150.6 | -176.2 | -59.6 | -170.2 | 0 | 0 | 0 | 112.4 | V76 L95 G98 V160 Q161 A163 | V76-L153 HydrophobicContact CG2-CD1 4.26Å; L95-L153 HydrophobicContact CB-CB 4.15Å; L95-L153 HydrophobicContact CD1-CB 3.5Å; L95-L153 VanDerWaalsContact CD1-CB 3.5Å; L95-L153 HydrophobicContact CD1-CD1 4.24Å; L95-L153 HydrophobicContact CG-CB 4.5Å; G98-L153 CarbonylContact O-C 3.6Å; G98-L153 WeakPolarHBondContact O-CA 3.35Å; L153-V160 WeakPolarHBondContact O-CA 3.21Å; L153-Q161 PolarHBondContact N-O 2.87Å; L153-Q161 PolarHBondContact O-N 3.4Å; L153-A163 HydrophobicContact CD1-CB 3.64Å; L153-A163 HydrophobicContact CG-CB 3.78Å |
| 154 | L | 96 | Very high | 93.3 | Very high | 2 Ų | 2 | 22.1 Ų | 22.1 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 127.5 | -177.2 | -55.9 | 178.1 | 0 | 0 | 0 | 111.5 | L95 G97 G98 V100 I103 S159 V160 I304 L305 | L95-L154 CarbonylContact C-O 3.05Å; G97-L154 WeakPolarHBondContact CA-O 3.41Å; G97-L154 PolarHBondContact N-O 2.68Å; G98-L154 PolarHBondContact O-N 2.98Å; V100-L154 HydrophobicContact CG2-CD1 4.47Å; V100-L154 HydrophobicContact CG2-CD2 4.2Å; V100-L154 HydrophobicContact CG2-CG 4.33Å; I103-L154 HydrophobicContact CD1-CD1 4.45Å; I103-L154 HydrophobicContact CG1-CD1 4.02Å; L154-S159 CarbonylContact C-O 3.44Å; L154-S159 WeakPolarHBondContact CA-O 3.48Å; L154-V160 HydrophobicContact CD2-CB 4.43Å; L154-V160 HydrophobicContact CD2-CG1 4.35Å; L154-V160 HydrophobicContact CD2-CG2 3.81Å; L154-I304 HydrophobicContact CD1-CG2 4.07Å; L154-L305 HydrophobicContact CB-CD2 4.01Å; L154-L305 HydrophobicContact CD1-CD2 3.9Å |
| 155 | G | 94.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.031 | 12% | 0.118 | C | C | . | . | trans | -79.6 | 156.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D157 G158 S159 L305 | G155-D157 PolarHBondContact O-N 3.31Å; G155-D157 VanDerWaalsContact O-N 3.15Å; G155-G158 PolarHBondContact O-N 3.05Å; G155-S159 PolarHBondContact N-O 3.07Å; G155-L305 WeakPolarHBondContact O-CD1 3.48Å | ||
| 156 | E | 91.9 | Very high | 92 | Very high | 130 Ų | 130 | 19.8 Ų | 19.8 | 61% | 0.607 | 11% | 0.108 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.5 | 178.1 | -64.8 | 176.9 | -159.7 | 0 | 0 | 113.2 | S96 G158 Q301 | S96-E156 WeakPolarHBondContact CB-OE1 3.3Å; S96-E156 PolarHBondContact OG-OE1 3.41Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.49Å; E156-Q301 PolarHBondContact O-NE2 2.82Å |
| 157 | D | 92.5 | Very high | 91.1 | Very high | 63 Ų | 63 | 19.2 Ų | 19.2 | 34% | 0.337 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | 5.4 | 176 | 80.2 | -46.7 | 0 | 0 | 0 | 114.1 | G155 S159 K297 | G155-D157 PolarHBondContact O-N 3.31Å; G155-D157 VanDerWaalsContact O-N 3.15Å; D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 3.26Å; D157-S159 VanDerWaalsContact OD1-N 3.11Å; D157-S159 PolarHBondContact OD1-OG 3.22Å; D157-K297 WeakPolarHBondContact O-CD 3.48Å; D157-K297 IonicContact OD2-NZ 2.75Å; D157-K297 PolarHBondContact OD2-NZ 3.46Å |
| 158 | G | 94.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 19.6 Ų | 19.6 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 80.5 | 6.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | G155 E156 K297 | G155-G158 PolarHBondContact O-N 3.05Å; E156-G158 VanDerWaalsContact C-N 3.28Å; E156-G158 PolarHBondContact O-N 3.49Å; G158-K297 WeakPolarHBondContact O-CB 3.26Å |
| 159 | S | 96.6 | Very high | 88.2 | Confident | 22 Ų | 22 | 18 Ų | 18 | 15% | 0.154 | 10% | 0.101 | C | C | . | . | trans | -64 | 148.4 | 171.7 | 56.2 | 0 | 0 | 0 | 0 | 111.8 | L154 G155 D157 | L154-S159 CarbonylContact C-O 3.44Å; L154-S159 WeakPolarHBondContact CA-O 3.48Å; G155-S159 PolarHBondContact N-O 3.07Å; D157-S159 VanDerWaalsContact C-N 3.34Å; D157-S159 WeakPolarHBondContact OD1-CB 3.38Å; D157-S159 PolarHBondContact OD1-N 3.26Å; D157-S159 VanDerWaalsContact OD1-N 3.11Å; D157-S159 PolarHBondContact OD1-OG 3.22Å | ||
| 160 | V | 98.2 | Very high | 87 | Confident | 1 Ų | 1 | 18.9 Ų | 18.9 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.5 | -179.1 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | N74 I126 E129 V130 I152 L153 L154 L300 | N74-V160 PolarHBondContact ND2-O 2.97Å; N74-V160 VanDerWaalsContact ND2-O 3.1Å; I126-V160 HydrophobicContact CG2-CG1 4.12Å; E129-V160 HydrophobicContact CB-CB 3.65Å; E129-V160 HydrophobicContact CB-CG1 4.01Å; E129-V160 HydrophobicContact CB-CG2 4.3Å; E129-V160 HydrophobicContact CG-CB 3.89Å; E129-V160 HydrophobicContact CG-CG2 4.04Å; V130-V160 HydrophobicContact CG2-CG1 4.43Å; I152-V160 HydrophobicContact CG2-CG1 3.53Å; L153-V160 WeakPolarHBondContact O-CA 3.21Å; L154-V160 HydrophobicContact CD2-CB 4.43Å; L154-V160 HydrophobicContact CD2-CG1 4.35Å; L154-V160 HydrophobicContact CD2-CG2 3.81Å; V160-L300 HydrophobicContact CG2-CD1 3.49Å; V160-L300 VanDerWaalsContact CG2-CD1 3.49Å |
| 161 | Q | 97.8 | Very high | 85.6 | Confident | 8 Ų | 8 | 19.4 Ų | 19.4 | 4% | 0.037 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 140.9 | -177.2 | -51.8 | -163.9 | -42.3 | 0 | 0 | 111.7 | P73 N74 V76 L95 L153 | P73-Q161 WeakPolarHBondContact O-CG 3.34Å; P73-Q161 PolarHBondContact O-NE2 3.38Å; N74-Q161 CarbonylContact O-C 3.58Å; N74-Q161 WeakPolarHBondContact O-CA 3.41Å; V76-Q161 HydrophobicContact CG2-CB 3.73Å; L95-Q161 HydrophobicContact CD1-CB 3.85Å; L95-Q161 HydrophobicContact CD1-CG 4.07Å; L153-Q161 PolarHBondContact N-O 2.87Å; L153-Q161 PolarHBondContact O-N 3.4Å |
| 162 | I | 96.4 | Very high | 83.8 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 129.2 | 173.2 | -40.6 | 174.5 | 0 | 0 | 0 | 109.5 | N74 I75 V76 V130 L134 H144 N151 | N74-I162 PolarHBondContact O-N 3.17Å; I75-I162 HydrophobicContact CD1-CB 3.98Å; I75-I162 HydrophobicContact CD1-CD1 3.94Å; I75-I162 HydrophobicContact CD1-CG1 4.15Å; V76-I162 WeakPolarHBondContact CG2-O 3.49Å; V76-I162 PolarHBondContact N-O 2.86Å; V130-I162 HydrophobicContact CG1-CD1 3.98Å; V130-I162 HydrophobicContact CG1-CG1 4.34Å; L134-I162 HydrophobicContact CD2-CD1 4.03Å; L134-I162 HydrophobicContact CG-CD1 3.91Å; H144-I162 VanDerWaalsContact NE2-CG2 3.32Å; H144-I162 WeakPolarHBondContact NE2-CG2 3.05Å; N151-I162 WeakPolarHBondContact O-CA 3.44Å |
| 163 | A | 91.7 | Very high | 81.9 | Confident | 8 Ų | 8 | 20.6 Ų | 20.6 | 7% | 0.066 | 11% | 0.113 | C | C | . | . | trans | -105.9 | 171.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | V76 H144 N151 L153 F165 | V76-A163 HydrophobicContact CB-CB 4.47Å; V76-A163 HydrophobicContact CG2-CB 3.8Å; H144-A163 PolarHBondContact CE1-O 3.43Å; H144-A163 PolarHBondContact NE2-O 3.44Å; H144-A163 VanDerWaalsContact NE2-O 3.08Å; N151-A163 PolarHBondContact O-N 2.89Å; L153-A163 HydrophobicContact CD1-CB 3.64Å; L153-A163 HydrophobicContact CG-CB 3.78Å; A163-F165 VanDerWaalsContact C-N 3.27Å; A163-F165 PolarHBondContact O-N 2.99Å | ||
| 164 | D | 81.3 | Confident | 79.9 | Confident | 44 Ų | 44 | 19.5 Ų | 19.5 | 24% | 0.235 | 11% | 0.112 | C | C | . | . | trans | 63.6 | 21.4 | 173.6 | -82 | 16 | 0 | 0 | 0 | 116.6 | K46 S168 A169 | K46-D164 IonicContact NZ-OD1 2.71Å; K46-D164 PolarHBondContact NZ-OD1 3.27Å; K46-D164 IonicContact NZ-OD2 3.51Å; K46-D164 PolarHBondContact NZ-OD2 2.81Å; D164-S168 VanDerWaalsContact O-CB 3.31Å; D164-S168 WeakPolarHBondContact O-CB 3.28Å; D164-A169 WeakPolarHBondContact O-CB 3.33Å; D164-A169 PolarHBondContact O-N 3.42Å | ||
| 165 | F | 77.3 | Confident | 78.1 | Confident | 10 Ų | 10 | 19.9 Ų | 19.9 | 4% | 0.044 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 163.2 | 162.5 | 178.8 | -117.4 | 0 | 0 | 0 | 112.8 | M67 C70 L137 Q142 H144 A163 V167 | M67-F165 HydrophobicContact CG-CD1 3.94Å; M67-F165 HydrophobicContact CG-CE1 4.22Å; C70-F165 HydrophobicContact CB-CE1 4.28Å; L137-F165 HydrophobicContact CD1-CD2 4.16Å; L137-F165 HydrophobicContact CD2-CD1 4.27Å; L137-F165 HydrophobicContact CD2-CD2 4.28Å; L137-F165 HydrophobicContact CD2-CE1 4.14Å; L137-F165 HydrophobicContact CD2-CE2 4.16Å; L137-F165 HydrophobicContact CD2-CG 4.36Å; L137-F165 HydrophobicContact CD2-CZ 4.1Å; Q142-F165 HydrophobicContact CB-CE2 3.96Å; Q142-F165 HydrophobicContact CB-CZ 3.77Å; Q142-F165 HydrophobicContact CG-CZ 3.89Å; H144-F165 PolarHBondContact NE2-N 3.32Å; A163-F165 VanDerWaalsContact C-N 3.27Å; A163-F165 PolarHBondContact O-N 2.99Å; F165-V167 PolarHBondContact O-N 3.08Å |
| 166 | G | 72.9 | Confident | 76.1 | Confident | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 66.5 | -118.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E63 S168 A169 F170 | E63-G166 VanDerWaalsContact OE2-CA 3.3Å; E63-G166 WeakPolarHBondContact OE2-CA 3.4Å; G166-S168 PolarHBondContact O-N 3.14Å; G166-S168 VanDerWaalsContact O-N 3.14Å; G166-A169 WeakPolarHBondContact O-CB 3.47Å; G166-A169 PolarHBondContact O-N 3.05Å; G166-A169 VanDerWaalsContact O-N 3.16Å; G166-F170 WeakPolarHBondContact O-CB 3.45Å; G166-F170 PolarHBondContact O-N 2.78Å |
| 167 | V | 68.4 | Low | 74 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -51.6 | -41.9 | -177.5 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | I48 L60 E63 I64 M67 L90 F165 L171 | I48-V167 HydrophobicContact CD1-CG1 3.7Å; L60-V167 HydrophobicContact CD2-CG1 3.64Å; L60-V167 HydrophobicContact CD2-CG2 4.46Å; E63-V167 HydrophobicContact CB-CB 4.45Å; E63-V167 HydrophobicContact CB-CG2 3.74Å; I64-V167 HydrophobicContact CG1-CG2 3.61Å; M67-V167 HydrophobicContact SD-CB 4.11Å; M67-V167 HydrophobicContact SD-CG2 4.01Å; M67-V167 PolarHBondContact SD-N 3.46Å; L90-V167 HydrophobicContact CD1-CB 4.25Å; L90-V167 HydrophobicContact CD1-CG1 4.37Å; F165-V167 PolarHBondContact O-N 3.08Å; V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CB 3.42Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.33Å; V167-L171 PolarHBondContact O-N 2.83Å |
| 168 | S | 63.6 | Low | 71.4 | Confident | 10 Ų | 10 | 22.5 Ų | 22.5 | 7% | 0.07 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -70.8 | -45.9 | -176.5 | -61 | 0 | 0 | 0 | 0 | 111.1 | K46 D164 G166 L171 A172 | K46-S168 PolarHBondContact NZ-OG 2.67Å; D164-S168 VanDerWaalsContact O-CB 3.31Å; D164-S168 WeakPolarHBondContact O-CB 3.28Å; G166-S168 PolarHBondContact O-N 3.14Å; G166-S168 VanDerWaalsContact O-N 3.14Å; S168-L171 PolarHBondContact O-N 2.94Å; S168-A172 WeakPolarHBondContact O-CB 3.4Å; S168-A172 PolarHBondContact O-N 3.48Å |
| 169 | A | 63.7 | Low | 68.7 | Low | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59 | -46.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113 | H144 R145 D164 G166 A172 T173 | H144-A169 WeakPolarHBondContact O-CB 3.17Å; R145-A169 HydrophobicContact CB-CB 4.21Å; D164-A169 WeakPolarHBondContact O-CB 3.33Å; D164-A169 PolarHBondContact O-N 3.42Å; G166-A169 WeakPolarHBondContact O-CB 3.47Å; G166-A169 PolarHBondContact O-N 3.05Å; G166-A169 VanDerWaalsContact O-N 3.16Å; A169-A172 PolarHBondContact O-N 2.59Å; A169-T173 PolarHBondContact O-N 2.7Å; A169-T173 PolarHBondContact O-OG1 2.79Å |
| 170 | F | 71.6 | Confident | 65.5 | Low | 17 Ų | 17 | 36.9 Ų | 36.9 | 8% | 0.075 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -49 | 177.2 | 177.3 | -94.6 | 0 | 0 | 0 | 111.8 | E59 E63 G166 G174 G175 D176 | E59-F170 HydrophobicContact CB-CE1 4.17Å; E59-F170 HydrophobicContact CB-CZ 3.96Å; E59-F170 HydrophobicContact CG-CZ 4.3Å; E63-F170 HydrophobicContact CG-CB 3.82Å; E63-F170 HydrophobicContact CG-CD1 4.5Å; E63-F170 HydrophobicContact CG-CD2 4Å; E63-F170 HydrophobicContact CG-CG 3.87Å; E63-F170 VanDerWaalsContact OE1-CD2 3.32Å; E63-F170 WeakPolarHBondContact OE1-CD2 3.38Å; G166-F170 WeakPolarHBondContact O-CB 3.45Å; G166-F170 PolarHBondContact O-N 2.78Å; F170-G174 PolarHBondContact O-N 3.3Å; F170-G175 WeakPolarHBondContact O-CA 3.24Å; F170-G175 PolarHBondContact O-N 2.97Å; F170-D176 HydrophobicContact CE2-CB 4.23Å |
| 171 | L | 62.6 | Low | 62.4 | Low | 31 Ų | 31 | 45.9 Ų | 45.9 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 176 | -70.1 | 172.3 | 0 | 0 | 0 | 111.8 | I48 C53 T55 L60 V167 S168 T173 G174 | I48-L171 HydrophobicContact CD1-CD1 4.45Å; I48-L171 HydrophobicContact CG2-CD1 4.02Å; C53-L171 HydrophobicContact CB-CD1 4.49Å; C53-L171 HydrophobicContact CB-CD2 3.84Å; T55-L171 HydrophobicContact CG2-CD2 3.84Å; L60-L171 HydrophobicContact CD2-CD1 4.36Å; V167-L171 HydrophobicContact CG1-CD1 3.86Å; V167-L171 HydrophobicContact CG1-CG 4.48Å; V167-L171 WeakPolarHBondContact O-CB 3.42Å; V167-L171 VanDerWaalsContact O-CG 3.26Å; V167-L171 WeakPolarHBondContact O-CG 3.33Å; V167-L171 PolarHBondContact O-N 2.83Å; S168-L171 PolarHBondContact O-N 2.94Å; L171-T173 PolarHBondContact O-N 3.37Å; L171-G174 PolarHBondContact O-N 3.42Å |
| 172 | A | 55.9 | Low | 59 | Low | 29 Ų | 29 | 51.3 Ų | 51.3 | 24% | 0.24 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | S168 A169 G174 V187 G188 | S168-A172 WeakPolarHBondContact O-CB 3.4Å; S168-A172 PolarHBondContact O-N 3.48Å; A169-A172 PolarHBondContact O-N 2.59Å; A172-G174 VanDerWaalsContact C-N 3.32Å; A172-G174 PolarHBondContact O-N 3.07Å; A172-V187 CarbonylContact O-C 3.58Å; A172-V187 VanDerWaalsContact O-O 3.12Å; A172-G188 WeakPolarHBondContact O-CA 3.41Å; A172-G188 PolarHBondContact O-N 2.81Å |
| 173 | T | 56 | Low | 55.8 | Low | 10 Ų | 10 | 56.9 Ų | 56.9 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | 21.1 | 176.4 | 67.9 | 0 | 0 | 0 | 0 | 114.2 | R145 A169 L171 G175 | R145-T173 HydrophobicContact CB-CG2 3.8Å; A169-T173 PolarHBondContact O-N 2.7Å; A169-T173 PolarHBondContact O-OG1 2.79Å; L171-T173 PolarHBondContact O-N 3.37Å; T173-G175 VanDerWaalsContact C-N 3.35Å; T173-G175 PolarHBondContact O-N 2.8Å |
| 174 | G | 55.2 | Low | 52.7 | Low | 17 Ų | 17 | 65.9 Ų | 65.9 | 18% | 0.175 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.8 | 10.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | F170 L171 A172 R183 | F170-G174 PolarHBondContact O-N 3.3Å; L171-G174 PolarHBondContact O-N 3.42Å; A172-G174 VanDerWaalsContact C-N 3.32Å; A172-G174 PolarHBondContact O-N 3.07Å; G174-R183 PolarHBondContact O-NH1 3.46Å |
| 175 | G | 57.8 | Low | 50.5 | Low | 11 Ų | 11 | 66.2 Ų | 66.2 | 11% | 0.113 | 34% | 0.335 | C | S | . | . | S | Bend | trans | 88.4 | -153.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | F170 T173 I177 | F170-G175 WeakPolarHBondContact O-CA 3.24Å; F170-G175 PolarHBondContact O-N 2.97Å; T173-G175 VanDerWaalsContact C-N 3.35Å; T173-G175 PolarHBondContact O-N 2.8Å; G175-I177 PolarHBondContact O-N 3.33Å |
| 176 | D | 52.6 | Low | 48.6 | Very low | 74 Ų | 74 | 68.4 Ų | 68.4 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | trans | -76 | 85.3 | 175.9 | -176.9 | 5.6 | 0 | 0 | 0 | 111 | F170 T178 R179 | F170-D176 HydrophobicContact CE2-CB 4.23Å; D176-T178 PolarHBondContact O-N 2.76Å; D176-T178 WeakPolarHBondContact OD1-CB 3.37Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.46Å; D176-T178 PolarHBondContact OD1-N 2.83Å; D176-T178 PolarHBondContact OD1-OG1 2.99Å; D176-R179 HydrophobicContact CB-CG 4.5Å; D176-R179 PolarHBondContact O-N 3.08Å; D176-R179 WeakPolarHBondContact OD2-CD 3.25Å; D176-R179 WeakPolarHBondContact OD2-CG 3.02Å | ||
| 177 | I | 47.6 | Very low | 47 | Very low | 70 Ų | 70 | 71.3 Ų | 71.3 | 36% | 0.359 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -21.8 | 179.1 | -55.5 | 176.1 | 0 | 0 | 0 | 112.1 | G175 R179 Q200 | G175-I177 PolarHBondContact O-N 3.33Å; I177-R179 VanDerWaalsContact C-N 3.25Å; I177-R179 PolarHBondContact O-N 3.47Å; I177-Q200 HydrophobicContact CG2-CG 4.34Å |
| 178 | T | 37.9 | Very low | 46 | Very low | 107 Ų | 107 | 72.7 Ų | 72.7 | 66% | 0.656 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -12.3 | -175.5 | 75.3 | 0 | 0 | 0 | 0 | 114.5 | D176 | D176-T178 PolarHBondContact O-N 2.76Å; D176-T178 WeakPolarHBondContact OD1-CB 3.37Å; D176-T178 WeakPolarHBondContact OD1-CG2 3.46Å; D176-T178 PolarHBondContact OD1-N 2.83Å; D176-T178 PolarHBondContact OD1-OG1 2.99Å |
| 179 | R | 36.6 | Very low | 45.9 | Very low | 158 Ų | 158 | 74.5 Ų | 74.5 | 60% | 0.596 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -93.8 | 124.7 | -176.4 | -57.2 | -176.4 | 80.8 | -171.7 | 8.3 | 111.2 | E59 D176 I177 K181 | E59-R179 IonicContact OE1-NH1 2.63Å; E59-R179 PolarHBondContact OE1-NH1 2.92Å; D176-R179 HydrophobicContact CB-CG 4.5Å; D176-R179 PolarHBondContact O-N 3.08Å; D176-R179 WeakPolarHBondContact OD2-CD 3.25Å; D176-R179 WeakPolarHBondContact OD2-CG 3.02Å; I177-R179 VanDerWaalsContact C-N 3.25Å; I177-R179 PolarHBondContact O-N 3.47Å; R179-K181 PolarHBondContact O-N 3.03Å |
| 180 | N | 31.4 | Very low | 46.3 | Very low | 167 Ų | 167 | 75.1 Ų | 75.1 | 89% | 0.893 | 39% | 0.39 | S | S | * | . | trans | -58.5 | 18.5 | -175.3 | -73 | -27.9 | 0 | 0 | 0 | 118 | V182 | N180-V182 PolarHBondContact O-N 3.43Š| ||
| 181 | K | 32.4 | Very low | 46.7 | Very low | 191 Ų | 191 | 75 Ų | 75 | 83% | 0.83 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -87.6 | 76.8 | 174.2 | -76.4 | -169.3 | 173.9 | -175.1 | 0 | 111.5 | R179 R183 | R179-K181 PolarHBondContact O-N 3.03Å; K181-R183 PolarHBondContact O-N 3.22Å |
| 182 | V | 26.3 | Very low | 47.9 | Very low | 121 Ų | 121 | 74.6 Ų | 74.6 | 73% | 0.733 | 39% | 0.388 | S | S | * | . | trans | 1.5 | 79.9 | 163.1 | -167.1 | 0 | 0 | 0 | 0 | 115.9 | N180 K184 | N180-V182 PolarHBondContact O-N 3.43Å; V182-K184 HydrophobicContact CG1-CG 3.93Å | ||
| 183 | R | 28 | Very low | 49.1 | Very low | 120 Ų | 120 | 73.9 Ų | 73.9 | 45% | 0.453 | 38% | 0.379 | S | S | . | . | trans | -94.5 | 113.5 | 149.9 | -79.1 | -175.8 | 166.3 | 148.2 | 4.1 | 106.8 | Q54 G174 K181 T185 | Q54-R183 VanDerWaalsContact CB-NH2 3.3Å; Q54-R183 PolarHBondContact O-NH2 3.22Å; Q54-R183 VanDerWaalsContact O-NH2 3.09Å; G174-R183 PolarHBondContact O-NH1 3.46Å; K181-R183 PolarHBondContact O-N 3.22Å; R183-T185 PolarHBondContact O-N 3.14Å | ||
| 184 | K | 27 | Very low | 50.2 | Low | 197 Ų | 197 | 73.4 Ų | 73.4 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | trans | -81.9 | 9.3 | 175.6 | -70.3 | -175.5 | 176.8 | 178.6 | 0 | 112.8 | V182 | V182-K184 HydrophobicContact CG1-CG 3.93Š| ||
| 185 | T | 36.1 | Very low | 51.4 | Low | 51 Ų | 51 | 72.8 Ų | 72.8 | 31% | 0.313 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -130.5 | 123.2 | -156.5 | 46.5 | 0 | 0 | 0 | 0 | 110.3 | R183 V187 Q466 | R183-T185 PolarHBondContact O-N 3.14Å; T185-V187 PolarHBondContact O-N 2.84Å; T185-V187 VanDerWaalsContact O-N 3.16Å; T185-Q466 HydrophobicContact CG2-CG 3.92Å |
| 186 | F | 36.3 | Very low | 52.5 | Low | 56 Ų | 56 | 73.6 Ų | 73.6 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | trans | -82.3 | 91.8 | -177.9 | -167.5 | -81.9 | 0 | 0 | 0 | 109.4 | P190 M193 M198 | F186-P190 HydrophobicContact CD1-CB 4.46Å; F186-P190 HydrophobicContact CE1-CB 3.78Å; F186-P190 HydrophobicContact CZ-CB 4.5Å; F186-M193 HydrophobicContact CE1-CE 3.9Å; F186-M193 HydrophobicContact CE1-SD 3.45Å; F186-M193 WeakPolarHBondContact CE1-SD 3.49Å; F186-M193 HydrophobicContact CE2-CE 4.22Å; F186-M193 HydrophobicContact CZ-CE 3.43Å; F186-M193 VanDerWaalsContact CZ-CE 3.43Å; F186-M193 HydrophobicContact CZ-SD 3.51Å; F186-M193 VanDerWaalsContact CZ-SD 3.51Å; F186-M198 HydrophobicContact CE2-CG 4.35Å; F186-M198 HydrophobicContact CZ-CG 4.2Å | ||
| 187 | V | 38.9 | Very low | 53.5 | Low | 61 Ų | 61 | 70.7 Ų | 70.7 | 37% | 0.37 | 36% | 0.355 | S | S | . | . | trans | -87.3 | 120.2 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 108.5 | A172 T185 | A172-V187 CarbonylContact O-C 3.58Å; A172-V187 VanDerWaalsContact O-O 3.12Å; T185-V187 PolarHBondContact O-N 2.84Å; T185-V187 VanDerWaalsContact O-N 3.16Å | ||
| 188 | G | 47.5 | Very low | 54.7 | Low | 28 Ų | 28 | 67.9 Ų | 67.9 | 29% | 0.289 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 158.2 | 180 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A172 P190 | A172-G188 WeakPolarHBondContact O-CA 3.41Å; A172-G188 PolarHBondContact O-N 2.81Å; G188-P190 WeakPolarHBondContact O-CD 3.08Å |
| 189 | T | 62.7 | Low | 56.2 | Low | 49 Ų | 49 | 68.3 Ų | 68.3 | 30% | 0.301 | 34% | 0.335 | S | S | . | . | trans | -103.5 | 84.6 | 175.5 | -40.7 | 0 | 0 | 0 | 0 | 109.6 | K148 C191 W192 | K148-T189 PolarHBondContact NZ-OG1 2.64Å; T189-C191 VanDerWaalsContact C-N 3.26Å; T189-C191 PolarHBondContact O-N 2.93Å; T189-W192 HydrophobicContact CG2-CE3 3.44Å; T189-W192 VanDerWaalsContact CG2-CE3 3.44Å; T189-W192 HydrophobicContact CG2-CH2 4.36Å; T189-W192 HydrophobicContact CG2-CZ3 3.31Å; T189-W192 PolarHBondContact O-N 3.21Å | ||
| 190 | P | 72.4 | Confident | 57.6 | Low | 12 Ų | 12 | 66.1 Ų | 66.1 | 8% | 0.078 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -60.4 | -28.2 | -161.1 | 22.9 | -35.9 | 0 | 0 | 0 | 114.8 | F186 G188 W192 M193 M198 P232 V235 | F186-P190 HydrophobicContact CD1-CB 4.46Å; F186-P190 HydrophobicContact CE1-CB 3.78Å; F186-P190 HydrophobicContact CZ-CB 4.5Å; G188-P190 WeakPolarHBondContact O-CD 3.08Å; P190-W192 PolarHBondContact O-N 3.04Å; P190-W192 VanDerWaalsContact O-N 3.14Å; P190-M193 PolarHBondContact O-N 2.89Å; P190-M193 VanDerWaalsContact O-N 3.09Å; P190-M198 HydrophobicContact CB-CE 4.49Å; P190-M198 WeakPolarHBondContact O-CE 3.33Å; P190-P232 HydrophobicContact CG-CB 3.97Å; P190-P232 HydrophobicContact CG-CG 4.36Å; P190-V235 HydrophobicContact CB-CB 4.24Å; P190-V235 HydrophobicContact CB-CG1 3.94Å; P190-V235 HydrophobicContact CG-CB 4.35Å; P190-V235 HydrophobicContact CG-CG1 4.33Å |
| 191 | C | 80.4 | Confident | 58.6 | Low | 14 Ų | 14 | 64 Ų | 64 | 10% | 0.095 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -64.4 | -20.5 | -174.2 | -50.1 | 0 | 0 | 0 | 0 | 113.8 | T189 I215 A225 V235 | T189-C191 VanDerWaalsContact C-N 3.26Å; T189-C191 PolarHBondContact O-N 2.93Å; C191-I215 WeakPolarHBondContact O-CG2 3.2Å; C191-A225 HydrophobicContact CB-CB 3.59Å; C191-V235 HydrophobicContact CB-CG1 4.28Å |
| 192 | W | 87.1 | Confident | 59.7 | Low | 24 Ų | 24 | 65.1 Ų | 65.1 | 9% | 0.091 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -101.5 | -9.1 | 176.9 | -66 | -107 | 0 | 0 | 0 | 113.2 | V147 K148 T189 P190 S212 I215 E219 A225 | V147-W192 VanDerWaalsContact O-CD1 3.25Å; K148-W192 HydrophobicContact CB-CD2 4.04Å; K148-W192 HydrophobicContact CB-CG 4Å; K148-W192 HydrophobicContact CB-CZ2 4.3Å; K148-W192 VanDerWaalsContact CB-NE1 3.33Å; T189-W192 HydrophobicContact CG2-CE3 3.44Å; T189-W192 VanDerWaalsContact CG2-CE3 3.44Å; T189-W192 HydrophobicContact CG2-CH2 4.36Å; T189-W192 HydrophobicContact CG2-CZ3 3.31Å; T189-W192 PolarHBondContact O-N 3.21Å; P190-W192 PolarHBondContact O-N 3.04Å; P190-W192 VanDerWaalsContact O-N 3.14Å; W192-S212 VanDerWaalsContact O-CA 3.29Å; W192-S212 WeakPolarHBondContact O-CA 3.44Å; W192-S212 WeakPolarHBondContact O-CB 3.27Å; W192-S212 PolarHBondContact O-OG 2.91Å; W192-I215 HydrophobicContact CB-CG2 4.33Å; W192-I215 HydrophobicContact CD2-CG2 4.22Å; W192-I215 HydrophobicContact CG-CB 4.33Å; W192-I215 HydrophobicContact CG-CG2 3.76Å; W192-E219 HydrophobicContact CZ2-CG 4.31Å; W192-E219 WeakPolarHBondContact CZ2-OE1 3.27Å; W192-E219 PolarHBondContact NE1-OE2 2.92Å; W192-A225 HydrophobicContact CD2-CB 4.14Å; W192-A225 HydrophobicContact CE3-CB 4.27Å; W192-A225 HydrophobicContact CH2-CB 3.82Å; W192-A225 HydrophobicContact CZ2-CB 3.69Å; W192-A225 HydrophobicContact CZ3-CB 4.1Å |
| 193 | M | 81 | Confident | 61.5 | Low | 13 Ų | 13 | 62.7 Ų | 62.7 | 6% | 0.064 | 32% | 0.323 | C | S | . | . | trans | -79.9 | 145.4 | -173 | -66.7 | 174.8 | 70.6 | 0 | 0 | 111.7 | F186 P190 V197 M198 W211 | F186-M193 HydrophobicContact CE1-CE 3.9Å; F186-M193 HydrophobicContact CE1-SD 3.45Å; F186-M193 WeakPolarHBondContact CE1-SD 3.49Å; F186-M193 HydrophobicContact CE2-CE 4.22Å; F186-M193 HydrophobicContact CZ-CE 3.43Å; F186-M193 VanDerWaalsContact CZ-CE 3.43Å; F186-M193 HydrophobicContact CZ-SD 3.51Å; F186-M193 VanDerWaalsContact CZ-SD 3.51Å; P190-M193 PolarHBondContact O-N 2.89Å; P190-M193 VanDerWaalsContact O-N 3.09Å; M193-V197 HydrophobicContact CE-CG1 3.6Å; M193-M198 HydrophobicContact CB-CE 4Å; M193-W211 PolarHBondContact O-NE1 2.91Å | ||
| 194 | A | 79.1 | Confident | 63.9 | Low | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.008 | 31% | 0.312 | C | S | . | . | trans | -82.7 | 151.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E196 V197 M198 A208 W211 | A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 VanDerWaalsContact CB-OE1 3.24Å; A194-E196 WeakPolarHBondContact CB-OE1 3.34Å; A194-E196 WeakPolarHBondContact CB-OE2 3.46Å; A194-E196 PolarHBondContact O-N 2.92Å; A194-V197 HydrophobicContact CB-CG2 3.96Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 3.05Å; A194-M198 PolarHBondContact O-N 2.87Å; A194-A208 HydrophobicContact CB-CB 4.24Å; A194-W211 VanDerWaalsContact CA-CD1 3.47Å; A194-W211 HydrophobicContact CB-CB 3.72Å; A194-W211 HydrophobicContact CB-CD2 4.35Å; A194-W211 HydrophobicContact CB-CG 3.69Å | ||
| 195 | P | 81 | Confident | 66.6 | Low | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -35.6 | -174.9 | 23 | -34 | 0 | 0 | 0 | 113.7 | V197 M198 E199 W211 L240 K274 | P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 3.32Å; P195-M198 CarbonylContact O-C 3.49Å; P195-M198 WeakPolarHBondContact O-CB 3.41Å; P195-M198 PolarHBondContact O-N 2.78Å; P195-M198 VanDerWaalsContact O-N 3.15Å; P195-E199 WeakPolarHBondContact O-CG 3.29Å; P195-E199 PolarHBondContact O-N 3.33Å; P195-W211 HydrophobicContact CG-CE3 4.48Å; P195-W211 HydrophobicContact CG-CZ3 4.31Å; P195-L240 HydrophobicContact CB-CD2 3.8Å; P195-K274 HydrophobicContact CB-CD 4.23Å; P195-K274 HydrophobicContact CG-CB 4.43Å; P195-K274 HydrophobicContact CG-CD 3.88Å |
| 196 | E | 80.1 | Confident | 69.2 | Low | 28 Ų | 28 | 54 Ų | 54 | 13% | 0.131 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -68.5 | -31 | 175.9 | 71.8 | -73.8 | -179 | 0 | 0 | 112.9 | A194 M198 Q200 R279 | A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 VanDerWaalsContact CB-OE1 3.24Å; A194-E196 WeakPolarHBondContact CB-OE1 3.34Å; A194-E196 WeakPolarHBondContact CB-OE2 3.46Å; A194-E196 PolarHBondContact O-N 2.92Å; E196-M198 VanDerWaalsContact C-N 3.31Å; E196-Q200 PolarHBondContact O-N 3.06Å; E196-R279 IonicContact OE1-CZ 3.78Å; E196-R279 IonicContact OE1-NH1 3.78Å; E196-R279 PolarHBondContact OE1-NH1 2.95Å; E196-R279 IonicContact OE1-NH2 2.59Å; E196-R279 IonicContact OE2-CZ 2.81Å; E196-R279 IonicContact OE2-NH1 2.77Å; E196-R279 PolarHBondContact OE2-NH1 3.43Å; E196-R279 IonicContact OE2-NH2 2.65Å; E196-R279 PolarHBondContact OE2-NH2 3.31Å |
| 197 | V | 73.7 | Confident | 72 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 7% | 0.073 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -69 | -35.6 | 171.9 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | M193 A194 P195 Y204 A208 | M193-V197 HydrophobicContact CE-CG1 3.6Å; A194-V197 HydrophobicContact CB-CG2 3.96Å; A194-V197 WeakPolarHBondContact O-CB 3.49Å; A194-V197 PolarHBondContact O-N 3.05Å; P195-V197 VanDerWaalsContact C-N 3.33Å; P195-V197 PolarHBondContact O-N 3.32Å; V197-Y204 HydrophobicContact CB-CD1 4.22Å; V197-Y204 HydrophobicContact CB-CG 4.49Å; V197-Y204 HydrophobicContact CG1-CD1 3.97Å; V197-Y204 HydrophobicContact CG1-CE1 3.86Å; V197-Y204 HydrophobicContact CG2-CD1 3.84Å; V197-Y204 HydrophobicContact CG2-CD2 3.95Å; V197-Y204 HydrophobicContact CG2-CE1 4.32Å; V197-Y204 HydrophobicContact CG2-CE2 4.41Å; V197-Y204 HydrophobicContact CG2-CG 3.64Å; V197-A208 HydrophobicContact CG2-CB 3.7Å |
| 198 | M | 72.4 | Confident | 74.5 | Confident | 12 Ų | 12 | 49.7 Ų | 49.7 | 6% | 0.059 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -73.4 | -33.3 | 177.1 | -73.5 | -179.8 | 178 | 0 | 0 | 113.5 | F186 P190 M193 A194 P195 E196 L236 T239 L240 | F186-M198 HydrophobicContact CE2-CG 4.35Å; F186-M198 HydrophobicContact CZ-CG 4.2Å; P190-M198 HydrophobicContact CB-CE 4.49Å; P190-M198 WeakPolarHBondContact O-CE 3.33Å; M193-M198 HydrophobicContact CB-CE 4Å; A194-M198 PolarHBondContact O-N 2.87Å; P195-M198 CarbonylContact O-C 3.49Å; P195-M198 WeakPolarHBondContact O-CB 3.41Å; P195-M198 PolarHBondContact O-N 2.78Å; P195-M198 VanDerWaalsContact O-N 3.15Å; E196-M198 VanDerWaalsContact C-N 3.31Å; M198-L236 HydrophobicContact CB-CD1 3.49Å; M198-L236 VanDerWaalsContact CB-CD1 3.49Å; M198-L236 HydrophobicContact CG-CD1 3.63Å; M198-L236 HydrophobicContact SD-CD1 3.69Å; M198-T239 HydrophobicContact CE-CG2 3.86Å; M198-T239 HydrophobicContact SD-CG2 3.63Å; M198-L240 HydrophobicContact CB-CD1 4.45Å; M198-L240 HydrophobicContact CB-CD2 3.95Å; M198-L240 HydrophobicContact CB-CG 4.37Å; M198-L240 HydrophobicContact SD-CG 4.46Å |
| 199 | E | 69.7 | Low | 76.8 | Confident | 115 Ų | 115 | 48.4 Ų | 48.4 | 54% | 0.537 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -75.5 | -28.2 | -178.4 | -79.2 | 175.3 | -165.7 | 0 | 0 | 113.6 | P195 V201 L240 | P195-E199 WeakPolarHBondContact O-CG 3.29Å; P195-E199 PolarHBondContact O-N 3.33Å; E199-V201 HydrophobicContact CB-CG2 4.45Å; E199-V201 WeakPolarHBondContact O-CG2 3.49Å; E199-V201 PolarHBondContact O-N 2.95Å; E199-L240 HydrophobicContact CG-CD2 3.77Å |
| 200 | Q | 66.2 | Low | 78.5 | Confident | 113 Ų | 113 | 46 Ų | 46 | 53% | 0.528 | 24% | 0.235 | S | C | . | . | trans | 59.2 | -4.2 | 177 | -56.6 | -176.6 | -14.3 | 0 | 0 | 116.8 | I177 E196 R202 | I177-Q200 HydrophobicContact CG2-CG 4.34Å; E196-Q200 PolarHBondContact O-N 3.06Å; Q200-R202 PolarHBondContact O-N 3.07Å | ||
| 201 | V | 52.7 | Low | 79.7 | Confident | 121 Ų | 121 | 45.6 Ų | 45.6 | 73% | 0.733 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -63.9 | -27.9 | -177.2 | -173.5 | 0 | 0 | 0 | 0 | 112.8 | E199 | E199-V201 HydrophobicContact CB-CG2 4.45Å; E199-V201 WeakPolarHBondContact O-CG2 3.49Å; E199-V201 PolarHBondContact O-N 2.95Å |
| 202 | R | 54.3 | Low | 80.4 | Confident | 216 Ų | 216 | 45.1 Ų | 45.1 | 82% | 0.815 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -141.6 | 153.3 | 175.6 | -61.9 | -176.5 | -179.2 | -179.3 | 0.4 | 108.6 | Q200 | Q200-R202 PolarHBondContact O-N 3.07Š|
| 203 | G | 65 | Low | 81 | Confident | 69 Ų | 69 | 44 Ų | 44 | 71% | 0.711 | 22% | 0.224 | S | C | * | . | trans | -61.6 | 146.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 204 | Y | 78.3 | Confident | 81.8 | Confident | 56 Ų | 56 | 43.3 Ų | 43.3 | 22% | 0.22 | 22% | 0.221 | C | C | . | . | trans | -93.8 | 162 | 177.9 | 63.9 | -91.1 | 0 | 0 | 0 | 111.6 | I143 R145 V197 A208 | I143-Y204 HydrophobicContact CD1-CD2 4.29Å; I143-Y204 HydrophobicContact CD1-CE2 4.23Å; I143-Y204 HydrophobicContact CG2-CE2 4.08Å; R145-Y204 VanDerWaalsContact CD-OH 3.29Å; R145-Y204 WeakPolarHBondContact CD-OH 3.46Å; R145-Y204 HydrophobicContact CG-CE2 4.31Å; R145-Y204 WeakPolarHBondContact CG-OH 3.39Å; V197-Y204 HydrophobicContact CB-CD1 4.22Å; V197-Y204 HydrophobicContact CB-CG 4.49Å; V197-Y204 HydrophobicContact CG1-CD1 3.97Å; V197-Y204 HydrophobicContact CG1-CE1 3.86Å; V197-Y204 HydrophobicContact CG2-CD1 3.84Å; V197-Y204 HydrophobicContact CG2-CD2 3.95Å; V197-Y204 HydrophobicContact CG2-CE1 4.32Å; V197-Y204 HydrophobicContact CG2-CE2 4.41Å; V197-Y204 HydrophobicContact CG2-CG 3.64Å; Y204-A208 HydrophobicContact CD2-CB 3.67Å; Y204-A208 HydrophobicContact CE2-CB 4.25Å; Y204-A208 HydrophobicContact CG-CB 4.41Å | ||
| 205 | D | 84.1 | Confident | 82.7 | Confident | 67 Ų | 67 | 43.4 Ų | 43.4 | 36% | 0.358 | 22% | 0.222 | S | C | . | . | trans | -115.5 | -169.7 | 177.1 | 77.1 | -8 | 0 | 0 | 0 | 111.8 | K207 A208 | D205-K207 PolarHBondContact O-N 3.21Å; D205-K207 VanDerWaalsContact O-N 3.1Å; D205-K207 WeakPolarHBondContact OD1-CB 3.48Å; D205-K207 VanDerWaalsContact OD1-CG 3.25Å; D205-K207 WeakPolarHBondContact OD1-CG 3.29Å; D205-K207 PolarHBondContact OD1-N 3.42Å; D205-A208 WeakPolarHBondContact O-CB 3.2Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 VanDerWaalsContact O-N 3.12Å | ||
| 206 | F | 90.5 | Very high | 83.5 | Confident | 64 Ų | 64 | 43.2 Ų | 43.2 | 28% | 0.281 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -11.9 | 179.8 | 68.6 | -92 | 0 | 0 | 0 | 114.6 | H138 I143 A208 D209 T281 | H138-F206 HydrophobicContact CB-CB 4.24Å; H138-F206 HydrophobicContact CB-CD2 4.03Å; H138-F206 HydrophobicContact CB-CG 4.16Å; H138-F206 AromaticContact CE1-CD2 3.98Å; H138-F206 PolarHBondContact CE1-O 3.44Å; H138-F206 AromaticContact CG-CD2 3.75Å; H138-F206 AromaticContact CG-CG 3.97Å; H138-F206 AromaticContact ND1-CD2 3.44Å; H138-F206 WeakPolarHBondContact ND1-CD2 3.39Å; I143-F206 HydrophobicContact CG1-CB 4.25Å; F206-A208 PolarHBondContact O-N 3.45Å; F206-D209 PolarHBondContact O-N 2.82Å; F206-T281 HydrophobicContact CE2-CG2 4.14Å; F206-T281 HydrophobicContact CZ-CG2 4.45Å |
| 207 | K | 94.6 | Very high | 84.4 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 10% | 0.096 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.2 | -16.1 | 173.3 | -55.8 | -66.3 | -161 | 76.4 | 0 | 112.2 | D205 I210 W211 P276 E277 R279 | D205-K207 PolarHBondContact O-N 3.21Å; D205-K207 VanDerWaalsContact O-N 3.1Å; D205-K207 WeakPolarHBondContact OD1-CB 3.48Å; D205-K207 VanDerWaalsContact OD1-CG 3.25Å; D205-K207 WeakPolarHBondContact OD1-CG 3.29Å; D205-K207 PolarHBondContact OD1-N 3.42Å; K207-I210 WeakPolarHBondContact O-CB 3.4Å; K207-I210 PolarHBondContact O-N 2.89Å; K207-W211 PolarHBondContact O-N 2.87Å; K207-P276 HydrophobicContact CB-CB 3.8Å; K207-P276 HydrophobicContact CG-CB 4.36Å; K207-P276 WeakPolarHBondContact CG-O 3.45Å; K207-P276 PolarHBondContact NZ-O 2.93Å; K207-E277 PolarHBondContact NZ-O 2.63Å; K207-R279 HydrophobicContact CD-CB 4.35Å; K207-R279 WeakPolarHBondContact CE-O 3.37Å; K207-R279 PolarHBondContact NZ-O 3.06Å; K207-R279 WeakPolarHBondContact O-CD 3.47Å; K207-R279 PolarHBondContact O-NH1 2.81Å |
| 208 | A | 91.7 | Very high | 85.6 | Confident | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.033 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A194 V197 Y204 D205 F206 I210 W211 S212 | A194-A208 HydrophobicContact CB-CB 4.24Å; V197-A208 HydrophobicContact CG2-CB 3.7Å; Y204-A208 HydrophobicContact CD2-CB 3.67Å; Y204-A208 HydrophobicContact CE2-CB 4.25Å; Y204-A208 HydrophobicContact CG-CB 4.41Å; D205-A208 WeakPolarHBondContact O-CB 3.2Å; D205-A208 PolarHBondContact O-N 3.45Å; D205-A208 VanDerWaalsContact O-N 3.12Å; F206-A208 PolarHBondContact O-N 3.45Å; A208-I210 PolarHBondContact O-N 3.36Å; A208-W211 WeakPolarHBondContact O-CB 3.37Å; A208-W211 PolarHBondContact O-N 2.84Å; A208-S212 PolarHBondContact O-N 3.47Å; A208-S212 PolarHBondContact O-OG 2.96Å |
| 209 | D | 95 | Very high | 86.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -32.2 | 177.2 | -66.3 | -23.9 | 0 | 0 | 0 | 112.2 | L134 H138 I143 H144 R145 V147 F206 W211 S212 F213 | L134-D209 HydrophobicContact CD2-CB 4.13Å; H138-D209 IonicContact CD2-OD2 3.51Å; H138-D209 IonicContact CE1-OD2 2.71Å; H138-D209 IonicContact NE2-OD2 3.86Å; H138-D209 PolarHBondContact NE2-OD2 3.08Å; I143-D209 WeakPolarHBondContact CG2-OD1 3.28Å; I143-D209 WeakPolarHBondContact CG2-OD2 3.49Å; H144-D209 PolarHBondContact N-OD1 2.98Å; H144-D209 PolarHBondContact N-OD2 2.72Å; R145-D209 PolarHBondContact N-OD1 3.15Å; V147-D209 HydrophobicContact CG2-CB 4.16Å; F206-D209 PolarHBondContact O-N 2.82Å; D209-W211 VanDerWaalsContact C-N 3.35Å; D209-S212 PolarHBondContact O-N 3.4Å; D209-F213 WeakPolarHBondContact O-CB 3.44Å; D209-F213 PolarHBondContact O-N 2.93Å |
| 210 | I | 98.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 178.2 | -56.5 | -61.2 | 0 | 0 | 0 | 111.1 | K207 A208 G214 C271 R279 P280 A282 L285 | K207-I210 WeakPolarHBondContact O-CB 3.4Å; K207-I210 PolarHBondContact O-N 2.89Å; A208-I210 PolarHBondContact O-N 3.36Å; I210-G214 PolarHBondContact O-N 2.93Å; I210-C271 HydrophobicContact CG2-CB 4.25Å; I210-C271 WeakPolarHBondContact O-CB 3.31Å; I210-R279 HydrophobicContact CG2-CB 4.08Å; I210-P280 WeakPolarHBondContact CG2-O 3.46Å; I210-A282 HydrophobicContact CD1-CB 4.36Å; I210-L285 HydrophobicContact CD1-CD1 4.2Å; I210-L285 HydrophobicContact CG2-CD1 3.95Å |
| 211 | W | 97.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -48 | 170.8 | 172.9 | -77.5 | 0 | 0 | 0 | 110.8 | M193 A194 P195 K207 A208 D209 F213 G214 I215 T239 P244 L272 K274 | M193-W211 PolarHBondContact O-NE1 2.91Å; A194-W211 VanDerWaalsContact CA-CD1 3.47Å; A194-W211 HydrophobicContact CB-CB 3.72Å; A194-W211 HydrophobicContact CB-CD2 4.35Å; A194-W211 HydrophobicContact CB-CG 3.69Å; P195-W211 HydrophobicContact CG-CE3 4.48Å; P195-W211 HydrophobicContact CG-CZ3 4.31Å; K207-W211 PolarHBondContact O-N 2.87Å; A208-W211 WeakPolarHBondContact O-CB 3.37Å; A208-W211 PolarHBondContact O-N 2.84Å; D209-W211 VanDerWaalsContact C-N 3.35Å; W211-F213 VanDerWaalsContact C-N 3.28Å; W211-F213 PolarHBondContact O-N 2.83Å; W211-G214 CarbonylContact O-C 3.59Å; W211-G214 WeakPolarHBondContact O-CA 3.48Å; W211-G214 PolarHBondContact O-N 3.12Å; W211-I215 PolarHBondContact O-N 3.32Å; W211-T239 HydrophobicContact CH2-CG2 4.46Å; W211-T239 HydrophobicContact CZ2-CG2 3.77Å; W211-P244 HydrophobicContact CH2-CB 4.03Å; W211-P244 HydrophobicContact CZ3-CB 4.11Å; W211-P244 HydrophobicContact CZ3-CG 4.45Å; W211-L272 HydrophobicContact CD2-CD2 3.63Å; W211-L272 HydrophobicContact CE3-CB 4.39Å; W211-L272 HydrophobicContact CE3-CD2 3.9Å; W211-L272 HydrophobicContact CG-CD2 3.95Å; W211-L272 HydrophobicContact CZ2-CD2 4.31Å; W211-L272 HydrophobicContact CZ3-CB 4.26Å; W211-L272 HydrophobicContact CZ3-CD2 4.34Å; W211-L272 WeakPolarHBondContact O-CD2 3.41Å; W211-K274 HydrophobicContact CH2-CD 4.15Å; W211-K274 HydrophobicContact CZ3-CD 4.23Å |
| 212 | S | 96.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 3% | 0.028 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.4 | -37.7 | 177.9 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | W192 A208 D209 I215 T216 | W192-S212 VanDerWaalsContact O-CA 3.29Å; W192-S212 WeakPolarHBondContact O-CA 3.44Å; W192-S212 WeakPolarHBondContact O-CB 3.27Å; W192-S212 PolarHBondContact O-OG 2.91Å; A208-S212 PolarHBondContact O-N 3.47Å; A208-S212 PolarHBondContact O-OG 2.96Å; D209-S212 PolarHBondContact O-N 3.4Å; S212-I215 PolarHBondContact O-N 2.75Å; S212-T216 WeakPolarHBondContact O-CB 3.33Å; S212-T216 PolarHBondContact O-N 2.79Å; S212-T216 PolarHBondContact O-OG1 3.46Å |
| 213 | F | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.7 | -39.8 | 169.7 | 173.9 | -93.4 | 0 | 0 | 0 | 112.4 | L127 V130 L131 L134 V147 D209 W211 T216 A217 M267 L285 F291 | L127-F213 HydrophobicContact CB-CE2 3.83Å; L127-F213 HydrophobicContact CB-CZ 3.85Å; L127-F213 HydrophobicContact CD1-CE2 4.38Å; L127-F213 HydrophobicContact CD1-CZ 4.17Å; L127-F213 HydrophobicContact CD2-CD2 4.35Å; L127-F213 HydrophobicContact CD2-CE2 3.79Å; L127-F213 HydrophobicContact CD2-CZ 4.4Å; L127-F213 HydrophobicContact CG-CE2 4.2Å; L127-F213 HydrophobicContact CG-CZ 4.37Å; V130-F213 HydrophobicContact CB-CE2 4.35Å; V130-F213 HydrophobicContact CG1-CD2 3.88Å; V130-F213 HydrophobicContact CG1-CE2 4.1Å; L131-F213 HydrophobicContact CD1-CE1 4.16Å; L131-F213 HydrophobicContact CD1-CE2 4.25Å; L131-F213 HydrophobicContact CD1-CZ 3.6Å; L131-F213 HydrophobicContact CD2-CD1 4.2Å; L131-F213 HydrophobicContact CD2-CD2 4.11Å; L131-F213 HydrophobicContact CD2-CE1 3.87Å; L131-F213 HydrophobicContact CD2-CE2 3.76Å; L131-F213 HydrophobicContact CD2-CG 4.32Å; L131-F213 HydrophobicContact CD2-CZ 3.64Å; L131-F213 HydrophobicContact CG-CD2 4.39Å; L131-F213 HydrophobicContact CG-CE1 4.15Å; L131-F213 HydrophobicContact CG-CE2 3.59Å; L131-F213 HydrophobicContact CG-CZ 3.45Å; L131-F213 VanDerWaalsContact CG-CZ 3.45Å; L134-F213 HydrophobicContact CD1-CB 4.32Å; L134-F213 HydrophobicContact CD1-CD2 4.26Å; V147-F213 HydrophobicContact CG1-CB 4.5Å; D209-F213 WeakPolarHBondContact O-CB 3.44Å; D209-F213 PolarHBondContact O-N 2.93Å; W211-F213 VanDerWaalsContact C-N 3.28Å; W211-F213 PolarHBondContact O-N 2.83Å; F213-T216 PolarHBondContact O-N 2.87Å; F213-A217 PolarHBondContact O-N 2.87Å; F213-M267 HydrophobicContact CE1-CE 4.38Å; F213-M267 HydrophobicContact CE1-SD 3.79Å; F213-L285 HydrophobicContact CD1-CD1 4.15Å; F213-L285 HydrophobicContact CE1-CD1 4.07Å; F213-F291 HydrophobicContact CE1-CZ 4.49Å; F213-F291 HydrophobicContact CZ-CZ 4.04Å |
| 214 | G | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -39.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | I210 W211 I218 | I210-G214 PolarHBondContact O-N 2.93Å; W211-G214 CarbonylContact O-C 3.59Å; W211-G214 WeakPolarHBondContact O-CA 3.48Å; W211-G214 PolarHBondContact O-N 3.12Å; G214-I218 PolarHBondContact O-N 2.83Å |
| 215 | I | 98.1 | Very high | 95.7 | Very high | 3 Ų | 3 | 10.7 Ų | 10.7 | 2% | 0.015 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | 172.3 | -60.1 | -60.2 | 0 | 0 | 0 | 110.9 | C191 W192 W211 S212 A217 I218 E219 A225 P226 P245 L272 | C191-I215 WeakPolarHBondContact O-CG2 3.2Å; W192-I215 HydrophobicContact CB-CG2 4.33Å; W192-I215 HydrophobicContact CD2-CG2 4.22Å; W192-I215 HydrophobicContact CG-CB 4.33Å; W192-I215 HydrophobicContact CG-CG2 3.76Å; W211-I215 PolarHBondContact O-N 3.32Å; S212-I215 PolarHBondContact O-N 2.75Å; I215-A217 PolarHBondContact O-N 3.16Å; I215-I218 WeakPolarHBondContact O-CA 3.22Å; I215-I218 WeakPolarHBondContact O-CB 3.32Å; I215-I218 PolarHBondContact O-N 2.81Å; I215-E219 PolarHBondContact O-N 3Å; I215-A225 HydrophobicContact CG2-CB 3.66Å; I215-P226 HydrophobicContact CD1-CG 4.03Å; I215-P245 HydrophobicContact CD1-CG 3.9Å; I215-L272 HydrophobicContact CD1-CD1 4.06Å; I215-L272 HydrophobicContact CD1-CD2 3.75Å; I215-L272 HydrophobicContact CG1-CD2 3.97Å |
| 216 | T | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -59.6 | -36.4 | 177 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | L127 V147 K148 I152 S212 F213 I218 E219 L220 | L127-T216 HydrophobicContact CD2-CG2 4.48Å; V147-T216 PolarHBondContact O-OG1 2.84Å; V147-T216 VanDerWaalsContact O-OG1 3.08Å; K148-T216 WeakPolarHBondContact CA-OG1 3.35Å; I152-T216 HydrophobicContact CD1-CG2 3.64Å; S212-T216 WeakPolarHBondContact O-CB 3.33Å; S212-T216 PolarHBondContact O-N 2.79Å; S212-T216 PolarHBondContact O-OG1 3.46Å; F213-T216 PolarHBondContact O-N 2.87Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 3.03Å; T216-E219 WeakPolarHBondContact O-CB 3.29Å; T216-E219 PolarHBondContact O-N 2.85Å; T216-L220 HydrophobicContact CG2-CD1 3.71Å; T216-L220 WeakPolarHBondContact O-CD1 3.4Å; T216-L220 PolarHBondContact O-N 3.41Å |
| 217 | A | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | L127 F213 I215 F264 M267 I268 | L127-A217 HydrophobicContact CD1-CB 3.69Å; F213-A217 PolarHBondContact O-N 2.87Å; I215-A217 PolarHBondContact O-N 3.16Å; A217-F264 HydrophobicContact CB-CE2 4.11Å; A217-F264 HydrophobicContact CB-CZ 4.25Å; A217-F264 VanDerWaalsContact O-CZ 3.29Å; A217-F264 WeakPolarHBondContact O-CZ 3.41Å; A217-M267 HydrophobicContact CB-CE 3.83Å; A217-I268 HydrophobicContact CB-CD1 4.48Å; A217-I268 HydrophobicContact CB-CG1 4.05Å |
| 218 | I | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -66.1 | -49.6 | 172.1 | -63.7 | 170.7 | 0 | 0 | 0 | 109.7 | G214 I215 T216 L220 A221 T222 P226 L247 I268 L272 | G214-I218 PolarHBondContact O-N 2.83Å; I215-I218 WeakPolarHBondContact O-CA 3.22Å; I215-I218 WeakPolarHBondContact O-CB 3.32Å; I215-I218 PolarHBondContact O-N 2.81Å; T216-I218 VanDerWaalsContact C-N 3.34Å; T216-I218 PolarHBondContact O-N 3.03Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 2.55Å; I218-A221 CarbonylContact O-C 3.52Å; I218-A221 WeakPolarHBondContact O-CA 3.42Å; I218-A221 WeakPolarHBondContact O-CB 3.46Å; I218-A221 PolarHBondContact O-N 3.17Å; I218-T222 HydrophobicContact CG2-CG2 3.69Å; I218-T222 PolarHBondContact O-N 2.92Å; I218-T222 PolarHBondContact O-OG1 3.11Å; I218-P226 HydrophobicContact CB-CG 4.47Å; I218-P226 HydrophobicContact CD1-CG 3.71Å; I218-P226 HydrophobicContact CG2-CG 4.1Å; I218-L247 HydrophobicContact CB-CD1 4.49Å; I218-L247 HydrophobicContact CG1-CD1 4.34Å; I218-L247 HydrophobicContact CG2-CD1 4.24Å; I218-I268 HydrophobicContact CD1-CG2 3.98Å; I218-I268 HydrophobicContact CG1-CD1 4.06Å; I218-I268 HydrophobicContact CG1-CG2 4.05Å; I218-L272 HydrophobicContact CD1-CD1 3.67Å |
| 219 | E | 97.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 10.4 Ų | 10.4 | 2% | 0.023 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -51.3 | -45.3 | 178.4 | -179.5 | -171.3 | -168.6 | 0 | 0 | 113 | I104 A149 W192 I215 T216 A221 G223 | I104-E219 HydrophobicContact CD1-CG 4.2Å; A149-E219 HydrophobicContact CB-CG 4.05Å; A149-E219 WeakPolarHBondContact CB-OE1 3.09Å; A149-E219 WeakPolarHBondContact CB-OE2 3.41Å; A149-E219 PolarHBondContact N-OE1 3.23Å; A149-E219 PolarHBondContact N-OE2 3.36Å; W192-E219 HydrophobicContact CZ2-CG 4.31Å; W192-E219 WeakPolarHBondContact CZ2-OE1 3.27Å; W192-E219 PolarHBondContact NE1-OE2 2.92Å; I215-E219 PolarHBondContact O-N 3Å; T216-E219 WeakPolarHBondContact O-CB 3.29Å; T216-E219 PolarHBondContact O-N 2.85Å; E219-A221 PolarHBondContact O-N 3.49Å; E219-G223 CarbonylContact O-C 3.58Å; E219-G223 WeakPolarHBondContact O-CA 3.4Å; E219-G223 PolarHBondContact O-N 3.15Å |
| 220 | L | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -64.7 | -20.2 | 176.7 | -93.8 | 74.7 | 0 | 0 | 0 | 114.2 | V100 L118 I123 I126 L127 A149 T216 I218 | V100-L220 HydrophobicContact CG1-CD1 3.96Å; V100-L220 HydrophobicContact CG1-CD2 4.16Å; V100-L220 HydrophobicContact CG1-CG 3.84Å; L118-L220 WeakPolarHBondContact CB-O 3.29Å; L118-L220 HydrophobicContact CD1-CB 4.26Å; L118-L220 HydrophobicContact CD1-CD2 4.06Å; L118-L220 HydrophobicContact CD1-CG 3.98Å; L118-L220 PolarHBondContact N-O 2.89Å; I123-L220 HydrophobicContact CD1-CB 4.27Å; I123-L220 HydrophobicContact CG1-CB 4.14Å; I123-L220 HydrophobicContact CG1-CD2 4.45Å; I123-L220 HydrophobicContact CG2-CB 4.45Å; I123-L220 HydrophobicContact CG2-CD2 4.3Å; I126-L220 HydrophobicContact CB-CD2 4.28Å; I126-L220 HydrophobicContact CD1-CD2 4.16Å; I126-L220 HydrophobicContact CG2-CD2 4.07Å; L127-L220 HydrophobicContact CD2-CD2 4.1Å; L127-L220 HydrophobicContact CG-CD2 4.2Å; A149-L220 HydrophobicContact CB-CD1 3.78Å; T216-L220 HydrophobicContact CG2-CD1 3.71Å; T216-L220 WeakPolarHBondContact O-CD1 3.4Å; T216-L220 PolarHBondContact O-N 3.41Å; I218-L220 VanDerWaalsContact C-N 3.33Å; I218-L220 PolarHBondContact O-N 2.55Å |
| 221 | A | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -100.6 | -38.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G116 V117 I123 I218 E219 L247 Y260 F264 | G116-A221 CarbonylContact C-O 3.56Å; G116-A221 WeakPolarHBondContact CA-O 3.48Å; V117-A221 PolarHBondContact N-O 3.49Å; I123-A221 HydrophobicContact CD1-CB 3.94Å; I218-A221 CarbonylContact O-C 3.52Å; I218-A221 WeakPolarHBondContact O-CA 3.42Å; I218-A221 WeakPolarHBondContact O-CB 3.46Å; I218-A221 PolarHBondContact O-N 3.17Å; E219-A221 PolarHBondContact O-N 3.49Å; A221-L247 HydrophobicContact CB-CD1 3.74Å; A221-Y260 WeakPolarHBondContact CA-OH 3.24Å; A221-Y260 HydrophobicContact CB-CD1 4.45Å; A221-Y260 HydrophobicContact CB-CD2 4.46Å; A221-Y260 HydrophobicContact CB-CE1 3.85Å; A221-Y260 HydrophobicContact CB-CE2 3.87Å; A221-Y260 PolarHBondContact O-OH 3.43Å; A221-Y260 VanDerWaalsContact O-OH 3.13Å; A221-F264 HydrophobicContact CB-CE1 3.86Å; A221-F264 HydrophobicContact CB-CZ 4.2Å |
| 222 | T | 95.9 | Very high | 92.2 | Very high | 21 Ų | 21 | 18.7 Ų | 18.7 | 13% | 0.129 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -96.5 | -23.9 | -177.4 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | I218 A224 L247 V251 M256 L257 | I218-T222 HydrophobicContact CG2-CG2 3.69Å; I218-T222 PolarHBondContact O-N 2.92Å; I218-T222 PolarHBondContact O-OG1 3.11Å; T222-A224 PolarHBondContact OG1-N 3.18Å; T222-A224 PolarHBondContact OG1-O 2.92Å; T222-L247 HydrophobicContact CG2-CD1 4.03Å; T222-V251 HydrophobicContact CG2-CG2 3.55Å; T222-M256 WeakPolarHBondContact O-CE 3.36Å; T222-L257 HydrophobicContact CG2-CD2 4.25Å |
| 223 | G | 94.4 | Very high | 90.9 | Very high | 15 Ų | 15 | 24.4 Ų | 24.4 | 16% | 0.155 | 13% | 0.125 | C | C | . | . | S | Bend | trans | 91.9 | -6.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115 | I104 E219 | I104-G223 WeakPolarHBondContact CG2-O 3.43Å; E219-G223 CarbonylContact O-C 3.58Å; E219-G223 WeakPolarHBondContact O-CA 3.4Å; E219-G223 PolarHBondContact O-N 3.15Å |
| 224 | A | 93.3 | Very high | 89.9 | Confident | 17 Ų | 17 | 29.2 Ų | 29.2 | 14% | 0.14 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -159.3 | 152.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T222 H228 | T222-A224 PolarHBondContact OG1-N 3.18Å; T222-A224 PolarHBondContact OG1-O 2.92Å; A224-H228 HydrophobicContact CB-CB 4.1Å |
| 225 | A | 93.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | trans | -60.7 | 151.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C191 W192 I215 Y227 H228 | C191-A225 HydrophobicContact CB-CB 3.59Å; W192-A225 HydrophobicContact CD2-CB 4.14Å; W192-A225 HydrophobicContact CE3-CB 4.27Å; W192-A225 HydrophobicContact CH2-CB 3.82Å; W192-A225 HydrophobicContact CZ2-CB 3.69Å; W192-A225 HydrophobicContact CZ3-CB 4.1Å; I215-A225 HydrophobicContact CG2-CB 3.66Å; A225-Y227 PolarHBondContact O-N 3.11Å; A225-H228 PolarHBondContact O-N 3.01Å; A225-H228 VanDerWaalsContact O-N 3.12Å; A225-H228 PolarHBondContact O-ND1 2.85Å | ||
| 226 | P | 94.4 | Very high | 87.8 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -30.1 | -170 | -31.5 | 35.9 | 0 | 0 | 0 | 117.2 | I215 I218 P245 T249 G250 | I215-P226 HydrophobicContact CD1-CG 4.03Å; I218-P226 HydrophobicContact CB-CG 4.47Å; I218-P226 HydrophobicContact CD1-CG 3.71Å; I218-P226 HydrophobicContact CG2-CG 4.1Å; P226-P245 HydrophobicContact CB-CB 3.64Å; P226-P245 HydrophobicContact CB-CG 4.18Å; P226-P245 HydrophobicContact CG-CB 3.72Å; P226-P245 HydrophobicContact CG-CG 3.96Å; P226-T249 WeakPolarHBondContact CA-O 3.46Å; P226-T249 HydrophobicContact CB-CG2 3.84Å; P226-G250 WeakPolarHBondContact O-CA 3.33Å |
| 227 | Y | 90 | Very high | 86.8 | Confident | 20 Ų | 20 | 34.9 Ų | 34.9 | 8% | 0.078 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.5 | 16.7 | -173.5 | -60.2 | -42.7 | 0 | 0 | 0 | 114.2 | A225 K229 Y230 V235 L238 P245 T249 | A225-Y227 PolarHBondContact O-N 3.11Å; Y227-K229 PolarHBondContact O-N 2.93Å; Y227-Y230 HydrophobicContact CD1-CD2 4.24Å; Y227-Y230 HydrophobicContact CD1-CE2 4.23Å; Y227-Y230 PolarHBondContact O-N 2.93Å; Y227-V235 HydrophobicContact CD2-CG1 4.43Å; Y227-L238 HydrophobicContact CD1-CD1 4.12Å; Y227-L238 HydrophobicContact CD2-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CD1 4.4Å; Y227-L238 HydrophobicContact CE2-CB 4.08Å; Y227-L238 HydrophobicContact CG-CD1 4.42Å; Y227-P245 HydrophobicContact CE2-CB 4.46Å; Y227-P245 HydrophobicContact CE2-CG 4.36Å; Y227-T249 HydrophobicContact CD1-CG2 4.16Å; Y227-T249 HydrophobicContact CE1-CG2 3.49Å; Y227-T249 VanDerWaalsContact CE1-CG2 3.49Å |
| 228 | H | 86.2 | Confident | 86.2 | Confident | 31 Ų | 31 | 36.6 Ų | 36.6 | 14% | 0.144 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -35.6 | -178.6 | 61.9 | -81.2 | 0 | 0 | 0 | 114.8 | A224 A225 Y230 E332 | A224-H228 HydrophobicContact CB-CB 4.1Å; A225-H228 PolarHBondContact O-N 3.01Å; A225-H228 VanDerWaalsContact O-N 3.12Å; A225-H228 PolarHBondContact O-ND1 2.85Å; H228-Y230 PolarHBondContact O-N 3.43Å; H228-Y230 VanDerWaalsContact O-N 3.11Å; H228-E332 PolarHBondContact CD2-O 2.65Å |
| 229 | K | 84.2 | Confident | 85.7 | Confident | 97 Ų | 97 | 36.9 Ų | 36.9 | 42% | 0.422 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 0.7 | -179.2 | -51.1 | -162.8 | 177.9 | -160.9 | 0 | 114.9 | Y227 | Y227-K229 PolarHBondContact O-N 2.93Š|
| 230 | Y | 80.4 | Confident | 85.1 | Confident | 101 Ų | 101 | 39.2 Ų | 39.2 | 40% | 0.396 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -117.5 | 145.2 | -174.8 | -60.4 | -52.2 | 0 | 0 | 0 | 112.7 | Y227 H228 K234 V235 L238 | Y227-Y230 HydrophobicContact CD1-CD2 4.24Å; Y227-Y230 HydrophobicContact CD1-CE2 4.23Å; Y227-Y230 PolarHBondContact O-N 2.93Å; H228-Y230 PolarHBondContact O-N 3.43Å; H228-Y230 VanDerWaalsContact O-N 3.11Å; Y230-K234 HydrophobicContact CD1-CD 3.79Å; Y230-K234 HydrophobicContact CD1-CG 4.36Å; Y230-K234 HydrophobicContact CE1-CD 4.43Å; Y230-K234 HydrophobicContact CG-CD 4.12Å; Y230-K234 HydrophobicContact CG-CG 4.18Å; Y230-V235 VanDerWaalsContact O-CG2 3.32Å; Y230-V235 WeakPolarHBondContact O-CG2 3.22Å; Y230-L238 HydrophobicContact CD2-CD1 3.27Å; Y230-L238 HydrophobicContact CE2-CD1 3.47Å; Y230-L238 VanDerWaalsContact CE2-CD1 3.47Å; Y230-L238 HydrophobicContact CG-CD1 3.97Å |
| 231 | P | 71.6 | Confident | 84.7 | Confident | 26 Ų | 26 | 45.7 Ų | 45.7 | 17% | 0.169 | 23% | 0.228 | C | C | . | . | trans | -67.3 | 156.5 | 176.2 | 29.2 | -35.2 | 0 | 0 | 0 | 111.6 | M233 K234 V235 | P231-M233 PolarHBondContact O-N 3.38Å; P231-M233 VanDerWaalsContact O-N 3.14Å; P231-K234 HydrophobicContact CG-CB 4.04Å; P231-K234 WeakPolarHBondContact O-CA 3.11Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 2.78Å; P231-V235 PolarHBondContact O-N 3.03Å | ||
| 232 | P | 72.1 | Confident | 84.4 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -46.4 | -48.4 | -171.2 | -34.7 | 37.9 | 0 | 0 | 0 | 116.1 | P190 K234 V235 L236 | P190-P232 HydrophobicContact CG-CB 3.97Å; P190-P232 HydrophobicContact CG-CG 4.36Å; P232-K234 VanDerWaalsContact C-N 3.28Å; P232-K234 PolarHBondContact O-N 3.28Å; P232-V235 WeakPolarHBondContact O-CB 3.43Å; P232-V235 PolarHBondContact O-N 3.42Å; P232-L236 WeakPolarHBondContact O-CB 3.4Å; P232-L236 PolarHBondContact O-N 2.84Å |
| 233 | M | 69.1 | Low | 84.3 | Confident | 124 Ų | 124 | 55 Ų | 55 | 61% | 0.611 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.5 | -29.7 | 179.4 | -69.8 | -58 | -62.2 | 0 | 0 | 113.5 | P231 L236 M237 | P231-M233 PolarHBondContact O-N 3.38Å; P231-M233 VanDerWaalsContact O-N 3.14Å; M233-L236 HydrophobicContact CE-CD2 3.89Å; M233-L236 HydrophobicContact SD-CD2 3.98Å; M233-M237 WeakPolarHBondContact O-CG 3.42Å; M233-M237 PolarHBondContact O-N 2.92Å; M233-M237 VanDerWaalsContact O-N 3.07Å |
| 234 | K | 76.2 | Confident | 84.4 | Confident | 101 Ų | 101 | 56.3 Ų | 56.3 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -79.3 | -34.7 | 175.6 | -175.9 | 166 | -179.9 | 168.9 | 0 | 111.6 | Y230 P231 P232 L236 M237 L238 | Y230-K234 HydrophobicContact CD1-CD 3.79Å; Y230-K234 HydrophobicContact CD1-CG 4.36Å; Y230-K234 HydrophobicContact CE1-CD 4.43Å; Y230-K234 HydrophobicContact CG-CD 4.12Å; Y230-K234 HydrophobicContact CG-CG 4.18Å; P231-K234 HydrophobicContact CG-CB 4.04Å; P231-K234 WeakPolarHBondContact O-CA 3.11Å; P231-K234 WeakPolarHBondContact O-CB 3.48Å; P231-K234 PolarHBondContact O-N 2.78Å; P232-K234 VanDerWaalsContact C-N 3.28Å; P232-K234 PolarHBondContact O-N 3.28Å; K234-L236 VanDerWaalsContact C-N 3.34Å; K234-M237 PolarHBondContact O-N 3.28Å; K234-L238 HydrophobicContact CG-CD1 3.94Å; K234-L238 HydrophobicContact CG-CG 4.25Å; K234-L238 WeakPolarHBondContact O-CB 3.16Å; K234-L238 WeakPolarHBondContact O-CD1 3.29Å; K234-L238 WeakPolarHBondContact O-CG 3.28Å; K234-L238 PolarHBondContact O-N 3.17Å |
| 235 | V | 78.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | P190 C191 Y227 Y230 P231 P232 L238 T239 | P190-V235 HydrophobicContact CB-CB 4.24Å; P190-V235 HydrophobicContact CB-CG1 3.94Å; P190-V235 HydrophobicContact CG-CB 4.35Å; P190-V235 HydrophobicContact CG-CG1 4.33Å; C191-V235 HydrophobicContact CB-CG1 4.28Å; Y227-V235 HydrophobicContact CD2-CG1 4.43Å; Y230-V235 VanDerWaalsContact O-CG2 3.32Å; Y230-V235 WeakPolarHBondContact O-CG2 3.22Å; P231-V235 PolarHBondContact O-N 3.03Å; P232-V235 WeakPolarHBondContact O-CB 3.43Å; P232-V235 PolarHBondContact O-N 3.42Å; V235-L238 PolarHBondContact O-N 3.14Å; V235-T239 VanDerWaalsContact O-CB 3.27Å; V235-T239 WeakPolarHBondContact O-CB 3.44Å; V235-T239 PolarHBondContact O-N 3.24Å; V235-T239 PolarHBondContact O-OG1 3.03Å |
| 236 | L | 74.5 | Confident | 84.8 | Confident | 26 Ų | 26 | 58 Ų | 58 | 14% | 0.136 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -54.3 | -56 | 173.4 | 171.7 | 63.5 | 0 | 0 | 0 | 111.5 | M198 P232 M233 K234 L238 T239 L240 | M198-L236 HydrophobicContact CB-CD1 3.49Å; M198-L236 VanDerWaalsContact CB-CD1 3.49Å; M198-L236 HydrophobicContact CG-CD1 3.63Å; M198-L236 HydrophobicContact SD-CD1 3.69Å; P232-L236 WeakPolarHBondContact O-CB 3.4Å; P232-L236 PolarHBondContact O-N 2.84Å; M233-L236 HydrophobicContact CE-CD2 3.89Å; M233-L236 HydrophobicContact SD-CD2 3.98Å; K234-L236 VanDerWaalsContact C-N 3.34Å; L236-L238 PolarHBondContact O-N 3.12Å; L236-T239 PolarHBondContact O-N 3.46Å; L236-L240 HydrophobicContact CD1-CD1 3.75Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4.35Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 2.84Å |
| 237 | M | 76.6 | Confident | 84.9 | Confident | 96 Ų | 96 | 58 Ų | 58 | 47% | 0.473 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -47.5 | 179.2 | -72.8 | 179.4 | 73.7 | 0 | 0 | 112.9 | M233 K234 T239 L240 Q241 | M233-M237 WeakPolarHBondContact O-CG 3.42Å; M233-M237 PolarHBondContact O-N 2.92Å; M233-M237 VanDerWaalsContact O-N 3.07Å; K234-M237 PolarHBondContact O-N 3.28Å; M237-T239 VanDerWaalsContact C-N 3.33Å; M237-T239 PolarHBondContact O-N 3.24Å; M237-L240 PolarHBondContact O-N 2.82Å; M237-Q241 VanDerWaalsContact O-CB 3.23Å; M237-Q241 WeakPolarHBondContact O-CB 3.44Å; M237-Q241 VanDerWaalsContact O-CG 3.27Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 2.59Å |
| 238 | L | 87.2 | Confident | 85.1 | Confident | 36 Ų | 36 | 60.2 Ų | 60.2 | 19% | 0.188 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -39.7 | -180 | -68.6 | 168.7 | 0 | 0 | 0 | 111.9 | Y227 Y230 K234 V235 L236 N242 | Y227-L238 HydrophobicContact CD1-CD1 4.12Å; Y227-L238 HydrophobicContact CD2-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CB 4.34Å; Y227-L238 HydrophobicContact CE1-CD1 4.4Å; Y227-L238 HydrophobicContact CE2-CB 4.08Å; Y227-L238 HydrophobicContact CG-CD1 4.42Å; Y230-L238 HydrophobicContact CD2-CD1 3.27Å; Y230-L238 HydrophobicContact CE2-CD1 3.47Å; Y230-L238 VanDerWaalsContact CE2-CD1 3.47Å; Y230-L238 HydrophobicContact CG-CD1 3.97Å; K234-L238 HydrophobicContact CG-CD1 3.94Å; K234-L238 HydrophobicContact CG-CG 4.25Å; K234-L238 WeakPolarHBondContact O-CB 3.16Å; K234-L238 WeakPolarHBondContact O-CD1 3.29Å; K234-L238 WeakPolarHBondContact O-CG 3.28Å; K234-L238 PolarHBondContact O-N 3.17Å; V235-L238 PolarHBondContact O-N 3.14Å; L236-L238 PolarHBondContact O-N 3.12Å; L238-N242 WeakPolarHBondContact CD2-ND2 3.34Å; L238-N242 VanDerWaalsContact O-CB 3.31Å; L238-N242 WeakPolarHBondContact O-CB 3.44Å; L238-N242 PolarHBondContact O-N 2.71Å; L238-N242 VanDerWaalsContact O-N 3.13Å; L238-N242 PolarHBondContact O-ND2 3.27Å |
| 239 | T | 87.7 | Confident | 85.5 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -69.7 | -35.7 | -179.6 | -56.7 | 0 | 0 | 0 | 0 | 112.1 | M198 W211 V235 L236 M237 K274 | M198-T239 HydrophobicContact CE-CG2 3.86Å; M198-T239 HydrophobicContact SD-CG2 3.63Å; W211-T239 HydrophobicContact CH2-CG2 4.46Å; W211-T239 HydrophobicContact CZ2-CG2 3.77Å; V235-T239 VanDerWaalsContact O-CB 3.27Å; V235-T239 WeakPolarHBondContact O-CB 3.44Å; V235-T239 PolarHBondContact O-N 3.24Å; V235-T239 PolarHBondContact O-OG1 3.03Å; L236-T239 PolarHBondContact O-N 3.46Å; M237-T239 VanDerWaalsContact C-N 3.33Å; M237-T239 PolarHBondContact O-N 3.24Å; T239-K274 WeakPolarHBondContact O-CE 3.47Å; T239-K274 PolarHBondContact O-NZ 3.22Å |
| 240 | L | 85.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 57.7 Ų | 57.7 | 29% | 0.288 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -76.9 | -46.4 | 175.2 | -66 | -179.9 | 0 | 0 | 0 | 112.2 | P195 M198 E199 L236 M237 K274 | P195-L240 HydrophobicContact CB-CD2 3.8Å; M198-L240 HydrophobicContact CB-CD1 4.45Å; M198-L240 HydrophobicContact CB-CD2 3.95Å; M198-L240 HydrophobicContact CB-CG 4.37Å; M198-L240 HydrophobicContact SD-CG 4.46Å; E199-L240 HydrophobicContact CG-CD2 3.77Å; L236-L240 HydrophobicContact CD1-CD1 3.75Å; L236-L240 HydrophobicContact CD1-CG 4.24Å; L236-L240 HydrophobicContact CG-CD1 4.35Å; L236-L240 WeakPolarHBondContact O-CG 3.49Å; L236-L240 PolarHBondContact O-N 2.84Å; M237-L240 PolarHBondContact O-N 2.82Å; L240-K274 PolarHBondContact O-NZ 3.34Å |
| 241 | Q | 88.8 | Confident | 86.1 | Confident | 136 Ų | 136 | 54.1 Ų | 54.1 | 64% | 0.636 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -86.4 | -30.3 | -166.3 | -64.4 | 175.2 | -17.4 | 0 | 0 | 115.3 | M237 | M237-Q241 VanDerWaalsContact O-CB 3.23Å; M237-Q241 WeakPolarHBondContact O-CB 3.44Å; M237-Q241 VanDerWaalsContact O-CG 3.27Å; M237-Q241 WeakPolarHBondContact O-CG 3.46Å; M237-Q241 PolarHBondContact O-N 2.59Å |
| 242 | N | 91.6 | Very high | 86.7 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 39% | 0.385 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -91 | 173.8 | -177.9 | -58.8 | -38.4 | 0 | 0 | 0 | 112.5 | L238 K274 | L238-N242 WeakPolarHBondContact CD2-ND2 3.34Å; L238-N242 VanDerWaalsContact O-CB 3.31Å; L238-N242 WeakPolarHBondContact O-CB 3.44Å; L238-N242 PolarHBondContact O-N 2.71Å; L238-N242 VanDerWaalsContact O-N 3.13Å; L238-N242 PolarHBondContact O-ND2 3.27Å; N242-K274 WeakPolarHBondContact O-CE 3.28Å; N242-K274 PolarHBondContact O-NZ 3.29Å |
| 243 | D | 94.8 | Very high | 87.5 | Confident | 143 Ų | 143 | 63.2 Ų | 63.2 | 77% | 0.765 | 33% | 0.334 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 154.5 | 160.3 | -74.4 | -52.2 | 0 | 0 | 0 | 111.9 | ||
| 244 | P | 96.6 | Very high | 88.4 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 28% | 0.279 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 140.6 | 175 | -23.7 | 33.5 | 0 | 0 | 0 | 112.7 | W211 L272 K274 | W211-P244 HydrophobicContact CH2-CB 4.03Å; W211-P244 HydrophobicContact CZ3-CB 4.11Å; W211-P244 HydrophobicContact CZ3-CG 4.45Å; P244-L272 HydrophobicContact CB-CB 4.14Å; P244-L272 WeakPolarHBondContact CB-O 3.37Å; P244-L272 WeakPolarHBondContact CG-O 3.22Å; P244-K274 HydrophobicContact CG-CD 4.14Å; P244-K274 HydrophobicContact CG-CG 4.06Å |
| 245 | P | 96.9 | Very high | 89 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 5% | 0.045 | 34% | 0.339 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 145.6 | -175.9 | 24.7 | -31.3 | 0 | 0 | 0 | 112.3 | I215 P226 Y227 T249 L272 | I215-P245 HydrophobicContact CD1-CG 3.9Å; P226-P245 HydrophobicContact CB-CB 3.64Å; P226-P245 HydrophobicContact CB-CG 4.18Å; P226-P245 HydrophobicContact CG-CB 3.72Å; P226-P245 HydrophobicContact CG-CG 3.96Å; Y227-P245 HydrophobicContact CE2-CB 4.46Å; Y227-P245 HydrophobicContact CE2-CG 4.36Å; P245-T249 HydrophobicContact CB-CG2 3.87Å; P245-L272 HydrophobicContact CG-CD1 4.26Å; P245-L272 VanDerWaalsContact O-CD1 3.22Å; P245-L272 WeakPolarHBondContact O-CD1 3.32Å |
| 246 | S | 97.4 | Very high | 89.6 | Confident | 46 Ų | 46 | 65.8 Ų | 65.8 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | trans | -103.8 | 175.4 | 172.9 | 82.2 | 0 | 0 | 0 | 0 | 111.9 | E248 T249 | S246-E248 WeakPolarHBondContact CB-OE2 3.33Å; S246-E248 PolarHBondContact O-N 3.17Å; S246-E248 PolarHBondContact OG-N 2.77Å; S246-E248 PolarHBondContact OG-OE2 3.42Å; S246-T249 PolarHBondContact N-OG1 3.22Å; S246-T249 VanDerWaalsContact O-CB 3.27Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 3.12Å; S246-T249 PolarHBondContact O-OG1 3.42Å | ||
| 247 | L | 96.8 | Very high | 90.5 | Very high | 4 Ų | 4 | 64.7 Ų | 64.7 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25 | 174.5 | -173.2 | 60.4 | 0 | 0 | 0 | 113.4 | I218 A221 T222 T249 L257 Y260 F264 R265 I268 | I218-L247 HydrophobicContact CB-CD1 4.49Å; I218-L247 HydrophobicContact CG1-CD1 4.34Å; I218-L247 HydrophobicContact CG2-CD1 4.24Å; A221-L247 HydrophobicContact CB-CD1 3.74Å; T222-L247 HydrophobicContact CG2-CD1 4.03Å; L247-T249 VanDerWaalsContact C-N 3.34Å; L247-L257 HydrophobicContact CG-CD1 4.36Å; L247-L257 HydrophobicContact CG-CD2 4.22Å; L247-L257 VanDerWaalsContact O-CD1 3.24Å; L247-L257 WeakPolarHBondContact O-CD1 3.13Å; L247-Y260 HydrophobicContact CD2-CD2 3.86Å; L247-Y260 HydrophobicContact CD2-CG 3.84Å; L247-F264 HydrophobicContact CD1-CE1 4.19Å; L247-F264 HydrophobicContact CD2-CD1 3.96Å; L247-F264 HydrophobicContact CD2-CE1 4.04Å; L247-R265 HydrophobicContact CD2-CG 4.19Å; L247-I268 HydrophobicContact CB-CD1 4.37Å; L247-I268 HydrophobicContact CD1-CD1 4.31Å |
| 248 | E | 95.2 | Very high | 91.3 | Very high | 66 Ų | 66 | 67 Ų | 67 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -18.2 | 171.7 | -67.5 | 74.2 | -165.5 | 0 | 0 | 114.1 | S246 G250 V251 L257 R265 | S246-E248 WeakPolarHBondContact CB-OE2 3.33Å; S246-E248 PolarHBondContact O-N 3.17Å; S246-E248 PolarHBondContact OG-N 2.77Å; S246-E248 PolarHBondContact OG-OE2 3.42Å; E248-G250 PolarHBondContact O-N 3.26Å; E248-V251 PolarHBondContact O-N 2.78Å; E248-V251 VanDerWaalsContact O-N 3.14Å; E248-L257 HydrophobicContact CB-CD1 4.39Å; E248-L257 HydrophobicContact CG-CD1 4.14Å; E248-R265 IonicContact OE1-CZ 3.56Å; E248-R265 IonicContact OE1-NH1 2.62Å; E248-R265 PolarHBondContact OE1-NH1 3.22Å; E248-R265 IonicContact OE1-NH2 3.71Å; E248-R265 IonicContact OE2-NH1 3.61Å |
| 249 | T | 94.2 | Very high | 91.6 | Very high | 38 Ų | 38 | 69 Ų | 69 | 23% | 0.233 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | 124.1 | -169.6 | -55.9 | 0 | 0 | 0 | 0 | 110 | P226 Y227 P245 S246 L247 V251 | P226-T249 WeakPolarHBondContact CA-O 3.46Å; P226-T249 HydrophobicContact CB-CG2 3.84Å; Y227-T249 HydrophobicContact CD1-CG2 4.16Å; Y227-T249 HydrophobicContact CE1-CG2 3.49Å; Y227-T249 VanDerWaalsContact CE1-CG2 3.49Å; P245-T249 HydrophobicContact CB-CG2 3.87Å; S246-T249 PolarHBondContact N-OG1 3.22Å; S246-T249 VanDerWaalsContact O-CB 3.27Å; S246-T249 WeakPolarHBondContact O-CB 3.25Å; S246-T249 PolarHBondContact O-N 3.12Å; S246-T249 PolarHBondContact O-OG1 3.42Å; L247-T249 VanDerWaalsContact C-N 3.34Å; T249-V251 VanDerWaalsContact C-N 3.33Å |
| 250 | G | 86 | Confident | 92 | Very high | 36 Ų | 36 | 69.1 Ų | 69.1 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.7 | -10.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | P226 E248 | P226-G250 WeakPolarHBondContact O-CA 3.33Å; E248-G250 PolarHBondContact O-N 3.26Å |
| 251 | V | 90.6 | Very high | 92.6 | Very high | 27 Ų | 27 | 67.8 Ų | 67.8 | 16% | 0.164 | 35% | 0.352 | C | S | . | . | trans | -96.3 | 129.6 | -177.2 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | T222 E248 T249 D253 M256 L257 | T222-V251 HydrophobicContact CG2-CG2 3.55Å; E248-V251 PolarHBondContact O-N 2.78Å; E248-V251 VanDerWaalsContact O-N 3.14Å; T249-V251 VanDerWaalsContact C-N 3.33Å; V251-D253 WeakPolarHBondContact CG1-O 3.35Å; V251-M256 HydrophobicContact CG1-SD 3.94Å; V251-L257 HydrophobicContact CB-CD1 4.13Å; V251-L257 HydrophobicContact CG1-CD1 4.09Å; V251-L257 HydrophobicContact CG1-CD2 4.4Å; V251-L257 HydrophobicContact CG1-CG 4.18Å; V251-L257 HydrophobicContact CG2-CD1 4.17Å; V251-L257 HydrophobicContact CG2-CD2 4.35Å | ||
| 252 | Q | 85.1 | Confident | 93 | Very high | 172 Ų | 172 | 70.3 Ų | 70.3 | 80% | 0.804 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -84.8 | -52.9 | 179.7 | -71.5 | 173.6 | -22.7 | 0 | 0 | 112.2 | ||
| 253 | D | 88.4 | Confident | 93.3 | Very high | 94 Ų | 94 | 68.5 Ų | 68.5 | 50% | 0.503 | 35% | 0.353 | S | S | . | . | trans | -87.9 | 116.7 | 175.4 | 178.1 | 18.5 | 0 | 0 | 0 | 111.3 | V251 E255 M256 | V251-D253 WeakPolarHBondContact CG1-O 3.35Å; D253-E255 WeakPolarHBondContact OD1-CB 3.21Å; D253-E255 PolarHBondContact OD1-N 3.31Å; D253-M256 VanDerWaalsContact O-CB 3.3Å; D253-M256 WeakPolarHBondContact O-CB 3.45Å | ||
| 254 | K | 88.9 | Confident | 93.5 | Very high | 146 Ų | 146 | 61.7 Ų | 61.7 | 64% | 0.635 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -77.8 | -18.5 | 179.3 | -65.9 | -177.4 | 179.5 | 179.2 | 0 | 113.4 | M256 L257 | K254-M256 VanDerWaalsContact C-N 3.27Å; K254-M256 PolarHBondContact O-N 3.22Å; K254-L257 PolarHBondContact O-N 3.33Å |
| 255 | E | 88.3 | Confident | 93.6 | Very high | 112 Ų | 112 | 62.8 Ų | 62.8 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | G | 310 helix | trans | -67.6 | -29.4 | 175.8 | -73.4 | -76.8 | 111.8 | 0 | 0 | 111.7 | D253 L257 K258 | D253-E255 WeakPolarHBondContact OD1-CB 3.21Å; D253-E255 PolarHBondContact OD1-N 3.31Å; E255-L257 PolarHBondContact O-N 3.47Å; E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.29Å; E255-K258 VanDerWaalsContact O-N 3.09Å; E255-K258 IonicContact OE1-NZ 2.74Å; E255-K258 PolarHBondContact OE1-NZ 2.9Å; E255-K258 WeakPolarHBondContact OE2-CD 3.49Å; E255-K258 IonicContact OE2-NZ 2.61Å; E255-K258 PolarHBondContact OE2-NZ 3.1Å |
| 256 | M | 90.5 | Very high | 93.6 | Very high | 22 Ų | 22 | 67.4 Ų | 67.4 | 11% | 0.108 | 34% | 0.335 | C | S | . | . | G | 310 helix | trans | -48.4 | -32.8 | 167 | -172.8 | -170.4 | -178 | 0 | 0 | 112.6 | H113 K114 S115 G116 T222 V251 D253 K254 | H113-M256 WeakPolarHBondContact O-CE 3.47Å; K114-M256 WeakPolarHBondContact O-CA 3.5Å; S115-M256 CarbonylContact C-O 3.58Å; G116-M256 VanDerWaalsContact N-CG 3.33Å; G116-M256 PolarHBondContact N-O 3.12Å; G116-M256 VanDerWaalsContact N-O 3.13Å; T222-M256 WeakPolarHBondContact O-CE 3.36Å; V251-M256 HydrophobicContact CG1-SD 3.94Å; D253-M256 VanDerWaalsContact O-CB 3.3Å; D253-M256 WeakPolarHBondContact O-CB 3.45Å; K254-M256 VanDerWaalsContact C-N 3.27Å; K254-M256 PolarHBondContact O-N 3.22Å |
| 257 | L | 93.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -96.7 | 4.5 | -172.8 | -52.3 | 179.1 | 0 | 0 | 0 | 114.1 | T222 L247 E248 V251 K254 E255 K259 Y260 R265 | T222-L257 HydrophobicContact CG2-CD2 4.25Å; L247-L257 HydrophobicContact CG-CD1 4.36Å; L247-L257 HydrophobicContact CG-CD2 4.22Å; L247-L257 VanDerWaalsContact O-CD1 3.24Å; L247-L257 WeakPolarHBondContact O-CD1 3.13Å; E248-L257 HydrophobicContact CB-CD1 4.39Å; E248-L257 HydrophobicContact CG-CD1 4.14Å; V251-L257 HydrophobicContact CB-CD1 4.13Å; V251-L257 HydrophobicContact CG1-CD1 4.09Å; V251-L257 HydrophobicContact CG1-CD2 4.4Å; V251-L257 HydrophobicContact CG1-CG 4.18Å; V251-L257 HydrophobicContact CG2-CD1 4.17Å; V251-L257 HydrophobicContact CG2-CD2 4.35Å; K254-L257 PolarHBondContact O-N 3.33Å; E255-L257 PolarHBondContact O-N 3.47Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 3.05Å; L257-Y260 HydrophobicContact CB-CD2 4.3Å; L257-Y260 HydrophobicContact CD2-CD2 4.15Å; L257-Y260 HydrophobicContact CD2-CE2 4.16Å; L257-Y260 PolarHBondContact O-N 3.38Å; L257-R265 PolarHBondContact O-NH2 2.77Å |
| 258 | K | 92.3 | Very high | 93.8 | Very high | 146 Ų | 146 | 65.2 Ų | 65.2 | 64% | 0.635 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -27.5 | -173 | -165.6 | 172 | -162.5 | 145.9 | 0 | 113.8 | E255 Y260 | E255-K258 WeakPolarHBondContact O-CB 3.46Å; E255-K258 PolarHBondContact O-N 3.29Å; E255-K258 VanDerWaalsContact O-N 3.09Å; E255-K258 IonicContact OE1-NZ 2.74Å; E255-K258 PolarHBondContact OE1-NZ 2.9Å; E255-K258 WeakPolarHBondContact OE2-CD 3.49Å; E255-K258 IonicContact OE2-NZ 2.61Å; E255-K258 PolarHBondContact OE2-NZ 3.1Å; K258-Y260 VanDerWaalsContact C-N 3.3Å; K258-Y260 PolarHBondContact O-N 2.83Å |
| 259 | K | 93.4 | Very high | 94 | Very high | 78 Ų | 78 | 64.4 Ų | 64.4 | 34% | 0.339 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -13.4 | 177.1 | 76.4 | 177.6 | 176.6 | -152.5 | 0 | 114.5 | S115 G116 L118 L257 | S115-K259 WeakPolarHBondContact O-CD 3.33Å; S115-K259 WeakPolarHBondContact O-CE 3.44Å; S115-K259 WeakPolarHBondContact O-CG 3.1Å; S115-K259 PolarHBondContact O-NZ 2.69Å; G116-K259 VanDerWaalsContact C-NZ 3.33Å; G116-K259 PolarHBondContact O-NZ 2.96Å; L118-K259 VanDerWaalsContact O-CE 3.23Å; L118-K259 WeakPolarHBondContact O-CE 3.45Å; L257-K259 VanDerWaalsContact C-N 3.31Å; L257-K259 PolarHBondContact O-N 3.05Å |
| 260 | Y | 97.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 64.8 Ų | 64.8 | 3% | 0.027 | 32% | 0.322 | C | S | . | . | trans | -92.2 | 116.9 | -174.9 | -60.3 | -62.5 | 0 | 0 | 0 | 111.5 | G116 V117 L118 E120 I123 A221 L247 L257 K258 F264 R265 | G116-Y260 WeakPolarHBondContact CA-OH 3.39Å; V117-Y260 PolarHBondContact N-OH 2.82Å; L118-Y260 WeakPolarHBondContact O-CE1 3.44Å; L118-Y260 PolarHBondContact O-OH 2.79Å; E120-Y260 HydrophobicContact CG-CD1 3.9Å; I123-Y260 HydrophobicContact CD1-CE1 3.89Å; A221-Y260 WeakPolarHBondContact CA-OH 3.24Å; A221-Y260 HydrophobicContact CB-CD1 4.45Å; A221-Y260 HydrophobicContact CB-CD2 4.46Å; A221-Y260 HydrophobicContact CB-CE1 3.85Å; A221-Y260 HydrophobicContact CB-CE2 3.87Å; A221-Y260 PolarHBondContact O-OH 3.43Å; A221-Y260 VanDerWaalsContact O-OH 3.13Å; L247-Y260 HydrophobicContact CD2-CD2 3.86Å; L247-Y260 HydrophobicContact CD2-CG 3.84Å; L257-Y260 HydrophobicContact CB-CD2 4.3Å; L257-Y260 HydrophobicContact CD2-CD2 4.15Å; L257-Y260 HydrophobicContact CD2-CE2 4.16Å; L257-Y260 PolarHBondContact O-N 3.38Å; K258-Y260 VanDerWaalsContact C-N 3.3Å; K258-Y260 PolarHBondContact O-N 2.83Å; Y260-F264 AromaticContact CD1-CD1 3.89Å; Y260-F264 HydrophobicContact CD1-CD1 3.89Å; Y260-F264 AromaticContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CE1-CE1 4.43Å; Y260-F264 HydrophobicContact CG-CD1 4.16Å; Y260-F264 HydrophobicContact CG-CE1 4.35Å; Y260-R265 PolarHBondContact O-NE 2.71Å | ||
| 261 | G | 97.2 | Very high | 94.8 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 27% | 0.268 | 30% | 0.304 | S | S | . | . | trans | -83.1 | 168.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E120 S263 F264 R265 | E120-G261 PolarHBondContact OE1-N 3.42Å; G261-S263 PolarHBondContact O-N 3.08Å; G261-S263 VanDerWaalsContact O-N 3.12Å; G261-F264 PolarHBondContact O-N 3.17Å; G261-F264 VanDerWaalsContact O-N 3.12Å; G261-R265 WeakPolarHBondContact O-CD 3.13Å; G261-R265 WeakPolarHBondContact O-CG 3.12Å; G261-R265 PolarHBondContact O-N 2.87Å | ||
| 262 | K | 97.7 | Very high | 95.1 | Very high | 190 Ų | 190 | 62.1 Ų | 62.1 | 83% | 0.826 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -56.3 | -29.7 | 179.3 | -65.8 | -173.9 | 178.7 | -177.4 | 0 | 113.2 | K266 | K262-K266 VanDerWaalsContact O-CB 3.29Å; K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 3.36Å |
| 263 | S | 98.2 | Very high | 95.7 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 176.1 | 44.9 | 0 | 0 | 0 | 0 | 113.1 | G261 K266 M267 H288 | G261-S263 PolarHBondContact O-N 3.08Å; G261-S263 VanDerWaalsContact O-N 3.12Å; S263-K266 PolarHBondContact O-N 3.41Å; S263-M267 PolarHBondContact O-N 2.92Å; S263-H288 PolarHBondContact O-CE1 3.33Å; S263-H288 VanDerWaalsContact O-CE1 3.3Å |
| 264 | F | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.9 | -44.8 | 179.2 | -177.5 | -129 | 0 | 0 | 0 | 111 | E120 I123 A217 A221 L247 Y260 G261 K266 M267 I268 F290 | E120-F264 VanDerWaalsContact OE1-CB 3.29Å; E120-F264 WeakPolarHBondContact OE1-CB 3.44Å; I123-F264 HydrophobicContact CD1-CE1 4.47Å; I123-F264 HydrophobicContact CD1-CZ 4.06Å; I123-F264 HydrophobicContact CG2-CE2 3.69Å; I123-F264 HydrophobicContact CG2-CZ 3.91Å; A217-F264 HydrophobicContact CB-CE2 4.11Å; A217-F264 HydrophobicContact CB-CZ 4.25Å; A217-F264 VanDerWaalsContact O-CZ 3.29Å; A217-F264 WeakPolarHBondContact O-CZ 3.41Å; A221-F264 HydrophobicContact CB-CE1 3.86Å; A221-F264 HydrophobicContact CB-CZ 4.2Å; L247-F264 HydrophobicContact CD1-CE1 4.19Å; L247-F264 HydrophobicContact CD2-CD1 3.96Å; L247-F264 HydrophobicContact CD2-CE1 4.04Å; Y260-F264 AromaticContact CD1-CD1 3.89Å; Y260-F264 HydrophobicContact CD1-CD1 3.89Å; Y260-F264 AromaticContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CD1-CE1 3.95Å; Y260-F264 HydrophobicContact CE1-CE1 4.43Å; Y260-F264 HydrophobicContact CG-CD1 4.16Å; Y260-F264 HydrophobicContact CG-CE1 4.35Å; G261-F264 PolarHBondContact O-N 3.17Å; G261-F264 VanDerWaalsContact O-N 3.12Å; F264-K266 VanDerWaalsContact C-N 3.31Å; F264-K266 PolarHBondContact O-N 3.27Å; F264-M267 HydrophobicContact CD2-CE 3.81Å; F264-M267 HydrophobicContact CE2-CE 3.73Å; F264-M267 WeakPolarHBondContact O-CB 3.31Å; F264-M267 PolarHBondContact O-N 2.85Å; F264-M267 VanDerWaalsContact O-N 3.12Å; F264-I268 HydrophobicContact CD1-CD1 3.93Å; F264-I268 HydrophobicContact CD2-CD1 4.36Å; F264-I268 HydrophobicContact CE1-CD1 3.73Å; F264-I268 HydrophobicContact CE2-CD1 4.17Å; F264-I268 HydrophobicContact CG-CD1 4.28Å; F264-I268 HydrophobicContact CZ-CD1 3.87Å; F264-I268 WeakPolarHBondContact O-CG1 3.31Å; F264-I268 PolarHBondContact O-N 3.34Å; F264-F290 HydrophobicContact CB-CD2 3.72Å; F264-F290 HydrophobicContact CB-CE2 3.62Å; F264-F290 HydrophobicContact CB-CZ 4.42Å; F264-F290 HydrophobicContact CD2-CD1 4.15Å; F264-F290 AromaticContact CD2-CD2 3.84Å; F264-F290 HydrophobicContact CD2-CD2 3.84Å; F264-F290 AromaticContact CD2-CE1 3.66Å; F264-F290 HydrophobicContact CD2-CE1 3.66Å; F264-F290 AromaticContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CG 4.23Å; F264-F290 AromaticContact CD2-CZ 3.24Å; F264-F290 HydrophobicContact CD2-CZ 3.24Å; F264-F290 AromaticContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE2 4.17Å; F264-F290 AromaticContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CG-CD2 4.21Å; F264-F290 AromaticContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CZ 4.07Å |
| 265 | R | 98.4 | Very high | 96.1 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 25% | 0.249 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.9 | -63.5 | 162.8 | 176 | -79.4 | 6.2 | 112.1 | L247 E248 L257 Y260 G261 S269 | L247-R265 HydrophobicContact CD2-CG 4.19Å; E248-R265 IonicContact OE1-CZ 3.56Å; E248-R265 IonicContact OE1-NH1 2.62Å; E248-R265 PolarHBondContact OE1-NH1 3.22Å; E248-R265 IonicContact OE1-NH2 3.71Å; E248-R265 IonicContact OE2-NH1 3.61Å; L257-R265 PolarHBondContact O-NH2 2.77Å; Y260-R265 PolarHBondContact O-NE 2.71Å; G261-R265 WeakPolarHBondContact O-CD 3.13Å; G261-R265 WeakPolarHBondContact O-CG 3.12Å; G261-R265 PolarHBondContact O-N 2.87Å; R265-S269 PolarHBondContact O-N 2.82Å |
| 266 | K | 98.4 | Very high | 96.3 | Very high | 104 Ų | 104 | 46.8 Ų | 46.8 | 45% | 0.452 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68 | -39.8 | 174.4 | -176.3 | 64.6 | -151.9 | 147.2 | 0 | 112.2 | K262 S263 F264 S269 L270 | K262-K266 VanDerWaalsContact O-CB 3.29Å; K262-K266 WeakPolarHBondContact O-CB 3.48Å; K262-K266 PolarHBondContact O-N 3.36Å; S263-K266 PolarHBondContact O-N 3.41Å; F264-K266 VanDerWaalsContact C-N 3.31Å; F264-K266 PolarHBondContact O-N 3.27Å; K266-S269 WeakPolarHBondContact CA-OG 3.36Å; K266-S269 WeakPolarHBondContact CD-OG 3.27Å; K266-S269 PolarHBondContact NZ-OG 2.83Å; K266-S269 PolarHBondContact O-N 2.7Å; K266-S269 PolarHBondContact O-OG 2.73Å; K266-L270 WeakPolarHBondContact O-CG 3.5Å; K266-L270 PolarHBondContact O-N 2.71Å; K266-L270 VanDerWaalsContact O-N 3.17Å |
| 267 | M | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.6 | -52.7 | 174.1 | -173.7 | -83.5 | -73.3 | 0 | 0 | 110.7 | L127 F213 A217 S263 F264 S269 L270 C271 L285 F290 F291 | L127-M267 HydrophobicContact CD1-CE 4.22Å; F213-M267 HydrophobicContact CE1-CE 4.38Å; F213-M267 HydrophobicContact CE1-SD 3.79Å; A217-M267 HydrophobicContact CB-CE 3.83Å; S263-M267 PolarHBondContact O-N 2.92Å; F264-M267 HydrophobicContact CD2-CE 3.81Å; F264-M267 HydrophobicContact CE2-CE 3.73Å; F264-M267 WeakPolarHBondContact O-CB 3.31Å; F264-M267 PolarHBondContact O-N 2.85Å; F264-M267 VanDerWaalsContact O-N 3.12Å; M267-S269 VanDerWaalsContact C-N 3.29Å; M267-S269 PolarHBondContact O-N 3.27Å; M267-L270 WeakPolarHBondContact O-CB 3.38Å; M267-L270 PolarHBondContact O-N 3.09Å; M267-C271 PolarHBondContact O-N 2.91Å; M267-C271 PolarHBondContact O-SG 3.13Å; M267-C271 VanDerWaalsContact O-SG 3.42Å; M267-L285 HydrophobicContact CG-CD2 4.19Å; M267-F290 HydrophobicContact CB-CB 4.39Å; M267-F290 HydrophobicContact CE-CD1 4.06Å; M267-F290 HydrophobicContact CE-CE1 4.16Å; M267-F291 HydrophobicContact CE-CZ 4.4Å; M267-F291 HydrophobicContact CG-CE2 4.1Å; M267-F291 HydrophobicContact CG-CZ 4.29Å |
| 268 | I | 98.7 | Very high | 96.7 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.021 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54 | -45.1 | 176 | -67.1 | 166.4 | 0 | 0 | 0 | 111.2 | A217 I218 L247 F264 L270 C271 L272 | A217-I268 HydrophobicContact CB-CD1 4.48Å; A217-I268 HydrophobicContact CB-CG1 4.05Å; I218-I268 HydrophobicContact CD1-CG2 3.98Å; I218-I268 HydrophobicContact CG1-CD1 4.06Å; I218-I268 HydrophobicContact CG1-CG2 4.05Å; L247-I268 HydrophobicContact CB-CD1 4.37Å; L247-I268 HydrophobicContact CD1-CD1 4.31Å; F264-I268 HydrophobicContact CD1-CD1 3.93Å; F264-I268 HydrophobicContact CD2-CD1 4.36Å; F264-I268 HydrophobicContact CE1-CD1 3.73Å; F264-I268 HydrophobicContact CE2-CD1 4.17Å; F264-I268 HydrophobicContact CG-CD1 4.28Å; F264-I268 HydrophobicContact CZ-CD1 3.87Å; F264-I268 WeakPolarHBondContact O-CG1 3.31Å; F264-I268 PolarHBondContact O-N 3.34Å; I268-L270 PolarHBondContact O-N 2.98Å; I268-C271 PolarHBondContact O-N 2.82Å; I268-L272 HydrophobicContact CG2-CD1 3.61Å; I268-L272 HydrophobicContact CG2-CG 4.26Å; I268-L272 WeakPolarHBondContact O-CB 3.33Å; I268-L272 PolarHBondContact O-N 2.79Å |
| 269 | S | 98.5 | Very high | 96.9 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.5 | -15 | 178.4 | 77.2 | 0 | 0 | 0 | 0 | 115.8 | R265 K266 M267 | R265-S269 PolarHBondContact O-N 2.82Å; K266-S269 WeakPolarHBondContact CA-OG 3.36Å; K266-S269 WeakPolarHBondContact CD-OG 3.27Å; K266-S269 PolarHBondContact NZ-OG 2.83Å; K266-S269 PolarHBondContact O-N 2.7Å; K266-S269 PolarHBondContact O-OG 2.73Å; M267-S269 VanDerWaalsContact C-N 3.29Å; M267-S269 PolarHBondContact O-N 3.27Å |
| 270 | L | 98.6 | Very high | 97.2 | Very high | 46 Ų | 46 | 50.2 Ų | 50.2 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -86.3 | -38.3 | 173.4 | -69.1 | 167.2 | 0 | 0 | 0 | 110.3 | K266 M267 I268 Q273 P280 | K266-L270 WeakPolarHBondContact O-CG 3.5Å; K266-L270 PolarHBondContact O-N 2.71Å; K266-L270 VanDerWaalsContact O-N 3.17Å; M267-L270 WeakPolarHBondContact O-CB 3.38Å; M267-L270 PolarHBondContact O-N 3.09Å; I268-L270 PolarHBondContact O-N 2.98Å; L270-Q273 PolarHBondContact O-NE2 2.77Å; L270-P280 HydrophobicContact CB-CG 4.05Å; L270-P280 WeakPolarHBondContact O-CD 3.49Å |
| 271 | C | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.3 | -46.8 | 175.2 | -58.8 | 0 | 0 | 0 | 0 | 112.2 | I210 M267 I268 Q273 R279 | I210-C271 HydrophobicContact CG2-CB 4.25Å; I210-C271 WeakPolarHBondContact O-CB 3.31Å; M267-C271 PolarHBondContact O-N 2.91Å; M267-C271 PolarHBondContact O-SG 3.13Å; M267-C271 VanDerWaalsContact O-SG 3.42Å; I268-C271 PolarHBondContact O-N 2.82Å; C271-Q273 PolarHBondContact O-N 2.7Å; C271-Q273 VanDerWaalsContact O-N 3.14Å; C271-R279 VanDerWaalsContact O-CD 3.29Å; C271-R279 WeakPolarHBondContact O-CD 3.17Å; C271-R279 WeakPolarHBondContact O-CG 3.46Å |
| 272 | L | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 4% | 0.037 | 25% | 0.246 | C | C | . | . | trans | -90.8 | 73.4 | -174 | -59.3 | -178.7 | 0 | 0 | 0 | 111.2 | W211 I215 I218 P244 P245 I268 | W211-L272 HydrophobicContact CD2-CD2 3.63Å; W211-L272 HydrophobicContact CE3-CB 4.39Å; W211-L272 HydrophobicContact CE3-CD2 3.9Å; W211-L272 HydrophobicContact CG-CD2 3.95Å; W211-L272 HydrophobicContact CZ2-CD2 4.31Å; W211-L272 HydrophobicContact CZ3-CB 4.26Å; W211-L272 HydrophobicContact CZ3-CD2 4.34Å; W211-L272 WeakPolarHBondContact O-CD2 3.41Å; I215-L272 HydrophobicContact CD1-CD1 4.06Å; I215-L272 HydrophobicContact CD1-CD2 3.75Å; I215-L272 HydrophobicContact CG1-CD2 3.97Å; I218-L272 HydrophobicContact CD1-CD1 3.67Å; P244-L272 HydrophobicContact CB-CB 4.14Å; P244-L272 WeakPolarHBondContact CB-O 3.37Å; P244-L272 WeakPolarHBondContact CG-O 3.22Å; P245-L272 HydrophobicContact CG-CD1 4.26Å; P245-L272 VanDerWaalsContact O-CD1 3.22Å; P245-L272 WeakPolarHBondContact O-CD1 3.32Å; I268-L272 HydrophobicContact CG2-CD1 3.61Å; I268-L272 HydrophobicContact CG2-CG 4.26Å; I268-L272 WeakPolarHBondContact O-CB 3.33Å; I268-L272 PolarHBondContact O-N 2.79Å | ||
| 273 | Q | 97.3 | Very high | 97.3 | Very high | 48 Ų | 48 | 42.9 Ų | 42.9 | 22% | 0.224 | 22% | 0.217 | C | C | . | . | trans | -120.8 | 136.1 | 171 | -66 | 179.9 | 89 | 0 | 0 | 109 | L270 C271 D275 K278 R279 | L270-Q273 PolarHBondContact O-NE2 2.77Å; C271-Q273 PolarHBondContact O-N 2.7Å; C271-Q273 VanDerWaalsContact O-N 3.14Å; Q273-D275 VanDerWaalsContact C-N 3.31Å; Q273-D275 PolarHBondContact O-N 3.43Å; Q273-K278 PolarHBondContact NE2-O 3Å; Q273-R279 HydrophobicContact CB-CG 4.25Å; Q273-R279 PolarHBondContact O-NE 2.71Å; Q273-R279 PolarHBondContact O-NH2 3.19Å | ||
| 274 | K | 92.3 | Very high | 97.3 | Very high | 64 Ų | 64 | 45.8 Ų | 45.8 | 28% | 0.278 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -58.4 | -47.7 | -179.3 | -62.5 | -55.2 | -171.4 | 83.5 | 0 | 111.2 | P195 W211 T239 L240 N242 P244 P276 R279 | P195-K274 HydrophobicContact CB-CD 4.23Å; P195-K274 HydrophobicContact CG-CB 4.43Å; P195-K274 HydrophobicContact CG-CD 3.88Å; W211-K274 HydrophobicContact CH2-CD 4.15Å; W211-K274 HydrophobicContact CZ3-CD 4.23Å; T239-K274 WeakPolarHBondContact O-CE 3.47Å; T239-K274 PolarHBondContact O-NZ 3.22Å; L240-K274 PolarHBondContact O-NZ 3.34Å; N242-K274 WeakPolarHBondContact O-CE 3.28Å; N242-K274 PolarHBondContact O-NZ 3.29Å; P244-K274 HydrophobicContact CG-CD 4.14Å; P244-K274 HydrophobicContact CG-CG 4.06Å; K274-P276 WeakPolarHBondContact O-CD 3.5Å; K274-R279 PolarHBondContact O-NH2 3.46Å |
| 275 | D | 93.1 | Very high | 97.3 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 28% | 0.283 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -66 | 118.7 | 172.8 | -178 | -31.1 | 0 | 0 | 0 | 111.2 | Q273 E277 K278 | Q273-D275 VanDerWaalsContact C-N 3.31Å; Q273-D275 PolarHBondContact O-N 3.43Å; D275-E277 WeakPolarHBondContact OD1-CA 3.27Å; D275-E277 WeakPolarHBondContact OD1-CB 3.44Å; D275-E277 PolarHBondContact OD1-N 2.82Å; D275-K278 HydrophobicContact CB-CB 4.33Å; D275-K278 HydrophobicContact CB-CD 4.1Å; D275-K278 HydrophobicContact CB-CG 4.13Å; D275-K278 PolarHBondContact OD1-N 2.71Å; D275-K278 IonicContact OD2-NZ 2.69Å; D275-K278 PolarHBondContact OD2-NZ 2.9Å |
| 276 | P | 92.3 | Very high | 97.3 | Very high | 36 Ų | 36 | 44.2 Ų | 44.2 | 23% | 0.234 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -74.1 | -25.8 | 179.9 | 30 | -34.4 | 0 | 0 | 0 | 113.5 | K207 K274 K278 R279 | K207-P276 HydrophobicContact CB-CB 3.8Å; K207-P276 HydrophobicContact CG-CB 4.36Å; K207-P276 WeakPolarHBondContact CG-O 3.45Å; K207-P276 PolarHBondContact NZ-O 2.93Å; K274-P276 WeakPolarHBondContact O-CD 3.5Å; P276-K278 VanDerWaalsContact C-N 3.31Å; P276-K278 PolarHBondContact O-N 2.72Å; P276-R279 PolarHBondContact O-N 3.14Å |
| 277 | E | 94 | Very high | 97.3 | Very high | 168 Ų | 168 | 48 Ų | 48 | 79% | 0.785 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -41.2 | 177.5 | -63.2 | -171.1 | 173.9 | 0 | 0 | 110.2 | K207 D275 R279 | K207-E277 PolarHBondContact NZ-O 2.63Å; D275-E277 WeakPolarHBondContact OD1-CA 3.27Å; D275-E277 WeakPolarHBondContact OD1-CB 3.44Å; D275-E277 PolarHBondContact OD1-N 2.82Å; E277-R279 PolarHBondContact O-N 3.32Å |
| 278 | K | 97.6 | Very high | 97.3 | Very high | 132 Ų | 132 | 49.8 Ų | 49.8 | 57% | 0.574 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67 | -17.2 | 177.6 | -66.1 | -174 | 177.8 | 81.7 | 0 | 114.6 | Q273 D275 P276 | Q273-K278 PolarHBondContact NE2-O 3Å; D275-K278 HydrophobicContact CB-CB 4.33Å; D275-K278 HydrophobicContact CB-CD 4.1Å; D275-K278 HydrophobicContact CB-CG 4.13Å; D275-K278 PolarHBondContact OD1-N 2.71Å; D275-K278 IonicContact OD2-NZ 2.69Å; D275-K278 PolarHBondContact OD2-NZ 2.9Å; P276-K278 VanDerWaalsContact C-N 3.31Å; P276-K278 PolarHBondContact O-N 2.72Å |
| 279 | R | 98.1 | Very high | 97.3 | Very high | 3 Ų | 3 | 56.5 Ų | 56.5 | 1% | 0.011 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -72.2 | 134.3 | 176.5 | -59.9 | -179.6 | -158.2 | 144.8 | 13.1 | 109.9 | E196 K207 I210 C271 Q273 K274 P276 E277 | E196-R279 IonicContact OE1-CZ 3.78Å; E196-R279 IonicContact OE1-NH1 3.78Å; E196-R279 PolarHBondContact OE1-NH1 2.95Å; E196-R279 IonicContact OE1-NH2 2.59Å; E196-R279 IonicContact OE2-CZ 2.81Å; E196-R279 IonicContact OE2-NH1 2.77Å; E196-R279 PolarHBondContact OE2-NH1 3.43Å; E196-R279 IonicContact OE2-NH2 2.65Å; E196-R279 PolarHBondContact OE2-NH2 3.31Å; K207-R279 HydrophobicContact CD-CB 4.35Å; K207-R279 WeakPolarHBondContact CE-O 3.37Å; K207-R279 PolarHBondContact NZ-O 3.06Å; K207-R279 WeakPolarHBondContact O-CD 3.47Å; K207-R279 PolarHBondContact O-NH1 2.81Å; I210-R279 HydrophobicContact CG2-CB 4.08Å; C271-R279 VanDerWaalsContact O-CD 3.29Å; C271-R279 WeakPolarHBondContact O-CD 3.17Å; C271-R279 WeakPolarHBondContact O-CG 3.46Å; Q273-R279 HydrophobicContact CB-CG 4.25Å; Q273-R279 PolarHBondContact O-NE 2.71Å; Q273-R279 PolarHBondContact O-NH2 3.19Å; K274-R279 PolarHBondContact O-NH2 3.46Å; P276-R279 PolarHBondContact O-N 3.14Å; E277-R279 PolarHBondContact O-N 3.32Å |
| 280 | P | 98.4 | Very high | 97.3 | Very high | 18 Ų | 18 | 54.1 Ų | 54.1 | 12% | 0.117 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 155.9 | 174.9 | 29.6 | -35.9 | 0 | 0 | 0 | 111.5 | I210 L270 E284 L285 | I210-P280 WeakPolarHBondContact CG2-O 3.46Å; L270-P280 HydrophobicContact CB-CG 4.05Å; L270-P280 WeakPolarHBondContact O-CD 3.49Å; P280-E284 HydrophobicContact CB-CB 3.83Å; P280-L285 HydrophobicContact CB-CD2 4.37Å; P280-L285 HydrophobicContact CB-CG 4.12Å; P280-L285 HydrophobicContact CG-CD1 4.11Å; P280-L285 HydrophobicContact CG-CD2 3.53Å; P280-L285 HydrophobicContact CG-CG 3.6Å |
| 281 | T | 98.5 | Very high | 97.3 | Very high | 40 Ų | 40 | 52.6 Ų | 52.6 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 162.3 | 164.4 | 60.4 | 0 | 0 | 0 | 0 | 111.2 | F206 A283 E284 L285 | F206-T281 HydrophobicContact CE2-CG2 4.14Å; F206-T281 HydrophobicContact CZ-CG2 4.45Å; T281-A283 PolarHBondContact O-N 3.21Å; T281-E284 WeakPolarHBondContact CB-OE2 3.34Å; T281-E284 WeakPolarHBondContact CG2-OE2 3.38Å; T281-E284 PolarHBondContact N-OE2 2.63Å; T281-E284 PolarHBondContact O-N 2.92Å; T281-E284 VanDerWaalsContact OG1-CD 3.28Å; T281-E284 VanDerWaalsContact OG1-CG 3.29Å; T281-E284 WeakPolarHBondContact OG1-CG 3.43Å; T281-E284 PolarHBondContact OG1-N 3.32Å; T281-E284 PolarHBondContact OG1-OE2 2.75Å; T281-L285 PolarHBondContact O-N 3.12Å |
| 282 | A | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 59.8 Ų | 59.8 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.9 | -40.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L131 L134 E135 I210 E284 L285 L286 | L131-A282 HydrophobicContact CD2-CB 3.98Å; L134-A282 HydrophobicContact CB-CB 4.34Å; E135-A282 HydrophobicContact CB-CB 3.81Å; I210-A282 HydrophobicContact CD1-CB 4.36Å; A282-E284 PolarHBondContact O-N 2.85Å; A282-L285 PolarHBondContact O-N 2.81Å; A282-L285 VanDerWaalsContact O-N 3.1Å; A282-L286 PolarHBondContact O-N 3.18Å |
| 283 | A | 98.4 | Very high | 97.3 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61 | -24.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | E135 T281 R287 | E135-A283 VanDerWaalsContact CD-CB 3.46Å; E135-A283 HydrophobicContact CG-CB 4.27Å; E135-A283 WeakPolarHBondContact OE1-CB 3.34Å; E135-A283 WeakPolarHBondContact OE2-CA 3.46Å; E135-A283 WeakPolarHBondContact OE2-CB 3.37Å; E135-A283 PolarHBondContact OE2-N 2.7Å; T281-A283 PolarHBondContact O-N 3.21Å; A283-R287 PolarHBondContact O-NE 3.46Å; A283-R287 PolarHBondContact O-NH2 3.06Å |
| 284 | E | 98.6 | Very high | 97.3 | Very high | 94 Ų | 94 | 61.7 Ų | 61.7 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -87.7 | -35.4 | 173.9 | -72.7 | 163.4 | 135.8 | 0 | 0 | 111.5 | P280 T281 A282 R287 | P280-E284 HydrophobicContact CB-CB 3.83Å; T281-E284 WeakPolarHBondContact CB-OE2 3.34Å; T281-E284 WeakPolarHBondContact CG2-OE2 3.38Å; T281-E284 PolarHBondContact N-OE2 2.63Å; T281-E284 PolarHBondContact O-N 2.92Å; T281-E284 VanDerWaalsContact OG1-CD 3.28Å; T281-E284 VanDerWaalsContact OG1-CG 3.29Å; T281-E284 WeakPolarHBondContact OG1-CG 3.43Å; T281-E284 PolarHBondContact OG1-N 3.32Å; T281-E284 PolarHBondContact OG1-OE2 2.75Å; A282-E284 PolarHBondContact O-N 2.85Å; E284-R287 PolarHBondContact O-N 2.78Å |
| 285 | L | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.8 | -41.2 | 174.2 | -74 | 171.7 | 0 | 0 | 0 | 112.6 | L131 I210 F213 M267 P280 T281 A282 R287 H288 F291 | L131-L285 HydrophobicContact CD1-CB 3.58Å; L131-L285 HydrophobicContact CD2-CB 3.99Å; L131-L285 HydrophobicContact CD2-CD1 3.81Å; L131-L285 HydrophobicContact CG-CB 4.45Å; I210-L285 HydrophobicContact CD1-CD1 4.2Å; I210-L285 HydrophobicContact CG2-CD1 3.95Å; F213-L285 HydrophobicContact CD1-CD1 4.15Å; F213-L285 HydrophobicContact CE1-CD1 4.07Å; M267-L285 HydrophobicContact CG-CD2 4.19Å; P280-L285 HydrophobicContact CB-CD2 4.37Å; P280-L285 HydrophobicContact CB-CG 4.12Å; P280-L285 HydrophobicContact CG-CD1 4.11Å; P280-L285 HydrophobicContact CG-CD2 3.53Å; P280-L285 HydrophobicContact CG-CG 3.6Å; T281-L285 PolarHBondContact O-N 3.12Å; A282-L285 PolarHBondContact O-N 2.81Å; A282-L285 VanDerWaalsContact O-N 3.1Å; L285-R287 PolarHBondContact O-N 2.97Å; L285-R287 VanDerWaalsContact O-N 3.16Å; L285-H288 WeakPolarHBondContact O-CB 3.44Å; L285-H288 PolarHBondContact O-N 3.15Å; L285-F291 HydrophobicContact CB-CE2 4.5Å; L285-F291 WeakPolarHBondContact O-CD2 3.27Å; L285-F291 WeakPolarHBondContact O-CE2 3.3Å |
| 286 | L | 98.5 | Very high | 97.7 | Very high | 32 Ų | 32 | 65 Ų | 65 | 17% | 0.168 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -31.6 | 176.7 | -76.8 | 167.2 | 0 | 0 | 0 | 112.9 | R128 L131 E132 E135 A282 H288 | R128-L286 HydrophobicContact CG-CD2 3.69Å; L131-L286 HydrophobicContact CB-CD1 4.26Å; L131-L286 HydrophobicContact CB-CD2 3.62Å; L131-L286 HydrophobicContact CB-CG 3.72Å; L131-L286 HydrophobicContact CD1-CD2 4.16Å; L131-L286 HydrophobicContact CD1-CG 4.21Å; E132-L286 HydrophobicContact CG-CD1 4.42Å; E132-L286 HydrophobicContact CG-CD2 4.26Å; E132-L286 WeakPolarHBondContact OE1-CD2 3.45Å; E135-L286 VanDerWaalsContact OE2-CD1 3.31Å; E135-L286 WeakPolarHBondContact OE2-CD1 3.29Å; A282-L286 PolarHBondContact O-N 3.18Å; L286-H288 VanDerWaalsContact C-N 3.29Å; L286-H288 PolarHBondContact O-N 3.04Å |
| 287 | R | 98.3 | Very high | 97.8 | Very high | 183 Ų | 183 | 67.3 Ų | 67.3 | 69% | 0.691 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -6.1 | 175.5 | -71.4 | 177.1 | -78.6 | 156.4 | -4 | 113.9 | A283 E284 L285 | A283-R287 PolarHBondContact O-NE 3.46Å; A283-R287 PolarHBondContact O-NH2 3.06Å; E284-R287 PolarHBondContact O-N 2.78Å; L285-R287 PolarHBondContact O-N 2.97Å; L285-R287 VanDerWaalsContact O-N 3.16Å |
| 288 | H | 98.6 | Very high | 97.8 | Very high | 38 Ų | 38 | 63.7 Ų | 63.7 | 18% | 0.176 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -73.4 | 138.9 | -177.5 | -173.5 | -101.2 | 0 | 0 | 0 | 112.3 | S263 L285 L286 F290 F291 | S263-H288 PolarHBondContact O-CE1 3.33Å; S263-H288 VanDerWaalsContact O-CE1 3.3Å; L285-H288 WeakPolarHBondContact O-CB 3.44Å; L285-H288 PolarHBondContact O-N 3.15Å; L286-H288 VanDerWaalsContact C-N 3.29Å; L286-H288 PolarHBondContact O-N 3.04Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 PolarHBondContact O-N 3.11Å; H288-F291 HydrophobicContact CB-CD2 4.22Å; H288-F291 HydrophobicContact CB-CE2 4.34Å; H288-F291 PolarHBondContact O-N 3.33Å |
| 289 | K | 98.2 | Very high | 97.8 | Very high | 146 Ų | 146 | 59.3 Ų | 59.3 | 64% | 0.635 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -52.6 | -22.1 | -173.6 | -176.1 | 166 | -175.4 | 172.5 | 0 | 115.4 | Q292 | K289-Q292 WeakPolarHBondContact O-CB 3.34Å; K289-Q292 PolarHBondContact O-N 3.13Å |
| 290 | F | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -59.6 | -42.3 | 174.1 | 178.9 | -111.6 | 0 | 0 | 0 | 112.8 | E120 I123 A124 F264 M267 H288 Q292 K293 | E120-F290 HydrophobicContact CB-CE2 3.98Å; E120-F290 HydrophobicContact CG-CE2 4.12Å; E120-F290 WeakPolarHBondContact O-CZ 3.34Å; I123-F290 HydrophobicContact CB-CZ 4.22Å; I123-F290 HydrophobicContact CG2-CE1 4.21Å; I123-F290 HydrophobicContact CG2-CZ 3.93Å; A124-F290 HydrophobicContact CB-CD1 4.18Å; A124-F290 HydrophobicContact CB-CE1 3.67Å; A124-F290 HydrophobicContact CB-CE2 4.37Å; A124-F290 HydrophobicContact CB-CZ 3.77Å; F264-F290 HydrophobicContact CB-CD2 3.72Å; F264-F290 HydrophobicContact CB-CE2 3.62Å; F264-F290 HydrophobicContact CB-CZ 4.42Å; F264-F290 HydrophobicContact CD2-CD1 4.15Å; F264-F290 AromaticContact CD2-CD2 3.84Å; F264-F290 HydrophobicContact CD2-CD2 3.84Å; F264-F290 AromaticContact CD2-CE1 3.66Å; F264-F290 HydrophobicContact CD2-CE1 3.66Å; F264-F290 AromaticContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CE2 3.34Å; F264-F290 HydrophobicContact CD2-CG 4.23Å; F264-F290 AromaticContact CD2-CZ 3.24Å; F264-F290 HydrophobicContact CD2-CZ 3.24Å; F264-F290 AromaticContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE1 3.94Å; F264-F290 HydrophobicContact CE2-CE2 4.17Å; F264-F290 AromaticContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CE2-CZ 3.63Å; F264-F290 HydrophobicContact CG-CD2 4.21Å; F264-F290 AromaticContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CE2 3.74Å; F264-F290 HydrophobicContact CG-CZ 4.07Å; M267-F290 HydrophobicContact CB-CB 4.39Å; M267-F290 HydrophobicContact CE-CD1 4.06Å; M267-F290 HydrophobicContact CE-CE1 4.16Å; H288-F290 PolarHBondContact ND1-N 3.41Å; H288-F290 PolarHBondContact O-N 3.11Å; F290-Q292 PolarHBondContact O-N 3.26Å; F290-K293 HydrophobicContact CD2-CD 3.99Å; F290-K293 HydrophobicContact CE2-CD 4.12Å; F290-K293 WeakPolarHBondContact O-CB 3.34Å; F290-K293 PolarHBondContact O-N 3.38Å |
| 291 | F | 98.6 | Very high | 97.4 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 6% | 0.061 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -73.5 | -9.1 | -174.4 | -59.7 | -77.4 | 0 | 0 | 0 | 113.9 | L127 R128 L131 F213 M267 L285 H288 K293 A294 | L127-F291 HydrophobicContact CB-CE1 3.89Å; R128-F291 HydrophobicContact CB-CD1 4.14Å; L131-F291 HydrophobicContact CD1-CD2 4.47Å; L131-F291 HydrophobicContact CD1-CE1 3.85Å; L131-F291 HydrophobicContact CD1-CE2 3.73Å; L131-F291 HydrophobicContact CD1-CZ 3.38Å; F213-F291 HydrophobicContact CE1-CZ 4.49Å; F213-F291 HydrophobicContact CZ-CZ 4.04Å; M267-F291 HydrophobicContact CE-CZ 4.4Å; M267-F291 HydrophobicContact CG-CE2 4.1Å; M267-F291 HydrophobicContact CG-CZ 4.29Å; L285-F291 HydrophobicContact CB-CE2 4.5Å; L285-F291 WeakPolarHBondContact O-CD2 3.27Å; L285-F291 WeakPolarHBondContact O-CE2 3.3Å; H288-F291 HydrophobicContact CB-CD2 4.22Å; H288-F291 HydrophobicContact CB-CE2 4.34Å; H288-F291 PolarHBondContact O-N 3.33Å; F291-K293 PolarHBondContact O-N 3.47Å; F291-K293 VanDerWaalsContact O-N 3.1Å; F291-A294 WeakPolarHBondContact O-CB 3.35Å; F291-A294 PolarHBondContact O-N 2.88Å |
| 292 | Q | 98.1 | Very high | 97 | Very high | 151 Ų | 151 | 66 Ų | 66 | 71% | 0.706 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -62.8 | -11.3 | 165.9 | -60.4 | -179.7 | -11.8 | 0 | 0 | 113.1 | K289 F290 | K289-Q292 WeakPolarHBondContact O-CB 3.34Å; K289-Q292 PolarHBondContact O-N 3.13Å; F290-Q292 PolarHBondContact O-N 3.26Å |
| 293 | K | 98.2 | Very high | 96.7 | Very high | 76 Ų | 76 | 70.2 Ų | 70.2 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -86.2 | -13.5 | 173.3 | -65.9 | 164.9 | 171.8 | -84.2 | 0 | 113.4 | E120 S121 A124 F290 F291 | E120-K293 HydrophobicContact CB-CD 4.07Å; E120-K293 WeakPolarHBondContact OE2-CE 3.26Å; E120-K293 IonicContact OE2-NZ 2.63Å; E120-K293 PolarHBondContact OE2-NZ 3.48Å; S121-K293 WeakPolarHBondContact CB-O 3.39Å; A124-K293 HydrophobicContact CB-CB 3.86Å; F290-K293 HydrophobicContact CD2-CD 3.99Å; F290-K293 HydrophobicContact CE2-CD 4.12Å; F290-K293 WeakPolarHBondContact O-CB 3.34Å; F290-K293 PolarHBondContact O-N 3.38Å; F291-K293 PolarHBondContact O-N 3.47Å; F291-K293 VanDerWaalsContact O-N 3.1Å |
| 294 | A | 98.1 | Very high | 96.2 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | trans | -63.6 | 154.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A124 T125 R128 F291 | A124-A294 HydrophobicContact CB-CB 4.2Å; A124-A294 WeakPolarHBondContact O-CB 3.46Å; T125-A294 WeakPolarHBondContact OG1-CA 3.3Å; R128-A294 HydrophobicContact CB-CB 4.5Å; F291-A294 WeakPolarHBondContact O-CB 3.35Å; F291-A294 PolarHBondContact O-N 2.88Å | ||
| 295 | K | 97.7 | Very high | 95.7 | Very high | 103 Ų | 103 | 66.3 Ų | 66.3 | 45% | 0.448 | 30% | 0.301 | S | S | . | . | trans | -119 | -161 | -178.6 | -58.2 | -60.8 | 179.6 | -177.7 | 0 | 110.3 | T125 R128 F299 | T125-K295 HydrophobicContact CG2-CB 4.35Å; T125-K295 PolarHBondContact OG1-N 3.28Å; R128-K295 PolarHBondContact NH1-O 2.99Å; R128-K295 PolarHBondContact NH2-O 3.09Å; K295-F299 HydrophobicContact CB-CB 3.69Å; K295-F299 HydrophobicContact CB-CD1 3.58Å; K295-F299 HydrophobicContact CB-CD2 4.45Å; K295-F299 HydrophobicContact CB-CE1 4.32Å; K295-F299 HydrophobicContact CB-CG 3.65Å; K295-F299 HydrophobicContact CG-CB 4.31Å; K295-F299 HydrophobicContact CG-CD1 3.69Å; K295-F299 HydrophobicContact CG-CD2 4.13Å; K295-F299 HydrophobicContact CG-CE1 3.97Å; K295-F299 HydrophobicContact CG-CE2 4.38Å; K295-F299 HydrophobicContact CG-CG 3.77Å; K295-F299 HydrophobicContact CG-CZ 4.3Å | ||
| 296 | N | 95.8 | Very high | 95 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -97.4 | 175.1 | 173 | 58.3 | -27 | 0 | 0 | 0 | 111.2 | E298 F299 | N296-E298 VanDerWaalsContact C-N 3.34Å; N296-E298 VanDerWaalsContact CB-OE2 3.25Å; N296-E298 WeakPolarHBondContact CB-OE2 3.16Å; N296-E298 PolarHBondContact ND2-OE2 3.29Å; N296-F299 PolarHBondContact O-N 2.87Å; N296-F299 WeakPolarHBondContact OD1-CB 3.15Å | ||
| 297 | K | 94.2 | Very high | 94.1 | Very high | 85 Ų | 85 | 79 Ų | 79 | 37% | 0.37 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -69.6 | -30.9 | -179.8 | 65.6 | 179.3 | -162.3 | 167.3 | 0 | 112.8 | D157 G158 F299 L300 Q301 | D157-K297 WeakPolarHBondContact O-CD 3.48Å; D157-K297 IonicContact OD2-NZ 2.75Å; D157-K297 PolarHBondContact OD2-NZ 3.46Å; G158-K297 WeakPolarHBondContact O-CB 3.26Å; K297-F299 VanDerWaalsContact C-N 3.27Å; K297-F299 PolarHBondContact O-N 3.15Å; K297-L300 WeakPolarHBondContact O-CA 3.41Å; K297-L300 WeakPolarHBondContact O-CB 3.4Å; K297-L300 PolarHBondContact O-N 3.06Å; K297-Q301 PolarHBondContact O-N 3.08Å |
| 298 | E | 94.8 | Very high | 93.4 | Very high | 92 Ų | 92 | 71.2 Ų | 71.2 | 43% | 0.43 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -35.9 | 177.7 | -61 | 69.2 | -152.8 | 0 | 0 | 111 | N296 Q301 E302 | N296-E298 VanDerWaalsContact C-N 3.34Å; N296-E298 VanDerWaalsContact CB-OE2 3.25Å; N296-E298 WeakPolarHBondContact CB-OE2 3.16Å; N296-E298 PolarHBondContact ND2-OE2 3.29Å; E298-Q301 PolarHBondContact O-N 3.47Å; E298-E302 PolarHBondContact O-N 3.06Å |
| 299 | F | 96.3 | Very high | 92.6 | Very high | 40 Ų | 40 | 70.1 Ų | 70.1 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -40.2 | 171 | 170.4 | -95.5 | 0 | 0 | 0 | 112.3 | K295 N296 K297 Q301 K303 | K295-F299 HydrophobicContact CB-CB 3.69Å; K295-F299 HydrophobicContact CB-CD1 3.58Å; K295-F299 HydrophobicContact CB-CD2 4.45Å; K295-F299 HydrophobicContact CB-CE1 4.32Å; K295-F299 HydrophobicContact CB-CG 3.65Å; K295-F299 HydrophobicContact CG-CB 4.31Å; K295-F299 HydrophobicContact CG-CD1 3.69Å; K295-F299 HydrophobicContact CG-CD2 4.13Å; K295-F299 HydrophobicContact CG-CE1 3.97Å; K295-F299 HydrophobicContact CG-CE2 4.38Å; K295-F299 HydrophobicContact CG-CG 3.77Å; K295-F299 HydrophobicContact CG-CZ 4.3Å; N296-F299 PolarHBondContact O-N 2.87Å; N296-F299 WeakPolarHBondContact OD1-CB 3.15Å; K297-F299 VanDerWaalsContact C-N 3.27Å; K297-F299 PolarHBondContact O-N 3.15Å; F299-Q301 VanDerWaalsContact C-N 3.34Å; F299-K303 HydrophobicContact CE1-CB 4.42Å; F299-K303 HydrophobicContact CE1-CG 4.45Å; F299-K303 HydrophobicContact CE2-CB 4.38Å; F299-K303 HydrophobicContact CE2-CG 4.36Å; F299-K303 HydrophobicContact CZ-CB 4.29Å; F299-K303 HydrophobicContact CZ-CG 4.04Å; F299-K303 WeakPolarHBondContact O-CB 3.45Å; F299-K303 PolarHBondContact O-N 3.14Å |
| 300 | L | 95.1 | Very high | 92 | Very high | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 174.7 | -65.2 | -178.1 | 0 | 0 | 0 | 111.8 | T122 T125 I126 V160 K297 I304 L305 | T122-L300 HydrophobicContact CG2-CD2 4.22Å; T125-L300 HydrophobicContact CG2-CD1 3.86Å; T125-L300 HydrophobicContact CG2-CD2 4.07Å; T125-L300 HydrophobicContact CG2-CG 3.84Å; I126-L300 HydrophobicContact CG1-CD1 4.24Å; I126-L300 HydrophobicContact CG1-CD2 4.05Å; V160-L300 HydrophobicContact CG2-CD1 3.49Å; V160-L300 VanDerWaalsContact CG2-CD1 3.49Å; K297-L300 WeakPolarHBondContact O-CA 3.41Å; K297-L300 WeakPolarHBondContact O-CB 3.4Å; K297-L300 PolarHBondContact O-N 3.06Å; L300-I304 HydrophobicContact CD2-CD1 3.87Å; L300-I304 WeakPolarHBondContact O-CA 3.14Å; L300-I304 VanDerWaalsContact O-CB 3.31Å; L300-I304 WeakPolarHBondContact O-CB 3.41Å; L300-I304 PolarHBondContact O-N 3.01Å; L300-L305 PolarHBondContact O-N 2.55Å |
| 301 | Q | 92.7 | Very high | 91.1 | Very high | 76 Ų | 76 | 67.8 Ų | 67.8 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 177.1 | -168 | -176.1 | 57.3 | 0 | 0 | 111.8 | E156 K297 E298 F299 L305 Q306 | E156-Q301 PolarHBondContact O-NE2 2.82Å; K297-Q301 PolarHBondContact O-N 3.08Å; E298-Q301 PolarHBondContact O-N 3.47Å; F299-Q301 VanDerWaalsContact C-N 3.34Å; Q301-L305 HydrophobicContact CB-CD1 4.43Å; Q301-L305 HydrophobicContact CG-CD1 4.35Å; Q301-L305 PolarHBondContact O-N 3.07Å; Q301-Q306 PolarHBondContact O-N 3.11Å; Q301-Q306 VanDerWaalsContact O-N 3.14Å |
| 302 | E | 91.7 | Very high | 90.1 | Very high | 122 Ų | 122 | 70.2 Ų | 70.2 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -66.1 | -47 | 175.4 | -169.6 | -155.8 | 134.2 | 0 | 0 | 112.1 | E298 | E298-E302 PolarHBondContact O-N 3.06Å |
| 303 | K | 90.9 | Very high | 89.4 | Confident | 90 Ų | 90 | 67.7 Ų | 67.7 | 39% | 0.391 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -79.1 | -34.9 | -168.4 | -166.5 | 62.8 | 169.8 | -174.3 | 0 | 113.6 | F299 | F299-K303 HydrophobicContact CE1-CB 4.42Å; F299-K303 HydrophobicContact CE1-CG 4.45Å; F299-K303 HydrophobicContact CE2-CB 4.38Å; F299-K303 HydrophobicContact CE2-CG 4.36Å; F299-K303 HydrophobicContact CZ-CB 4.29Å; F299-K303 HydrophobicContact CZ-CG 4.04Å; F299-K303 WeakPolarHBondContact O-CB 3.45Å; F299-K303 PolarHBondContact O-N 3.14Å |
| 304 | I | 89.1 | Confident | 88.5 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 5% | 0.046 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -62.6 | -177 | -56.2 | -178.4 | 0 | 0 | 0 | 110.9 | I103 T122 I126 L154 L300 Q306 R307 A308 | I103-I304 HydrophobicContact CB-CG2 4.33Å; I103-I304 HydrophobicContact CD1-CG2 3.46Å; I103-I304 VanDerWaalsContact CD1-CG2 3.46Å; I103-I304 HydrophobicContact CG1-CG2 3.63Å; I103-I304 HydrophobicContact CG2-CG2 3.73Å; T122-I304 HydrophobicContact CG2-CD1 3.71Å; T122-I304 HydrophobicContact CG2-CG1 4.1Å; I126-I304 HydrophobicContact CD1-CD1 3.91Å; L154-I304 HydrophobicContact CD1-CG2 4.07Å; L300-I304 HydrophobicContact CD2-CD1 3.87Å; L300-I304 WeakPolarHBondContact O-CA 3.14Å; L300-I304 VanDerWaalsContact O-CB 3.31Å; L300-I304 WeakPolarHBondContact O-CB 3.41Å; L300-I304 PolarHBondContact O-N 3.01Å; I304-Q306 PolarHBondContact O-N 3.16Å; I304-R307 CarbonylContact O-C 3.54Å; I304-R307 WeakPolarHBondContact O-CA 3.2Å; I304-R307 WeakPolarHBondContact O-CB 3.12Å; I304-R307 PolarHBondContact O-N 3.29Å; I304-A308 PolarHBondContact O-N 3.35Å; I304-A308 VanDerWaalsContact O-N 3.09Å |
| 305 | L | 86.9 | Confident | 87.2 | Confident | 29 Ų | 29 | 64.7 Ų | 64.7 | 15% | 0.152 | 31% | 0.312 | C | S | . | . | G | 310 helix | trans | -67.7 | -37.7 | -159.9 | -61.8 | 178.2 | 0 | 0 | 0 | 113 | L154 G155 L300 Q301 R307 A308 | L154-L305 HydrophobicContact CB-CD2 4.01Å; L154-L305 HydrophobicContact CD1-CD2 3.9Å; G155-L305 WeakPolarHBondContact O-CD1 3.48Å; L300-L305 PolarHBondContact O-N 2.55Å; Q301-L305 HydrophobicContact CB-CD1 4.43Å; Q301-L305 HydrophobicContact CG-CD1 4.35Å; Q301-L305 PolarHBondContact O-N 3.07Å; L305-R307 PolarHBondContact O-N 3.24Å; L305-R307 VanDerWaalsContact O-N 3.07Å; L305-A308 PolarHBondContact O-N 2.83Å |
| 306 | Q | 83.7 | Confident | 85.7 | Confident | 145 Ų | 145 | 67.2 Ų | 67.2 | 68% | 0.678 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -63.3 | -10.4 | 172.6 | -68.4 | 178.7 | 12.9 | 0 | 0 | 114.3 | Q301 I304 | Q301-Q306 PolarHBondContact O-N 3.11Å; Q301-Q306 VanDerWaalsContact O-N 3.14Å; I304-Q306 PolarHBondContact O-N 3.16Å |
| 307 | R | 80.7 | Confident | 84 | Confident | 155 Ų | 155 | 72 Ų | 72 | 59% | 0.585 | 34% | 0.34 | S | S | * | . | G | 310 helix | trans | -116.5 | -5.7 | -178.8 | -56 | -178.6 | 179.8 | -133.6 | -7.5 | 113.3 | H106 I304 L305 | H106-R307 PolarHBondContact CD2-O 2.93Å; I304-R307 CarbonylContact O-C 3.54Å; I304-R307 WeakPolarHBondContact O-CA 3.2Å; I304-R307 WeakPolarHBondContact O-CB 3.12Å; I304-R307 PolarHBondContact O-N 3.29Å; L305-R307 PolarHBondContact O-N 3.24Å; L305-R307 VanDerWaalsContact O-N 3.07Å |
| 308 | A | 82.6 | Confident | 82.1 | Confident | 20 Ų | 20 | 70.5 Ų | 70.5 | 17% | 0.165 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -83.2 | 153.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I103 I304 L305 | I103-A308 HydrophobicContact CD1-CB 3.46Å; I103-A308 VanDerWaalsContact CD1-CB 3.46Å; I304-A308 PolarHBondContact O-N 3.35Å; I304-A308 VanDerWaalsContact O-N 3.09Å; L305-A308 PolarHBondContact O-N 2.83Å |
| 309 | P | 82.4 | Confident | 79.5 | Confident | 15 Ų | 15 | 75.9 Ų | 75.9 | 10% | 0.097 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 135.1 | 168.6 | 30.4 | -31.7 | 0 | 0 | 0 | 109.3 | H106 E313 R314 | H106-P309 HydrophobicContact CB-CG 4.38Å; P309-E313 HydrophobicContact CB-CB 4.29Å; P309-R314 HydrophobicContact CB-CG 4.18Å; P309-R314 HydrophobicContact CG-CG 3.99Å; P309-R314 PolarHBondContact O-NH1 2.84Å |
| 310 | T | 85.2 | Confident | 76.8 | Confident | 75 Ų | 75 | 79.2 Ų | 79.2 | 46% | 0.46 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 161.7 | 178.2 | 61 | 0 | 0 | 0 | 0 | 112.3 | S312 E313 R314 | T310-S312 PolarHBondContact O-N 2.84Å; T310-E313 WeakPolarHBondContact CB-OE2 3.34Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.23Å; T310-E313 PolarHBondContact N-OE2 3.45Å; T310-E313 PolarHBondContact O-N 3.46Å; T310-E313 VanDerWaalsContact OG1-CG 3.3Å; T310-E313 WeakPolarHBondContact OG1-CG 3.18Å; T310-E313 PolarHBondContact OG1-N 2.86Å; T310-E313 PolarHBondContact OG1-OE2 3.11Å; T310-R314 WeakPolarHBondContact O-CG 3.27Å; T310-R314 PolarHBondContact O-N 3.37Å |
| 311 | I | 79.6 | Confident | 73.8 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 11% | 0.113 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -54.1 | -38.7 | 176.5 | -166 | 173 | 0 | 0 | 0 | 112.5 | I23 L94 R314 A315 | I23-I311 HydrophobicContact CD1-CD1 3.98Å; I23-I311 HydrophobicContact CG1-CD1 4.04Å; I23-I311 HydrophobicContact CG2-CD1 4.35Å; I23-I311 HydrophobicContact CG2-CG1 4.37Å; L94-I311 HydrophobicContact CD1-CD1 4.05Å; I311-R314 PolarHBondContact O-N 3.24Å; I311-A315 VanDerWaalsContact O-CB 3.28Å; I311-A315 WeakPolarHBondContact O-CB 3.46Å; I311-A315 PolarHBondContact O-N 2.83Å |
| 312 | S | 78.3 | Confident | 70.8 | Confident | 64 Ų | 64 | 85.9 Ų | 85.9 | 45% | 0.448 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -71.9 | -31.4 | 178.5 | -46.6 | 0 | 0 | 0 | 0 | 113.2 | T310 K316 | T310-S312 PolarHBondContact O-N 2.84Å; S312-K316 WeakPolarHBondContact O-CG 3.48Å; S312-K316 PolarHBondContact O-N 3.03Å |
| 313 | E | 82.2 | Confident | 68 | Low | 99 Ų | 99 | 83.9 Ų | 83.9 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.7 | -34 | 173.3 | -72.1 | 166.3 | 119.3 | 0 | 0 | 112.2 | P309 T310 | P309-E313 HydrophobicContact CB-CB 4.29Å; T310-E313 WeakPolarHBondContact CB-OE2 3.34Å; T310-E313 WeakPolarHBondContact CG2-OE2 3.23Å; T310-E313 PolarHBondContact N-OE2 3.45Å; T310-E313 PolarHBondContact O-N 3.46Å; T310-E313 VanDerWaalsContact OG1-CG 3.3Å; T310-E313 WeakPolarHBondContact OG1-CG 3.18Å; T310-E313 PolarHBondContact OG1-N 2.86Å; T310-E313 PolarHBondContact OG1-OE2 3.11Å |
| 314 | R | 79.5 | Confident | 65.2 | Low | 24 Ų | 24 | 81.8 Ų | 81.8 | 9% | 0.091 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.8 | -48.8 | 171.3 | -61.6 | -173 | -55.5 | -107.8 | 8.6 | 111.1 | S96 G97 D102 P309 T310 I311 K316 K317 | S96-R314 PolarHBondContact O-NH2 3.24Å; G97-R314 PolarHBondContact O-NH1 2.58Å; D102-R314 VanDerWaalsContact CG-CD 3.5Å; D102-R314 WeakPolarHBondContact OD1-CD 3.45Å; P309-R314 HydrophobicContact CB-CG 4.18Å; P309-R314 HydrophobicContact CG-CG 3.99Å; P309-R314 PolarHBondContact O-NH1 2.84Å; T310-R314 WeakPolarHBondContact O-CG 3.27Å; T310-R314 PolarHBondContact O-N 3.37Å; I311-R314 PolarHBondContact O-N 3.24Å; R314-K316 PolarHBondContact O-N 3.45Å; R314-K317 WeakPolarHBondContact O-CB 3.48Å; R314-K317 PolarHBondContact O-N 2.89Å |
| 315 | A | 71.3 | Confident | 62.7 | Low | 7 Ų | 7 | 84.1 Ų | 84.1 | 6% | 0.058 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -59.4 | -29.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E21 V22 I311 K317 V318 R319 | E21-A315 HydrophobicContact CB-CB 4.27Å; E21-A315 HydrophobicContact CG-CB 4.3Å; V22-A315 WeakPolarHBondContact O-CB 3.35Å; I311-A315 VanDerWaalsContact O-CB 3.28Å; I311-A315 WeakPolarHBondContact O-CB 3.46Å; I311-A315 PolarHBondContact O-N 2.83Å; A315-K317 PolarHBondContact O-N 3.42Å; A315-V318 PolarHBondContact O-N 3.48Å; A315-R319 PolarHBondContact O-N 2.96Å |
| 316 | K | 66 | Low | 60.5 | Low | 156 Ų | 156 | 83 Ų | 83 | 68% | 0.678 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -56.6 | -36.7 | 172 | -80.3 | 173 | -169.2 | 179.9 | 0 | 112.6 | S312 R314 V318 R319 | S312-K316 WeakPolarHBondContact O-CG 3.48Å; S312-K316 PolarHBondContact O-N 3.03Å; R314-K316 PolarHBondContact O-N 3.45Å; K316-V318 PolarHBondContact O-N 2.92Å; K316-R319 PolarHBondContact O-N 3.07Å |
| 317 | K | 60.2 | Low | 58.6 | Low | 184 Ų | 184 | 81.1 Ų | 81.1 | 80% | 0.8 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -10.4 | 176.7 | -60.1 | -172.3 | 173.3 | -167.8 | 0 | 114.2 | R314 A315 | R314-K317 WeakPolarHBondContact O-CB 3.48Å; R314-K317 PolarHBondContact O-N 2.89Å; A315-K317 PolarHBondContact O-N 3.42Å |
| 318 | V | 54.3 | Low | 57.1 | Low | 53 Ų | 53 | 74 Ų | 74 | 32% | 0.321 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | -11.8 | -179.3 | -166.4 | 0 | 0 | 0 | 0 | 111.2 | V22 A315 K316 R320 | V22-V318 HydrophobicContact CG1-CG1 3.86Å; A315-V318 PolarHBondContact O-N 3.48Å; K316-V318 PolarHBondContact O-N 2.92Å; V318-R320 PolarHBondContact O-N 3.42Å |
| 319 | R | 41.2 | Very low | 55.5 | Low | 206 Ų | 206 | 76.4 Ų | 76.4 | 78% | 0.777 | 40% | 0.403 | S | S | * | . | trans | -83.4 | 89.1 | 178.8 | -88.7 | -168 | 167.3 | -161.4 | -1.4 | 112.2 | A315 K316 | A315-R319 PolarHBondContact O-N 2.96Å; K316-R319 PolarHBondContact O-N 3.07Å | ||
| 320 | R | 40 | Very low | 53.8 | Low | 110 Ų | 110 | 79.7 Ų | 79.7 | 42% | 0.415 | 42% | 0.415 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 139 | 159.7 | -70.5 | 173.8 | 118.5 | -176.3 | -5.1 | 111.1 | V318 | V318-R320 PolarHBondContact O-N 3.42Š|
| 321 | V | 31.2 | Very low | 52.2 | Low | 95 Ų | 95 | 77.4 Ų | 77.4 | 58% | 0.576 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 128.2 | 164.1 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | G323 S324 | V321-G323 PolarHBondContact O-N 2.84Å; V321-S324 PolarHBondContact O-N 2.75Å; V321-S324 VanDerWaalsContact O-N 3.12Å |
| 322 | P | 30.3 | Very low | 50.6 | Low | 124 Ų | 124 | 84.3 Ų | 84.3 | 81% | 0.805 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | 120.7 | 174.8 | -23.4 | 34.3 | 0 | 0 | 0 | 111.1 | ||
| 323 | G | 31.8 | Very low | 49.1 | Very low | 80 Ų | 80 | 83.5 Ų | 83.5 | 83% | 0.825 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | -3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | V321 | V321-G323 PolarHBondContact O-N 2.84Š|
| 324 | S | 31.6 | Very low | 47.3 | Very low | 46 Ų | 46 | 80.5 Ų | 80.5 | 32% | 0.322 | 42% | 0.419 | S | S | . | . | trans | -74.7 | 123.3 | 168.3 | 150.7 | 0 | 0 | 0 | 0 | 110.3 | V321 | V321-S324 PolarHBondContact O-N 2.75Å; V321-S324 VanDerWaalsContact O-N 3.12Å | ||
| 325 | S | 37.9 | Very low | 45.6 | Very low | 57 Ų | 57 | 80.7 Ų | 80.7 | 40% | 0.399 | 43% | 0.429 | S | S | . | . | trans | -61.1 | 139.7 | 145.7 | 172.4 | 0 | 0 | 0 | 0 | 107.5 | D341 | S325-D341 PolarHBondContact OG-OD2 2.94Å; S325-D341 VanDerWaalsContact OG-OD2 3.11Å | ||
| 326 | G | 40.9 | Very low | 44.6 | Very low | 5 Ų | 5 | 84.1 Ų | 84.1 | 5% | 0.052 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 128.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | L328 W338 S339 | G326-L328 PolarHBondContact O-N 2.86Å; G326-W338 VanDerWaalsContact O-CZ3 3.27Å; G326-W338 WeakPolarHBondContact O-CZ3 3.41Å; G326-S339 CarbonylContact C-O 3.57Å; G326-S339 WeakPolarHBondContact CA-O 3.42Å |
| 327 | R | 43 | Very low | 43.8 | Very low | 107 Ų | 107 | 80.6 Ų | 80.6 | 40% | 0.404 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 102.1 | 175.5 | 177.1 | 179.8 | -166.5 | 162.4 | 4.6 | 109.5 | H329 S339 D341 D344 R451 | R327-H329 PolarHBondContact O-N 2.88Å; R327-S339 WeakPolarHBondContact CB-OG 3.37Å; R327-S339 PolarHBondContact N-O 2.84Å; R327-S339 VanDerWaalsContact N-O 3.11Å; R327-S339 PolarHBondContact O-N 3.01Å; R327-S339 PolarHBondContact O-OG 2.82Å; R327-D341 WeakPolarHBondContact CB-OD1 3.43Å; R327-D341 PolarHBondContact N-OD1 2.69Å; R327-D344 IonicContact CZ-OD2 2.75Å; R327-D344 IonicContact NH1-OD2 3.86Å; R327-D344 PolarHBondContact NH1-OD2 3.45Å; R327-R451 HydrophobicContact CG-CB 4.5Å |
| 328 | L | 48.8 | Very low | 43.2 | Very low | 5 Ų | 5 | 76.2 Ų | 76.2 | 3% | 0.026 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 128.3 | 162.7 | -168.8 | 79.7 | 0 | 0 | 0 | 107.9 | G326 W336 E337 W338 R451 L473 | G326-L328 PolarHBondContact O-N 2.86Å; L328-W336 HydrophobicContact CD1-CB 4.16Å; L328-W336 HydrophobicContact CD2-CB 4.19Å; L328-W336 HydrophobicContact CD2-CD2 3.98Å; L328-W336 HydrophobicContact CD2-CE3 3.54Å; L328-W336 HydrophobicContact CD2-CG 4.3Å; L328-W336 HydrophobicContact CD2-CZ3 4.16Å; L328-W336 HydrophobicContact CG-CB 4.34Å; L328-W336 HydrophobicContact CG-CE3 3.82Å; L328-E337 WeakPolarHBondContact CD1-O 3.42Å; L328-W338 HydrophobicContact CB-CD2 4.2Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CH2 4Å; L328-W338 HydrophobicContact CB-CZ2 4.47Å; L328-W338 HydrophobicContact CB-CZ3 3.62Å; L328-W338 HydrophobicContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CE2 3.44Å; L328-W338 HydrophobicContact CD1-CE3 3.94Å; L328-W338 HydrophobicContact CD1-CG 3.76Å; L328-W338 HydrophobicContact CD1-CH2 4.24Å; L328-W338 HydrophobicContact CD1-CZ2 3.84Å; L328-W338 HydrophobicContact CD1-CZ3 4.3Å; L328-W338 HydrophobicContact CG-CD2 4.44Å; L328-W338 HydrophobicContact CG-CE3 4.45Å; L328-W338 HydrophobicContact CG-CZ3 4.49Å; L328-R451 VanDerWaalsContact O-O 3.12Å; L328-L473 HydrophobicContact CD2-CD1 3.38Å; L328-L473 HydrophobicContact CD2-CD2 3.94Å; L328-L473 HydrophobicContact CD2-CG 4.26Å |
| 329 | H | 49.5 | Very low | 43 | Very low | 71 Ų | 71 | 75.3 Ų | 75.3 | 33% | 0.329 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 160.8 | 173.7 | 74.1 | 90.8 | 0 | 0 | 0 | 111.2 | R327 W336 E337 | R327-H329 PolarHBondContact O-N 2.88Å; H329-W336 WeakPolarHBondContact O-CA 3.45Å; H329-E337 PolarHBondContact N-O 2.8Å; H329-E337 PolarHBondContact O-N 3.24Å |
| 330 | K | 47.4 | Very low | 43.4 | Very low | 84 Ų | 84 | 68.5 Ų | 68.5 | 37% | 0.365 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.4 | 172.4 | -147.3 | 164.3 | -171.8 | 168 | 0 | 108.4 | G335 W336 E467 | K330-G335 CarbonylContact C-O 3.56Å; K330-G335 VanDerWaalsContact CA-O 3.28Å; K330-G335 WeakPolarHBondContact CA-O 3.2Å; K330-G335 WeakPolarHBondContact CG-O 3.43Å; K330-W336 HydrophobicContact CB-CE3 4.33Å; K330-W336 HydrophobicContact CB-CZ3 4.27Å; K330-W336 HydrophobicContact CD-CZ2 4.36Å; K330-E467 IonicContact NZ-OE1 3.48Å; K330-E467 PolarHBondContact NZ-OE1 3.03Å; K330-E467 IonicContact NZ-OE2 3.66Å; K330-E467 PolarHBondContact NZ-OE2 3.14Å |
| 331 | T | 52.1 | Low | 43.8 | Very low | 27 Ų | 27 | 64.5 Ų | 64.5 | 17% | 0.166 | 37% | 0.367 | C | S | . | . | trans | -85 | 164.2 | 173.7 | 36.1 | 0 | 0 | 0 | 0 | 111.1 | D333 G334 G335 E337 | T331-D333 VanDerWaalsContact CB-OD1 3.22Å; T331-D333 WeakPolarHBondContact CB-OD1 3.14Å; T331-D333 PolarHBondContact O-N 2.85Å; T331-D333 VanDerWaalsContact O-N 3.15Å; T331-D333 PolarHBondContact OG1-OD1 2.83Å; T331-G334 PolarHBondContact O-N 2.86Å; T331-G335 PolarHBondContact N-O 3.03Å; T331-G335 WeakPolarHBondContact OG1-CA 3.43Å; T331-G335 PolarHBondContact OG1-N 3.41Å; T331-G335 PolarHBondContact OG1-O 3.32Å; T331-E337 HydrophobicContact CG2-CB 3.96Å; T331-E337 HydrophobicContact CG2-CG 3.75Å | ||
| 332 | E | 45.6 | Very low | 44.5 | Very low | 166 Ų | 166 | 65.3 Ų | 65.3 | 78% | 0.776 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25 | -179.2 | -62.4 | -163.4 | 134.7 | 0 | 0 | 113.5 | H228 G334 | H228-E332 PolarHBondContact CD2-O 2.65Å; E332-G334 VanDerWaalsContact C-N 3.26Å; E332-G334 PolarHBondContact O-N 2.8Å |
| 333 | D | 46.5 | Very low | 45.3 | Very low | 48 Ų | 48 | 63.6 Ų | 63.6 | 26% | 0.257 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -5 | 174.7 | 62.5 | 6.1 | 0 | 0 | 0 | 113.9 | K105 T331 G335 | K105-D333 WeakPolarHBondContact CE-OD2 3.42Å; K105-D333 IonicContact NZ-OD2 3.78Å; K105-D333 PolarHBondContact NZ-OD2 3.36Å; T331-D333 VanDerWaalsContact CB-OD1 3.22Å; T331-D333 WeakPolarHBondContact CB-OD1 3.14Å; T331-D333 PolarHBondContact O-N 2.85Å; T331-D333 VanDerWaalsContact O-N 3.15Å; T331-D333 PolarHBondContact OG1-OD1 2.83Å; D333-G335 PolarHBondContact OD1-N 3.03Å |
| 334 | G | 43.4 | Very low | 46.3 | Very low | 35 Ų | 35 | 61.5 Ų | 61.5 | 36% | 0.361 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 86.5 | 1.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | T331 E332 | T331-G334 PolarHBondContact O-N 2.86Å; E332-G334 VanDerWaalsContact C-N 3.26Å; E332-G334 PolarHBondContact O-N 2.8Å |
| 335 | G | 43.7 | Very low | 47.2 | Very low | 29 Ų | 29 | 64.8 Ų | 64.8 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | trans | -67.8 | 170.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K330 T331 D333 | K330-G335 CarbonylContact C-O 3.56Å; K330-G335 VanDerWaalsContact CA-O 3.28Å; K330-G335 WeakPolarHBondContact CA-O 3.2Å; K330-G335 WeakPolarHBondContact CG-O 3.43Å; T331-G335 PolarHBondContact N-O 3.03Å; T331-G335 WeakPolarHBondContact OG1-CA 3.43Å; T331-G335 PolarHBondContact OG1-N 3.41Å; T331-G335 PolarHBondContact OG1-O 3.32Å; D333-G335 PolarHBondContact OD1-N 3.03Å | ||
| 336 | W | 50.5 | Low | 47.9 | Very low | 78 Ų | 78 | 70 Ų | 70 | 30% | 0.295 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.5 | 171.1 | -71.2 | 105.5 | 0 | 0 | 0 | 108.5 | L328 H329 K330 E467 A471 | L328-W336 HydrophobicContact CD1-CB 4.16Å; L328-W336 HydrophobicContact CD2-CB 4.19Å; L328-W336 HydrophobicContact CD2-CD2 3.98Å; L328-W336 HydrophobicContact CD2-CE3 3.54Å; L328-W336 HydrophobicContact CD2-CG 4.3Å; L328-W336 HydrophobicContact CD2-CZ3 4.16Å; L328-W336 HydrophobicContact CG-CB 4.34Å; L328-W336 HydrophobicContact CG-CE3 3.82Å; H329-W336 WeakPolarHBondContact O-CA 3.45Å; K330-W336 HydrophobicContact CB-CE3 4.33Å; K330-W336 HydrophobicContact CB-CZ3 4.27Å; K330-W336 HydrophobicContact CD-CZ2 4.36Å; W336-E467 HydrophobicContact CZ2-CB 4.38Å; W336-A471 HydrophobicContact CG-CB 4.44Å |
| 337 | E | 48.9 | Very low | 48.6 | Very low | 83 Ų | 83 | 70.9 Ų | 70.9 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 146.1 | 175.7 | -67.2 | -171.9 | -173.7 | 0 | 0 | 109.8 | K105 L328 H329 T331 | K105-E337 IonicContact NZ-OE1 2.68Å; K105-E337 PolarHBondContact NZ-OE1 2.74Å; L328-E337 WeakPolarHBondContact CD1-O 3.42Å; H329-E337 PolarHBondContact N-O 2.8Å; H329-E337 PolarHBondContact O-N 3.24Å; T331-E337 HydrophobicContact CG2-CB 3.96Å; T331-E337 HydrophobicContact CG2-CG 3.75Å |
| 338 | W | 48.1 | Very low | 49 | Very low | 91 Ų | 91 | 72.2 Ų | 72.2 | 35% | 0.345 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118 | 171.8 | -63.5 | 93.1 | 0 | 0 | 0 | 108 | G326 L328 L473 | G326-W338 VanDerWaalsContact O-CZ3 3.27Å; G326-W338 WeakPolarHBondContact O-CZ3 3.41Å; L328-W338 HydrophobicContact CB-CD2 4.2Å; L328-W338 HydrophobicContact CB-CE3 3.73Å; L328-W338 HydrophobicContact CB-CH2 4Å; L328-W338 HydrophobicContact CB-CZ2 4.47Å; L328-W338 HydrophobicContact CB-CZ3 3.62Å; L328-W338 HydrophobicContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CD2 3.48Å; L328-W338 VanDerWaalsContact CD1-CE2 3.44Å; L328-W338 HydrophobicContact CD1-CE3 3.94Å; L328-W338 HydrophobicContact CD1-CG 3.76Å; L328-W338 HydrophobicContact CD1-CH2 4.24Å; L328-W338 HydrophobicContact CD1-CZ2 3.84Å; L328-W338 HydrophobicContact CD1-CZ3 4.3Å; L328-W338 HydrophobicContact CG-CD2 4.44Å; L328-W338 HydrophobicContact CG-CE3 4.45Å; L328-W338 HydrophobicContact CG-CZ3 4.49Å; W338-L473 HydrophobicContact CH2-CD2 4.04Å; W338-L473 HydrophobicContact CZ2-CD2 3.94Å |
| 339 | S | 50 | Low | 49.1 | Very low | 35 Ų | 35 | 77.4 Ų | 77.4 | 25% | 0.245 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 132.5 | 160.8 | 54.4 | 0 | 0 | 0 | 0 | 109.1 | G326 R327 | G326-S339 CarbonylContact C-O 3.57Å; G326-S339 WeakPolarHBondContact CA-O 3.42Å; R327-S339 WeakPolarHBondContact CB-OG 3.37Å; R327-S339 PolarHBondContact N-O 2.84Å; R327-S339 VanDerWaalsContact N-O 3.11Å; R327-S339 PolarHBondContact O-N 3.01Å; R327-S339 PolarHBondContact O-OG 2.82Å |
| 340 | D | 50 | Low | 49.4 | Very low | 62 Ų | 62 | 74.1 Ų | 74.1 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 126 | 172.6 | -63.1 | -46 | 0 | 0 | 0 | 109.2 | E342 F343 | D340-E342 PolarHBondContact O-N 2.82Å; D340-F343 HydrophobicContact CB-CD2 3.84Å; D340-F343 HydrophobicContact CB-CE2 4.13Å; D340-F343 PolarHBondContact O-N 2.89Å; D340-F343 VanDerWaalsContact O-N 3.07Å |
| 341 | D | 48.7 | Very low | 50.1 | Low | 26 Ų | 26 | 74.5 Ų | 74.5 | 14% | 0.139 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -64 | -18.1 | -168.1 | -65.3 | -18.3 | 0 | 0 | 0 | 113.5 | S325 R327 F343 | S325-D341 PolarHBondContact OG-OD2 2.94Å; S325-D341 VanDerWaalsContact OG-OD2 3.11Å; R327-D341 WeakPolarHBondContact CB-OD1 3.43Å; R327-D341 PolarHBondContact N-OD1 2.69Å; D341-F343 PolarHBondContact O-N 2.99Å |
| 342 | E | 45.8 | Very low | 50.5 | Low | 112 Ų | 112 | 75 Ų | 75 | 52% | 0.523 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -67.9 | -11.6 | 173.6 | -70.3 | -167.3 | 131 | 0 | 0 | 114.7 | D340 | D340-E342 PolarHBondContact O-N 2.82Š|
| 343 | F | 46.9 | Very low | 51.1 | Low | 88 Ų | 88 | 67.4 Ų | 67.4 | 39% | 0.386 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -107.4 | 0.2 | -176.8 | -64.3 | -91.9 | 0 | 0 | 0 | 114.5 | D340 D341 E345 P360 | D340-F343 HydrophobicContact CB-CD2 3.84Å; D340-F343 HydrophobicContact CB-CE2 4.13Å; D340-F343 PolarHBondContact O-N 2.89Å; D340-F343 VanDerWaalsContact O-N 3.07Å; D341-F343 PolarHBondContact O-N 2.99Å; F343-E345 PolarHBondContact O-N 2.88Å; F343-P360 HydrophobicContact CE1-CB 4.43Å; F343-P360 HydrophobicContact CE1-CG 3.96Å; F343-P360 HydrophobicContact CZ-CG 4.04Å |
| 344 | D | 52.6 | Low | 51.7 | Low | 37 Ų | 37 | 68.6 Ų | 68.6 | 20% | 0.198 | 35% | 0.348 | C | S | . | . | trans | -91.5 | 96.7 | 177.1 | -172.7 | -15.3 | 0 | 0 | 0 | 110 | R327 E346 S347 G350 | R327-D344 IonicContact CZ-OD2 2.75Å; R327-D344 IonicContact NH1-OD2 3.86Å; R327-D344 PolarHBondContact NH1-OD2 3.45Å; D344-E346 PolarHBondContact O-N 2.83Å; D344-E346 VanDerWaalsContact O-N 3.08Å; D344-E346 PolarHBondContact OD1-N 2.71Å; D344-S347 PolarHBondContact O-N 2.71Å; D344-S347 PolarHBondContact O-OG 2.87Å; D344-G350 WeakPolarHBondContact O-CA 3.47Å | ||
| 345 | E | 50.8 | Low | 52.6 | Low | 114 Ų | 114 | 71.4 Ų | 71.4 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.2 | -174.8 | -54.6 | -174.9 | -175.3 | 0 | 0 | 113.2 | F343 I354 | F343-E345 PolarHBondContact O-N 2.88Å; E345-I354 HydrophobicContact CB-CD1 4.07Å; E345-I354 HydrophobicContact CG-CD1 4.11Å |
| 346 | E | 52.1 | Low | 53.5 | Low | 167 Ų | 167 | 75 Ų | 75 | 78% | 0.78 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -13.3 | 176.9 | -60.2 | -170 | 168.8 | 0 | 0 | 113.6 | D344 K351 | D344-E346 PolarHBondContact O-N 2.83Å; D344-E346 VanDerWaalsContact O-N 3.08Å; D344-E346 PolarHBondContact OD1-N 2.71Å; E346-K351 WeakPolarHBondContact O-CE 3.43Å; E346-K351 PolarHBondContact O-NZ 2.96Å |
| 347 | S | 55.9 | Low | 53.6 | Low | 24 Ų | 24 | 78 Ų | 78 | 17% | 0.168 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -78.2 | 160.1 | 177.7 | 74.6 | 0 | 0 | 0 | 0 | 112.8 | D344 G350 K351 | D344-S347 PolarHBondContact O-N 2.71Å; D344-S347 PolarHBondContact O-OG 2.87Å; S347-G350 PolarHBondContact O-N 3.35Å; S347-G350 PolarHBondContact OG-N 3.22Å; S347-K351 WeakPolarHBondContact O-CD 3.3Å; S347-K351 WeakPolarHBondContact O-CE 3.28Å; S347-K351 VanDerWaalsContact O-CG 3.24Å; S347-K351 WeakPolarHBondContact O-CG 3.24Å; S347-K351 PolarHBondContact O-N 3.48Å |
| 348 | E | 52.7 | Low | 53.5 | Low | 134 Ų | 134 | 82.1 Ų | 82.1 | 63% | 0.626 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -70 | -37.9 | 175.8 | -68.1 | -60.3 | 110.6 | 0 | 0 | 111.3 | K351 A352 | E348-K351 PolarHBondContact O-N 3.22Å; E348-K351 WeakPolarHBondContact OE1-CD 3.26Å; E348-K351 IonicContact OE1-NZ 2.67Å; E348-K351 PolarHBondContact OE1-NZ 3.45Å; E348-A352 WeakPolarHBondContact O-CB 3.34Å; E348-A352 PolarHBondContact O-N 2.76Å |
| 349 | E | 50 | Low | 53.2 | Low | 114 Ų | 114 | 78.5 Ų | 78.5 | 53% | 0.533 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 170.8 | -70.2 | 81.3 | 179.4 | 0 | 0 | 112.2 | A352 A353 | E349-A352 CarbonylContact O-C 3.6Å; E349-A352 WeakPolarHBondContact O-CB 3.42Å; E349-A352 PolarHBondContact O-N 2.94Å; E349-A353 WeakPolarHBondContact O-CB 3.46Å; E349-A353 PolarHBondContact O-N 3.49Å |
| 350 | G | 56.5 | Low | 52.9 | Low | 2 Ų | 2 | 81.7 Ų | 81.7 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.4 | -43.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | D344 S347 A352 A353 I354 | D344-G350 WeakPolarHBondContact O-CA 3.47Å; S347-G350 PolarHBondContact O-N 3.35Å; S347-G350 PolarHBondContact OG-N 3.22Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 2.91Å; G350-A353 PolarHBondContact O-N 2.85Å; G350-A353 VanDerWaalsContact O-N 3.17Å; G350-I354 VanDerWaalsContact O-CG1 3.3Å; G350-I354 WeakPolarHBondContact O-CG1 3.44Å; G350-I354 PolarHBondContact O-N 3.34Å |
| 351 | K | 60.9 | Low | 52.3 | Low | 93 Ų | 93 | 86.8 Ų | 86.8 | 40% | 0.404 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 170.8 | -68.4 | 161.4 | -150.8 | 160.3 | 0 | 111.6 | E346 S347 E348 S355 | E346-K351 WeakPolarHBondContact O-CE 3.43Å; E346-K351 PolarHBondContact O-NZ 2.96Å; S347-K351 WeakPolarHBondContact O-CD 3.3Å; S347-K351 WeakPolarHBondContact O-CE 3.28Å; S347-K351 VanDerWaalsContact O-CG 3.24Å; S347-K351 WeakPolarHBondContact O-CG 3.24Å; S347-K351 PolarHBondContact O-N 3.48Å; E348-K351 PolarHBondContact O-N 3.22Å; E348-K351 WeakPolarHBondContact OE1-CD 3.26Å; E348-K351 IonicContact OE1-NZ 2.67Å; E348-K351 PolarHBondContact OE1-NZ 3.45Å; K351-S355 WeakPolarHBondContact O-CB 3.31Å; K351-S355 PolarHBondContact O-N 3.38Å; K351-S355 PolarHBondContact O-OG 3.35Å |
| 352 | A | 61.5 | Low | 51.9 | Low | 36 Ų | 36 | 89.2 Ų | 89.2 | 30% | 0.298 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | E348 E349 G350 I354 S355 Q356 | E348-A352 WeakPolarHBondContact O-CB 3.34Å; E348-A352 PolarHBondContact O-N 2.76Å; E349-A352 CarbonylContact O-C 3.6Å; E349-A352 WeakPolarHBondContact O-CB 3.42Å; E349-A352 PolarHBondContact O-N 2.94Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 2.91Å; A352-I354 PolarHBondContact O-N 2.82Å; A352-S355 WeakPolarHBondContact CA-OG 3.32Å; A352-S355 PolarHBondContact O-N 3.42Å; A352-S355 PolarHBondContact O-OG 3.46Å; A352-Q356 VanDerWaalsContact O-CB 3.29Å; A352-Q356 WeakPolarHBondContact O-CB 3.31Å; A352-Q356 VanDerWaalsContact O-CG 3.25Å; A352-Q356 WeakPolarHBondContact O-CG 3.36Å; A352-Q356 PolarHBondContact O-N 2.99Å |
| 353 | A | 56.6 | Low | 51.5 | Low | 7 Ų | 7 | 93 Ų | 93 | 6% | 0.058 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | E349 G350 L357 R358 S359 | E349-A353 WeakPolarHBondContact O-CB 3.46Å; E349-A353 PolarHBondContact O-N 3.49Å; G350-A353 PolarHBondContact O-N 2.85Å; G350-A353 VanDerWaalsContact O-N 3.17Å; A353-L357 PolarHBondContact O-N 2.82Å; A353-R358 PolarHBondContact O-N 3.21Å; A353-S359 PolarHBondContact O-N 3.2Å |
| 354 | I | 59.2 | Low | 50.7 | Low | 74 Ų | 74 | 97.1 Ų | 97.1 | 38% | 0.379 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.2 | -51.4 | 172.7 | -68.9 | 164.3 | 0 | 0 | 0 | 110.4 | E345 G350 A352 Q356 L357 | E345-I354 HydrophobicContact CB-CD1 4.07Å; E345-I354 HydrophobicContact CG-CD1 4.11Å; G350-I354 VanDerWaalsContact O-CG1 3.3Å; G350-I354 WeakPolarHBondContact O-CG1 3.44Å; G350-I354 PolarHBondContact O-N 3.34Å; A352-I354 PolarHBondContact O-N 2.82Å; I354-Q356 PolarHBondContact O-N 2.8Å; I354-L357 PolarHBondContact O-N 3.15Å; I354-L357 VanDerWaalsContact O-N 3.09Å |
| 355 | S | 64 | Low | 49.7 | Very low | 93 Ų | 93 | 100.9 Ų | 100.9 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.3 | -21.8 | -179.5 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | K351 A352 | K351-S355 WeakPolarHBondContact O-CB 3.31Å; K351-S355 PolarHBondContact O-N 3.38Å; K351-S355 PolarHBondContact O-OG 3.35Å; A352-S355 WeakPolarHBondContact CA-OG 3.32Å; A352-S355 PolarHBondContact O-N 3.42Å; A352-S355 PolarHBondContact O-OG 3.46Å |
| 356 | Q | 62.7 | Low | 48.8 | Very low | 106 Ų | 106 | 101.9 Ų | 101.9 | 50% | 0.495 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 5.7 | 173.1 | -66.9 | 178.5 | 36.3 | 0 | 0 | 114.3 | A352 I354 R358 | A352-Q356 VanDerWaalsContact O-CB 3.29Å; A352-Q356 WeakPolarHBondContact O-CB 3.31Å; A352-Q356 VanDerWaalsContact O-CG 3.25Å; A352-Q356 WeakPolarHBondContact O-CG 3.36Å; A352-Q356 PolarHBondContact O-N 2.99Å; I354-Q356 PolarHBondContact O-N 2.8Å; Q356-R358 HydrophobicContact CB-CG 4.13Å; Q356-R358 PolarHBondContact O-N 3.16Å |
| 357 | L | 52.3 | Low | 47.8 | Very low | 141 Ų | 141 | 99.3 Ų | 99.3 | 74% | 0.738 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 30.4 | -176.8 | -77.3 | 130.7 | 0 | 0 | 0 | 114.2 | A353 I354 V362 | A353-L357 PolarHBondContact O-N 2.82Å; I354-L357 PolarHBondContact O-N 3.15Å; I354-L357 VanDerWaalsContact O-N 3.09Å; L357-V362 HydrophobicContact CD2-CG1 4.23Å |
| 358 | R | 45.9 | Very low | 46.6 | Very low | 168 Ų | 168 | 105 Ų | 105 | 63% | 0.634 | 54% | 0.544 | S | S | * | . | trans | -94.1 | -19.2 | 179.8 | -69.5 | -177.5 | 178.4 | -176.9 | 1.7 | 114.1 | A353 Q356 P360 | A353-R358 PolarHBondContact O-N 3.21Å; Q356-R358 HydrophobicContact CB-CG 4.13Å; Q356-R358 PolarHBondContact O-N 3.16Å; R358-P360 WeakPolarHBondContact O-CD 3.22Å | ||
| 359 | S | 42.8 | Very low | 45.8 | Very low | 15 Ų | 15 | 104 Ų | 104 | 11% | 0.105 | 55% | 0.551 | C | S | . | * | trans | -64 | 123.4 | 178.8 | 175.8 | 0 | 0 | 0 | 0 | 112.1 | A353 R361 V362 | A353-S359 PolarHBondContact O-N 3.2Å; S359-R361 PolarHBondContact O-N 3Å; S359-R361 PolarHBondContact OG-N 2.85Å; S359-V362 PolarHBondContact O-N 3.34Å | ||
| 360 | P | 43.9 | Very low | 44.9 | Very low | 102 Ų | 102 | 107.1 Ų | 107.1 | 66% | 0.662 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 4.5 | 177.1 | -23.1 | 35.1 | 0 | 0 | 0 | 115.7 | F343 R358 | F343-P360 HydrophobicContact CE1-CB 4.43Å; F343-P360 HydrophobicContact CE1-CG 3.96Å; F343-P360 HydrophobicContact CZ-CG 4.04Å; R358-P360 WeakPolarHBondContact O-CD 3.22Å |
| 361 | R | 37.2 | Very low | 43.9 | Very low | 169 Ų | 169 | 115.3 Ų | 115.3 | 64% | 0.638 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.1 | -1.6 | 179.2 | -77.6 | -175.4 | 174.8 | 166.2 | 1.7 | 114.8 | S359 K363 | S359-R361 PolarHBondContact O-N 3Å; S359-R361 PolarHBondContact OG-N 2.85Å; R361-K363 VanDerWaalsContact C-N 3.34Å; R361-K363 PolarHBondContact O-N 3.39Å |
| 362 | V | 39.1 | Very low | 42.7 | Very low | 77 Ų | 77 | 120 Ų | 120 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | trans | -65.7 | 94.2 | 172.3 | -177.3 | 0 | 0 | 0 | 0 | 109.3 | L357 S359 E364 | L357-V362 HydrophobicContact CD2-CG1 4.23Å; S359-V362 PolarHBondContact O-N 3.34Å; V362-E364 PolarHBondContact O-N 2.9Å | ||
| 363 | K | 37.4 | Very low | 41.5 | Very low | 193 Ų | 193 | 123.5 Ų | 123.5 | 84% | 0.839 | 65% | 0.649 | S | S | * | * | trans | -66.6 | 124.8 | 168.8 | -72.2 | 179.7 | 177.4 | 175.9 | 0 | 108.5 | R361 S365 | R361-K363 VanDerWaalsContact C-N 3.34Å; R361-K363 PolarHBondContact O-N 3.39Å; K363-S365 PolarHBondContact O-N 2.77Å | ||
| 364 | E | 30.4 | Very low | 40.4 | Very low | 174 Ų | 174 | 129 Ų | 129 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | trans | -57.8 | 112.2 | 166.6 | -65.7 | -177 | 133.3 | 0 | 0 | 109.3 | V362 I366 | V362-E364 PolarHBondContact O-N 2.9Å; E364-I366 VanDerWaalsContact C-N 3.29Å; E364-I366 PolarHBondContact O-N 2.89Å | ||
| 365 | S | 31.7 | Very low | 39.3 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | trans | -77.1 | 81.6 | 176.1 | 48.7 | 0 | 0 | 0 | 0 | 109.7 | K363 S367 | K363-S365 PolarHBondContact O-N 2.77Å; S365-S367 PolarHBondContact O-N 3.37Å | ||
| 366 | I | 32 | Very low | 38 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | trans | -60.5 | 97.1 | 175.8 | -59.7 | 177.7 | 0 | 0 | 0 | 109.4 | E364 N368 | E364-I366 VanDerWaalsContact C-N 3.29Å; E364-I366 PolarHBondContact O-N 2.89Å; I366-N368 PolarHBondContact O-N 2.62Å; I366-N368 VanDerWaalsContact O-N 3.14Å | ||
| 367 | S | 32.1 | Very low | 36.7 | Very low | 113 Ų | 113 | 134 Ų | 134 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | -82.4 | 83.6 | -176.5 | 175.7 | 0 | 0 | 0 | 0 | 111.6 | S365 S369 | S365-S367 PolarHBondContact O-N 3.37Å; S367-S369 PolarHBondContact O-N 3.22Å | ||
| 368 | N | 29 | Very low | 36.1 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 77% | 0.765 | 72% | 0.722 | S | S | * | * | trans | -80.1 | 97.9 | 171.1 | -81.2 | -9.7 | 0 | 0 | 0 | 111.5 | I366 | I366-N368 PolarHBondContact O-N 2.62Å; I366-N368 VanDerWaalsContact O-N 3.14Å | ||
| 369 | S | 36.2 | Very low | 35.5 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | trans | -159.9 | 101.7 | 155 | -79.4 | 0 | 0 | 0 | 0 | 111.6 | S367 | S367-S369 PolarHBondContact O-N 3.22Š| ||
| 370 | E | 31.8 | Very low | 35.1 | Very low | 180 Ų | 180 | 134.5 Ų | 134.5 | 84% | 0.841 | 76% | 0.757 | S | S | * | * | trans | 6.6 | 120.6 | 156.2 | -52.6 | -177.4 | 144 | 0 | 0 | 120.1 | ||||
| 371 | L | 34.7 | Very low | 34.4 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 92% | 0.916 | 76% | 0.761 | S | S | * | * | -168.5 | 158.5 | 115.3 | -100.5 | 155.5 | 0 | 0 | 0 | 111.4 | |||||
| 372 | F | 37.1 | Very low | 34.1 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -96.1 | 166.1 | -160.5 | -86.1 | -93.1 | 0 | 0 | 0 | 115.3 | ||||
| 373 | P | 35.4 | Very low | 33.8 | Very low | 108 Ų | 108 | 140 Ų | 140 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -121.1 | -178.4 | -147.7 | 45.2 | -37.9 | 0 | 0 | 0 | 116.2 | ||||
| 374 | T | 33.8 | Very low | 33.6 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | trans | -157.1 | 130.3 | 149.4 | 44.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 375 | T | 36.2 | Very low | 33.9 | Very low | 117 Ų | 117 | 133.8 Ų | 133.8 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | 49 | 144.2 | 142.7 | 64.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 376 | D | 36 | Very low | 34 | Very low | 148 Ų | 148 | 135.6 Ų | 135.6 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | cis | -167.2 | 162.9 | -18.7 | -102.9 | -39 | 0 | 0 | 0 | 109.7 | ||||
| 377 | P | 36.7 | Very low | 34.1 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -119.9 | 148.8 | -163.8 | 40.2 | -29.7 | 0 | 0 | 0 | 118.4 | ||||
| 378 | V | 38.1 | Very low | 34.3 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 87% | 0.867 | 77% | 0.769 | S | S | * | * | trans | -149.1 | 125 | 161.1 | -178.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 379 | G | 33.5 | Very low | 34.5 | Very low | 68 Ų | 68 | 136.5 Ų | 136.5 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | 84.6 | 148.2 | 83.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 380 | T | 33.9 | Very low | 34.3 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | cis | -167.6 | 130.5 | 4.8 | -79 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 381 | L | 30.9 | Very low | 34.5 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | 36.8 | 144.2 | 153 | -81.6 | 107.8 | 0 | 0 | 0 | 125.4 | ||||
| 382 | L | 30.3 | Very low | 34.5 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 73.4 | 154.7 | 153.5 | -63.8 | 159.9 | 0 | 0 | 0 | 117 | ||||
| 383 | Q | 32.6 | Very low | 34.5 | Very low | 172 Ų | 172 | 131 Ų | 131 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | cis | -157 | 172.2 | 23.3 | -147.9 | 159.6 | 15.7 | 0 | 0 | 113.5 | ||||
| 384 | V | 33 | Very low | 34.4 | Very low | 131 Ų | 131 | 134 Ų | 134 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | -137.9 | 146.1 | 174.9 | -167.8 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 385 | P | 37 | Very low | 35 | Very low | 104 Ų | 104 | 133.3 Ų | 133.3 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | -160 | -175.1 | 53.8 | 42.7 | -18 | 0 | 0 | 0 | 120.7 | |||||
| 386 | E | 34.2 | Very low | 35.1 | Very low | 155 Ų | 155 | 132.8 Ų | 132.8 | 72% | 0.724 | 77% | 0.769 | S | S | * | * | trans | 83.3 | 139.4 | 136.1 | -98.1 | 177.7 | -136.6 | 0 | 0 | 126.3 | ||||
| 387 | Q | 34 | Very low | 35 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | 111.1 | 143.4 | 127.2 | -99.3 | -173.8 | 60.3 | 0 | 0 | 124.1 | |||||
| 388 | I | 36 | Very low | 35 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 73% | 0.728 | 78% | 0.777 | S | S | * | * | trans | 87.8 | 88.1 | 156.9 | -59.5 | 148.3 | 0 | 0 | 0 | 121.1 | ||||
| 389 | S | 32.2 | Very low | 34.9 | Very low | 115 Ų | 115 | 135 Ų | 135 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | 38.4 | 131.6 | 117.8 | -95.9 | 0 | 0 | 0 | 0 | 126.3 | |||||
| 390 | A | 33.1 | Very low | 35.5 | Very low | 84 Ų | 84 | 136.3 Ų | 136.3 | 69% | 0.694 | 77% | 0.773 | S | S | * | * | 76.7 | 123.2 | 124.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 391 | H | 36.4 | Very low | 35.8 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | -165.7 | 164.6 | 116.9 | -110.9 | -73.8 | 0 | 0 | 0 | 113 | |||||
| 392 | L | 34.9 | Very low | 36.2 | Very low | 138 Ų | 138 | 138.3 Ų | 138.3 | 72% | 0.723 | 78% | 0.779 | S | S | * | * | trans | -150.7 | 150 | -176.5 | -132.5 | 171 | 0 | 0 | 0 | 109.4 | ||||
| 393 | P | 36.4 | Very low | 36.8 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | -148.9 | -179.8 | 128.8 | 36.4 | -18.1 | 0 | 0 | 0 | 116.7 | |||||
| 394 | Q | 33.1 | Very low | 36.9 | Very low | 172 Ų | 172 | 134.9 Ų | 134.9 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -154.6 | -174.7 | -174.7 | -110.7 | -165.6 | 24.2 | 0 | 0 | 108.2 | ||||
| 395 | P | 46.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -138.7 | -147.3 | -35.8 | 40.5 | -20.5 | 0 | 0 | 0 | 112.8 | ||||
| 396 | A | 37.4 | Very low | 36.6 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | 91.2 | 140.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 397 | G | 35.1 | Very low | 36.5 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -170.2 | -170 | -2.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 398 | Q | 36.6 | Very low | 36.7 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 93% | 0.93 | 79% | 0.793 | S | S | * | * | cis | -147.1 | -128.9 | 1.3 | -65.4 | -171.6 | -21.3 | 0 | 0 | 111.8 | ||||
| 399 | M | 34.6 | Very low | 36.8 | Very low | 176 Ų | 176 | 135.3 Ų | 135.3 | 87% | 0.867 | 80% | 0.795 | S | S | * | * | trans | -168.6 | -176.1 | -170.6 | -116.9 | -160.5 | -61.1 | 0 | 0 | 110.9 | ||||
| 400 | P | 46.6 | Very low | 37.1 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 62% | 0.623 | 79% | 0.794 | S | S | * | * | cis | -140 | -152.9 | -23.4 | 35.1 | -11.1 | 0 | 0 | 0 | 114.6 | ||||
| 401 | T | 39.7 | Very low | 37.2 | Very low | 126 Ų | 126 | 138.2 Ų | 138.2 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | 87.3 | 148.9 | 163.6 | 74.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 402 | Q | 39.6 | Very low | 37.1 | Very low | 185 Ų | 185 | 133.9 Ų | 133.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | cis | -156.7 | 171 | -19.7 | -112.9 | -165.8 | -10.2 | 0 | 0 | 110.7 | ||||
| 403 | P | 42.9 | Very low | 37.1 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 74% | 0.74 | 81% | 0.808 | S | S | * | * | trans | -119.3 | 163.1 | -163.7 | 42.6 | -34.8 | 0 | 0 | 0 | 118.9 | ||||
| 404 | T | 36 | Very low | 37 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 82% | 0.816 | 81% | 0.807 | S | S | * | * | trans | -169.7 | 168.3 | 164 | 29.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 405 | Q | 31.8 | Very low | 37.1 | Very low | 168 Ų | 168 | 133 Ų | 133 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | cis | -163.4 | 139.6 | -48.6 | -119.5 | -167.2 | -18.2 | 0 | 0 | 109.1 | ||||
| 406 | V | 31.6 | Very low | 36.3 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 75% | 0.745 | 82% | 0.817 | S | S | * | * | trans | 44.2 | 121.1 | 148.5 | -176.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 407 | S | 32.6 | Very low | 36.1 | Very low | 115 Ų | 115 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | -176.2 | 147.4 | 119.6 | 35.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 408 | L | 37.2 | Very low | 35.9 | Very low | 169 Ų | 169 | 139.7 Ų | 139.7 | 89% | 0.885 | 81% | 0.814 | S | S | * | * | trans | -136.2 | 145 | 166.5 | -81.9 | 165.7 | 0 | 0 | 0 | 106.3 | ||||
| 409 | P | 38.1 | Very low | 35.5 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -155.8 | -160.7 | 107.1 | 37.9 | -15.7 | 0 | 0 | 0 | 112.9 | |||||
| 410 | P | 38.9 | Very low | 35.3 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | -126.9 | -170.6 | -67.2 | 39.9 | -24.6 | 0 | 0 | 0 | 113.4 | |||||
| 411 | T | 34.7 | Very low | 34.6 | Very low | 139 Ų | 139 | 140.4 Ų | 140.4 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -68.6 | 156.7 | 179.7 | 48.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 412 | A | 35.4 | Very low | 34.1 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -136.3 | 158.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 413 | E | 33.5 | Very low | 33.6 | Very low | 193 Ų | 193 | 137.2 Ų | 137.2 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -98.9 | 166.6 | -163.8 | -93.7 | -166.6 | 130.7 | 0 | 0 | 116.2 | ||||
| 414 | P | 36 | Very low | 32.9 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -89.4 | 153.1 | -168.8 | 35.3 | -36.7 | 0 | 0 | 0 | 115.4 | ||||
| 415 | A | 34.1 | Very low | 32.5 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 84% | 0.843 | 84% | 0.837 | S | S | * | * | trans | -111.4 | 149 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 416 | K | 29.9 | Very low | 32.3 | Very low | 207 Ų | 207 | 130.4 Ų | 130.4 | 90% | 0.9 | 83% | 0.834 | S | S | * | * | trans | -110 | 123.9 | -177.6 | -63 | 173.4 | -179.2 | 172.3 | 0 | 112.3 | ||||
| 417 | T | 33.8 | Very low | 32.2 | Very low | 136 Ų | 136 | 129.8 Ų | 129.8 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | trans | -149.4 | 97.8 | 161.5 | -39.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 418 | A | 29.7 | Very low | 32.4 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 84% | 0.839 | S | S | * | * | 76.1 | 104.9 | 77.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 419 | Q | 29.4 | Very low | 32.3 | Very low | 199 Ų | 199 | 133.3 Ų | 133.3 | 93% | 0.93 | 83% | 0.834 | S | S | * | * | trans | 35.6 | 115 | 150.8 | -65.9 | 177 | -23.9 | 0 | 0 | 120.8 | ||||
| 420 | A | 30.5 | Very low | 32.4 | Very low | 100 Ų | 100 | 134 Ų | 134 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | -147.8 | 133.5 | 132.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 421 | L | 30.4 | Very low | 33.6 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 98% | 0.979 | 83% | 0.827 | S | S | * | * | trans | -92.4 | 124.8 | 165.7 | -83.1 | 139.1 | 0 | 0 | 0 | 108.2 | ||||
| 422 | S | 30.4 | Very low | 35.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -136.3 | 124.3 | 164.6 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | G424 | S422-G424 PolarHBondContact O-N 3.15Š| ||
| 423 | S | 28.3 | Very low | 38 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | -76.2 | 102.8 | 177.6 | 50.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 424 | G | 28.3 | Very low | 40.6 | Very low | 73 Ų | 73 | 124.5 Ų | 124.5 | 75% | 0.753 | 76% | 0.76 | S | S | * | * | trans | -107 | 111.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S422 G426 | S422-G424 PolarHBondContact O-N 3.15Å; G424-G426 VanDerWaalsContact C-N 3.31Å; G424-G426 PolarHBondContact O-N 2.9Å | ||
| 425 | S | 27.9 | Very low | 43.1 | Very low | 130 Ų | 130 | 121.2 Ų | 121.2 | 91% | 0.909 | 74% | 0.74 | S | S | * | * | trans | -76.2 | 80.1 | 172.3 | 55.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 426 | G | 27.3 | Very low | 45.8 | Very low | 69 Ų | 69 | 116.5 Ų | 116.5 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -84.2 | 124.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | G424 | G424-G426 VanDerWaalsContact C-N 3.31Å; G424-G426 PolarHBondContact O-N 2.9Å | ||
| 427 | S | 29.3 | Very low | 48.6 | Very low | 110 Ų | 110 | 107 Ų | 107 | 77% | 0.769 | 66% | 0.66 | S | S | * | * | trans | -64.3 | 130 | 167.3 | 45.4 | 0 | 0 | 0 | 0 | 110.6 | E429 | S427-E429 PolarHBondContact O-N 3.39Š| ||
| 428 | Q | 37 | Very low | 51.3 | Low | 190 Ų | 190 | 100.6 Ų | 100.6 | 89% | 0.888 | 62% | 0.621 | S | S | * | * | trans | -72.9 | 92.6 | 172.5 | -74.4 | -173.5 | -21.7 | 0 | 0 | 110.3 | T430 | Q428-T430 PolarHBondContact O-N 3.5Å; Q428-T430 VanDerWaalsContact O-N 3.15Å | ||
| 429 | E | 36.2 | Very low | 54.2 | Low | 168 Ų | 168 | 101.1 Ų | 101.1 | 79% | 0.785 | 60% | 0.604 | S | S | * | * | trans | -63.8 | 110.3 | 161 | -70.5 | -171 | 141.4 | 0 | 0 | 108.9 | S427 K431 | S427-E429 PolarHBondContact O-N 3.39Å; E429-K431 PolarHBondContact O-N 3.19Å | ||
| 430 | T | 39.7 | Very low | 57.2 | Low | 132 Ų | 132 | 92.1 Ų | 92.1 | 81% | 0.81 | 56% | 0.562 | S | S | * | * | trans | -70.5 | 93.9 | 174.6 | 49.5 | 0 | 0 | 0 | 0 | 109.4 | Q428 I432 | Q428-T430 PolarHBondContact O-N 3.5Å; Q428-T430 VanDerWaalsContact O-N 3.15Å; T430-I432 PolarHBondContact O-N 2.93Å | ||
| 431 | K | 64.4 | Low | 59.8 | Low | 136 Ų | 136 | 91.1 Ų | 91.1 | 59% | 0.591 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 134.4 | 175.1 | -72.2 | -173.5 | 172.6 | -173.4 | 0 | 110.4 | E429 P456 | E429-K431 PolarHBondContact O-N 3.19Å; K431-P456 HydrophobicContact CB-CB 3.98Å; K431-P456 HydrophobicContact CB-CG 4.14Å; K431-P456 HydrophobicContact CD-CB 3.82Å |
| 432 | I | 79 | Confident | 62 | Low | 144 Ų | 144 | 84.1 Ų | 84.1 | 74% | 0.738 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -63.5 | 137.9 | -177.2 | -54 | 173.8 | 0 | 0 | 0 | 109.2 | T430 P456 | T430-I432 PolarHBondContact O-N 2.93Å; I432-P456 WeakPolarHBondContact O-CD 3.49Å |
| 433 | P | 83.7 | Confident | 63.9 | Low | 57 Ų | 57 | 84.1 Ų | 84.1 | 37% | 0.37 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 139.3 | 171.7 | -23.8 | 34.3 | 0 | 0 | 0 | 112.3 | E453 | P433-E453 HydrophobicContact CB-CB 4.37Š|
| 434 | I | 87.7 | Confident | 66 | Low | 22 Ų | 22 | 85.2 Ų | 85.2 | 11% | 0.113 | 49% | 0.489 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 114.5 | 175.8 | -52.7 | 174.9 | 0 | 0 | 0 | 107.4 | L436 E453 F454 P456 V490 P493 I526 | I434-L436 HydrophobicContact CG2-CD2 4.05Å; I434-L436 HydrophobicContact CG2-CG 4.07Å; I434-E453 CarbonylContact O-C 3.6Å; I434-E453 WeakPolarHBondContact O-CA 3.31Å; I434-F454 PolarHBondContact N-O 3.46Å; I434-F454 PolarHBondContact O-N 3.28Å; I434-P456 HydrophobicContact CD1-CG 3.97Å; I434-P456 HydrophobicContact CG1-CG 4.24Å; I434-V490 HydrophobicContact CD1-CB 4.18Å; I434-V490 HydrophobicContact CD1-CG1 4.2Å; I434-P493 HydrophobicContact CD1-CB 4.46Å; I434-P493 HydrophobicContact CD1-CG 4.47Å; I434-I526 HydrophobicContact CG2-CD1 4.29Å; I434-I526 HydrophobicContact CG2-CG1 4.15Å; I434-I526 HydrophobicContact CG2-CG2 4.17Å |
| 435 | S | 88.8 | Confident | 68.4 | Low | 52 Ų | 52 | 86.7 Ų | 86.7 | 36% | 0.364 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.3 | 171.2 | -73.6 | 0 | 0 | 0 | 0 | 110.2 | I526 S527 | S435-I526 WeakPolarHBondContact O-CA 3.3Å; S435-S527 PolarHBondContact O-N 3.4Å |
| 436 | L | 90 | Very high | 70.8 | Confident | 2 Ų | 2 | 84.2 Ų | 84.2 | 1% | 0.01 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 152.6 | -173.1 | -68.3 | 163.2 | 0 | 0 | 0 | 111.3 | I434 R451 F452 F454 L486 I489 V490 L524 S525 I526 | I434-L436 HydrophobicContact CG2-CD2 4.05Å; I434-L436 HydrophobicContact CG2-CG 4.07Å; L436-R451 CarbonylContact O-C 3.55Å; L436-R451 VanDerWaalsContact O-CA 3.3Å; L436-R451 WeakPolarHBondContact O-CA 3.35Å; L436-F452 HydrophobicContact CB-CD1 4.43Å; L436-F452 HydrophobicContact CB-CD2 4.18Å; L436-F452 HydrophobicContact CB-CE1 4.13Å; L436-F452 HydrophobicContact CB-CE2 3.86Å; L436-F452 HydrophobicContact CB-CG 4.47Å; L436-F452 HydrophobicContact CB-CZ 3.85Å; L436-F452 HydrophobicContact CD1-CD2 4.16Å; L436-F452 HydrophobicContact CD1-CE2 3.48Å; L436-F452 VanDerWaalsContact CD1-CE2 3.48Å; L436-F452 HydrophobicContact CD1-CZ 3.99Å; L436-F452 HydrophobicContact CG-CE2 4.33Å; L436-F452 PolarHBondContact N-O 2.81Å; L436-F452 PolarHBondContact O-N 2.92Å; L436-F454 HydrophobicContact CD1-CB 3.64Å; L436-L486 HydrophobicContact CD1-CD1 3.46Å; L436-L486 VanDerWaalsContact CD1-CD1 3.46Å; L436-I489 HydrophobicContact CD2-CG2 3.72Å; L436-V490 HydrophobicContact CD1-CG1 4.33Å; L436-L524 HydrophobicContact CB-CD1 4.47Å; L436-S525 CarbonylContact C-O 3.56Å; L436-S525 VanDerWaalsContact CA-O 3.28Å; L436-S525 WeakPolarHBondContact CA-O 3.41Å; L436-I526 HydrophobicContact CD2-CG1 3.88Å |
| 437 | V | 89.7 | Confident | 73.4 | Confident | 8 Ų | 8 | 85 Ų | 85 | 5% | 0.048 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 118.7 | 174.5 | -166.5 | 0 | 0 | 0 | 0 | 109.1 | D449 I450 R451 L524 S525 | V437-D449 HydrophobicContact CG1-CB 3.9Å; V437-I450 CarbonylContact C-O 3.59Å; V437-I450 WeakPolarHBondContact CA-O 3.26Å; V437-R451 HydrophobicContact CG1-CG 4.19Å; V437-R451 HydrophobicContact CG2-CG 4.15Å; V437-L524 CarbonylContact O-C 3.49Å; V437-L524 WeakPolarHBondContact O-CA 3.22Å; V437-S525 PolarHBondContact N-O 2.88Å; V437-S525 PolarHBondContact O-N 3.42Å |
| 438 | L | 90.6 | Very high | 75.6 | Confident | 1 Ų | 1 | 81.5 Ų | 81.5 | 1% | 0.005 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 105.8 | 168.3 | 179.1 | 64.8 | 0 | 0 | 0 | 109.1 | I450 F452 L468 V474 V482 F501 A522 Q523 L524 | L438-I450 HydrophobicContact CB-CB 4.36Å; L438-I450 HydrophobicContact CD2-CD1 4.21Å; L438-I450 HydrophobicContact CG-CD1 4.48Å; L438-I450 PolarHBondContact N-O 2.9Å; L438-I450 PolarHBondContact O-N 2.79Å; L438-F452 HydrophobicContact CB-CE1 3.99Å; L438-L468 HydrophobicContact CD2-CD1 3.98Å; L438-V474 HydrophobicContact CD2-CG2 3.69Å; L438-V482 HydrophobicContact CD2-CG1 4.19Å; L438-F501 HydrophobicContact CD1-CE1 4.27Å; L438-F501 HydrophobicContact CD1-CZ 3.86Å; L438-A522 HydrophobicContact CD1-CB 3.95Å; L438-Q523 CarbonylContact C-O 3.46Å; L438-Q523 WeakPolarHBondContact CA-O 3.4Å; L438-L524 HydrophobicContact CB-CD1 3.82Å; L438-L524 HydrophobicContact CD1-CB 4.19Å; L438-L524 HydrophobicContact CD1-CD1 4.2Å |
| 439 | R | 90.9 | Very high | 77.8 | Confident | 99 Ų | 99 | 73.5 Ų | 73.5 | 37% | 0.374 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 122.6 | 175.4 | 178.8 | 175.7 | -73.9 | 171 | -2.1 | 110.4 | L447 N448 D449 L518 A522 Q523 | R439-L447 HydrophobicContact CG-CD2 4.27Å; R439-N448 WeakPolarHBondContact CA-O 3.46Å; R439-D449 WeakPolarHBondContact CB-OD1 3.39Å; R439-D449 VanDerWaalsContact CG-OD1 3.24Å; R439-D449 WeakPolarHBondContact CG-OD1 3.5Å; R439-D449 IonicContact CZ-OD1 2.7Å; R439-D449 IonicContact CZ-OD2 2.77Å; R439-D449 IonicContact NE-OD1 3.39Å; R439-D449 PolarHBondContact NE-OD1 2.9Å; R439-D449 IonicContact NE-OD2 3.43Å; R439-D449 PolarHBondContact NE-OD2 3.07Å; R439-D449 IonicContact NH2-OD1 3.27Å; R439-D449 PolarHBondContact NH2-OD1 2.75Å; R439-D449 IonicContact NH2-OD2 2.72Å; R439-D449 PolarHBondContact NH2-OD2 2.84Å; R439-L518 HydrophobicContact CB-CD1 4.27Å; R439-L518 HydrophobicContact CG-CD1 3.58Å; R439-A522 CarbonylContact O-C 3.56Å; R439-A522 VanDerWaalsContact O-CA 3.31Å; R439-A522 WeakPolarHBondContact O-CA 3.29Å; R439-Q523 HydrophobicContact CB-CB 4.5Å; R439-Q523 PolarHBondContact N-O 3.17Å; R439-Q523 PolarHBondContact O-N 3.05Å |
| 440 | L | 90.5 | Very high | 80 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 167.1 | 176.5 | 79.7 | 177 | 0 | 0 | 0 | 111.7 | N448 I450 V474 A522 | L440-N448 PolarHBondContact N-O 3.36Å; L440-N448 VanDerWaalsContact N-O 3.07Å; L440-N448 PolarHBondContact O-N 3.15Å; L440-I450 HydrophobicContact CD2-CD1 3.57Å; L440-I450 HydrophobicContact CD2-CG1 4.32Å; L440-V474 HydrophobicContact CD1-CG2 4.32Å; L440-A522 HydrophobicContact CB-CB 3.71Å |
| 441 | R | 85.2 | Confident | 81.9 | Confident | 79 Ų | 79 | 63.2 Ų | 63.2 | 30% | 0.298 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 140 | 171.7 | -72.5 | -176.2 | -172.6 | -90.7 | -4.4 | 112 | K445 E446 L447 K517 L518 | R441-K445 PolarHBondContact NH1-O 3.31Å; R441-E446 CarbonylContact C-O 3.56Å; R441-E446 VanDerWaalsContact CA-O 3.26Å; R441-E446 WeakPolarHBondContact CA-O 3.34Å; R441-L447 HydrophobicContact CG-CD2 3.7Å; R441-L447 HydrophobicContact CG-CG 4.08Å; R441-K517 VanDerWaalsContact CZ-O 3.24Å; R441-K517 PolarHBondContact NE-O 3.37Å; R441-K517 PolarHBondContact NH2-O 2.99Å; R441-L518 VanDerWaalsContact CD-O 3.29Å; R441-L518 WeakPolarHBondContact CD-O 3.43Å; R441-L518 WeakPolarHBondContact CG-O 3.26Å; R441-L518 PolarHBondContact NE-O 2.68Å |
| 442 | N | 76.5 | Confident | 82.8 | Confident | 39 Ų | 39 | 57.8 Ų | 57.8 | 21% | 0.209 | 29% | 0.288 | C | S | . | . | trans | -87.9 | 176.8 | 172.3 | 76.4 | 29.8 | 0 | 0 | 0 | 111.6 | K444 K445 E446 N448 | N442-K444 PolarHBondContact O-N 3.29Å; N442-K444 VanDerWaalsContact O-N 3.15Å; N442-K444 WeakPolarHBondContact OD1-CA 3.37Å; N442-K444 WeakPolarHBondContact OD1-CB 3.33Å; N442-K444 PolarHBondContact OD1-N 2.94Å; N442-K445 WeakPolarHBondContact O-CA 3.29Å; N442-K445 PolarHBondContact O-N 2.93Å; N442-K445 PolarHBondContact OD1-N 3.36Å; N442-E446 PolarHBondContact N-O 3.24Å; N442-E446 PolarHBondContact ND2-OE2 2.85Å; N442-E446 PolarHBondContact OD1-N 3.06Å; N442-N448 PolarHBondContact ND2-OD1 2.97Å | ||
| 443 | S | 71 | Confident | 83.1 | Confident | 115 Ų | 115 | 56.6 Ų | 56.6 | 80% | 0.804 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12.6 | -177.8 | 55.2 | 0 | 0 | 0 | 0 | 115.3 | K445 | S443-K445 VanDerWaalsContact C-N 3.3Š|
| 444 | K | 73.6 | Confident | 83.3 | Confident | 153 Ų | 153 | 54.2 Ų | 54.2 | 67% | 0.665 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 4.9 | 168.2 | -56.6 | 176.7 | -177.4 | 171.9 | 0 | 113 | N442 E446 | N442-K444 PolarHBondContact O-N 3.29Å; N442-K444 VanDerWaalsContact O-N 3.15Å; N442-K444 WeakPolarHBondContact OD1-CA 3.37Å; N442-K444 WeakPolarHBondContact OD1-CB 3.33Å; N442-K444 PolarHBondContact OD1-N 2.94Å; K444-E446 HydrophobicContact CB-CG 3.97Å; K444-E446 WeakPolarHBondContact CD-OE1 3.48Å; K444-E446 WeakPolarHBondContact CD-OE2 3.32Å; K444-E446 IonicContact NZ-OE1 3.56Å; K444-E446 PolarHBondContact O-N 2.92Å |
| 445 | K | 77.6 | Confident | 83.2 | Confident | 104 Ų | 104 | 54.4 Ų | 54.4 | 45% | 0.452 | 27% | 0.265 | S | S | . | . | S | Bend | trans | 66.8 | 9.2 | -173.4 | -47.4 | -176.3 | 179.1 | -171.1 | 0 | 114.7 | R441 N442 S443 D511 | R441-K445 PolarHBondContact NH1-O 3.31Å; N442-K445 WeakPolarHBondContact O-CA 3.29Å; N442-K445 PolarHBondContact O-N 2.93Å; N442-K445 PolarHBondContact OD1-N 3.36Å; S443-K445 VanDerWaalsContact C-N 3.3Å; K445-D511 WeakPolarHBondContact CD-OD2 3.32Å; K445-D511 VanDerWaalsContact CE-OD2 3.27Å; K445-D511 WeakPolarHBondContact CE-OD2 3.38Å; K445-D511 IonicContact NZ-OD1 2.71Å; K445-D511 PolarHBondContact NZ-OD1 3.48Å; K445-D511 IonicContact NZ-OD2 2.71Å; K445-D511 PolarHBondContact NZ-OD2 2.83Å |
| 446 | E | 78.5 | Confident | 82.9 | Confident | 79 Ų | 79 | 53.3 Ų | 53.3 | 37% | 0.369 | 26% | 0.257 | S | S | . | . | trans | -72.2 | 145.5 | 173.3 | -51.6 | 157.8 | 156.6 | 0 | 0 | 109.5 | R441 N442 K444 | R441-E446 CarbonylContact C-O 3.56Å; R441-E446 VanDerWaalsContact CA-O 3.26Å; R441-E446 WeakPolarHBondContact CA-O 3.34Å; N442-E446 PolarHBondContact N-O 3.24Å; N442-E446 PolarHBondContact ND2-OE2 2.85Å; N442-E446 PolarHBondContact OD1-N 3.06Å; K444-E446 HydrophobicContact CB-CG 3.97Å; K444-E446 WeakPolarHBondContact CD-OE1 3.48Å; K444-E446 WeakPolarHBondContact CD-OE2 3.32Å; K444-E446 IonicContact NZ-OE1 3.56Å; K444-E446 PolarHBondContact O-N 2.92Å | ||
| 447 | L | 82.2 | Confident | 82.2 | Confident | 85 Ų | 85 | 57.3 Ų | 57.3 | 45% | 0.445 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 127.1 | 172.6 | -80 | 163.9 | 0 | 0 | 0 | 109.9 | R439 R441 L518 | R439-L447 HydrophobicContact CG-CD2 4.27Å; R441-L447 HydrophobicContact CG-CD2 3.7Å; R441-L447 HydrophobicContact CG-CG 4.08Å; L447-L518 HydrophobicContact CD2-CB 4.11Å; L447-L518 HydrophobicContact CD2-CD1 4.2Å |
| 448 | N | 75.4 | Confident | 81.6 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 138 | 174 | -71.6 | 2.9 | 0 | 0 | 0 | 109.9 | R439 L440 N442 | R439-N448 WeakPolarHBondContact CA-O 3.46Å; L440-N448 PolarHBondContact N-O 3.36Å; L440-N448 VanDerWaalsContact N-O 3.07Å; L440-N448 PolarHBondContact O-N 3.15Å; N442-N448 PolarHBondContact ND2-OD1 2.97Å |
| 449 | D | 83.4 | Confident | 81.3 | Confident | 22 Ų | 22 | 65.3 Ų | 65.3 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 119.1 | 166.2 | -77.1 | 11.6 | 0 | 0 | 0 | 109.6 | V437 R439 | V437-D449 HydrophobicContact CG1-CB 3.9Å; R439-D449 WeakPolarHBondContact CB-OD1 3.39Å; R439-D449 VanDerWaalsContact CG-OD1 3.24Å; R439-D449 WeakPolarHBondContact CG-OD1 3.5Å; R439-D449 IonicContact CZ-OD1 2.7Å; R439-D449 IonicContact CZ-OD2 2.77Å; R439-D449 IonicContact NE-OD1 3.39Å; R439-D449 PolarHBondContact NE-OD1 2.9Å; R439-D449 IonicContact NE-OD2 3.43Å; R439-D449 PolarHBondContact NE-OD2 3.07Å; R439-D449 IonicContact NH2-OD1 3.27Å; R439-D449 PolarHBondContact NH2-OD1 2.75Å; R439-D449 IonicContact NH2-OD2 2.72Å; R439-D449 PolarHBondContact NH2-OD2 2.84Å |
| 450 | I | 80.9 | Confident | 81.2 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 106.1 | 174.4 | -52.2 | 156.8 | 0 | 0 | 0 | 107.9 | V437 L438 L440 F452 L468 L473 V474 | V437-I450 CarbonylContact C-O 3.59Å; V437-I450 WeakPolarHBondContact CA-O 3.26Å; L438-I450 HydrophobicContact CB-CB 4.36Å; L438-I450 HydrophobicContact CD2-CD1 4.21Å; L438-I450 HydrophobicContact CG-CD1 4.48Å; L438-I450 PolarHBondContact N-O 2.9Å; L438-I450 PolarHBondContact O-N 2.79Å; L440-I450 HydrophobicContact CD2-CD1 3.57Å; L440-I450 HydrophobicContact CD2-CG1 4.32Å; I450-F452 HydrophobicContact CG2-CD1 4.42Å; I450-L468 HydrophobicContact CG2-CD2 3.74Å; I450-L473 HydrophobicContact CD1-CB 3.68Å; I450-L473 HydrophobicContact CG1-CB 4.41Å; I450-L473 HydrophobicContact CG2-CD1 3.99Å; I450-V474 HydrophobicContact CD1-CG2 4.46Å |
| 451 | R | 81.3 | Confident | 81.1 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 135 | 176.5 | -58.2 | -171.7 | -178.4 | -104.1 | 5.7 | 110.2 | R327 L328 L436 V437 S527 | R327-R451 HydrophobicContact CG-CB 4.5Å; L328-R451 VanDerWaalsContact O-O 3.12Å; L436-R451 CarbonylContact O-C 3.55Å; L436-R451 VanDerWaalsContact O-CA 3.3Å; L436-R451 WeakPolarHBondContact O-CA 3.35Å; V437-R451 HydrophobicContact CG1-CG 4.19Å; V437-R451 HydrophobicContact CG2-CG 4.15Å; R451-S527 PolarHBondContact NH1-OG 3.24Å |
| 452 | F | 83.2 | Confident | 81.2 | Confident | 21 Ų | 21 | 65.6 Ų | 65.6 | 9% | 0.092 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 162.5 | 177.2 | 61.1 | -84.8 | 0 | 0 | 0 | 111.6 | L436 L438 I450 V464 L468 L486 L524 | L436-F452 HydrophobicContact CB-CD1 4.43Å; L436-F452 HydrophobicContact CB-CD2 4.18Å; L436-F452 HydrophobicContact CB-CE1 4.13Å; L436-F452 HydrophobicContact CB-CE2 3.86Å; L436-F452 HydrophobicContact CB-CG 4.47Å; L436-F452 HydrophobicContact CB-CZ 3.85Å; L436-F452 HydrophobicContact CD1-CD2 4.16Å; L436-F452 HydrophobicContact CD1-CE2 3.48Å; L436-F452 VanDerWaalsContact CD1-CE2 3.48Å; L436-F452 HydrophobicContact CD1-CZ 3.99Å; L436-F452 HydrophobicContact CG-CE2 4.33Å; L436-F452 PolarHBondContact N-O 2.81Å; L436-F452 PolarHBondContact O-N 2.92Å; L438-F452 HydrophobicContact CB-CE1 3.99Å; I450-F452 HydrophobicContact CG2-CD1 4.42Å; F452-V464 HydrophobicContact CD2-CG1 3.79Å; F452-V464 HydrophobicContact CE2-CG1 3.6Å; F452-V464 HydrophobicContact CZ-CG1 4.34Å; F452-L468 HydrophobicContact CD1-CD2 4.49Å; F452-L468 HydrophobicContact CE1-CD1 4.26Å; F452-L468 HydrophobicContact CZ-CD1 4.39Å; F452-L486 HydrophobicContact CE2-CD1 4.03Å; F452-L486 HydrophobicContact CE2-CD2 4.2Å; F452-L486 HydrophobicContact CZ-CD1 4.2Å; F452-L486 HydrophobicContact CZ-CD2 4.44Å; F452-L524 HydrophobicContact CE1-CD1 3.96Å; F452-L524 HydrophobicContact CZ-CD1 3.73Å |
| 453 | E | 84.9 | Confident | 81.6 | Confident | 119 Ų | 119 | 65.3 Ų | 65.3 | 56% | 0.556 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 145.4 | 171.7 | -66 | -171.2 | 151.8 | 0 | 0 | 111 | P433 I434 | P433-E453 HydrophobicContact CB-CB 4.37Å; I434-E453 CarbonylContact O-C 3.6Å; I434-E453 WeakPolarHBondContact O-CA 3.31Å |
| 454 | F | 87.6 | Confident | 82.2 | Confident | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.035 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 117.5 | 167.7 | -176.6 | -83.8 | 0 | 0 | 0 | 109.6 | I434 L436 P456 D459 V464 L486 V490 | I434-F454 PolarHBondContact N-O 3.46Å; I434-F454 PolarHBondContact O-N 3.28Å; L436-F454 HydrophobicContact CD1-CB 3.64Å; F454-P456 HydrophobicContact CD1-CG 4.16Å; F454-P456 HydrophobicContact CE1-CB 4.31Å; F454-P456 HydrophobicContact CE1-CG 4.29Å; F454-P456 WeakPolarHBondContact O-CD 3.33Å; F454-D459 HydrophobicContact CD2-CB 4.11Å; F454-D459 HydrophobicContact CE2-CB 4.01Å; F454-D459 HydrophobicContact CZ-CB 4.4Å; F454-D459 WeakPolarHBondContact CZ-O 3.23Å; F454-V464 HydrophobicContact CD2-CG2 4.02Å; F454-V464 HydrophobicContact CE2-CG2 4.36Å; F454-L486 HydrophobicContact CD2-CD1 4.36Å; F454-L486 HydrophobicContact CD2-CD2 4.41Å; F454-V490 HydrophobicContact CB-CG1 4.18Å; F454-V490 HydrophobicContact CD1-CB 3.83Å; F454-V490 HydrophobicContact CD1-CG1 3.46Å; F454-V490 VanDerWaalsContact CD1-CG1 3.46Å; F454-V490 HydrophobicContact CD1-CG2 4.31Å; F454-V490 HydrophobicContact CD2-CG1 4.08Å; F454-V490 HydrophobicContact CE1-CB 3.67Å; F454-V490 HydrophobicContact CE1-CG1 3.76Å; F454-V490 HydrophobicContact CE1-CG2 3.7Å; F454-V490 HydrophobicContact CE2-CG1 4.35Å; F454-V490 HydrophobicContact CE2-CG2 4.38Å; F454-V490 HydrophobicContact CG-CB 4.47Å; F454-V490 HydrophobicContact CG-CG1 3.64Å; F454-V490 HydrophobicContact CZ-CB 4.21Å; F454-V490 HydrophobicContact CZ-CG1 4.21Å; F454-V490 HydrophobicContact CZ-CG2 3.76Å |
| 455 | T | 85.6 | Confident | 82.8 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 15% | 0.153 | 29% | 0.286 | C | S | . | . | trans | -97.1 | 106.8 | 178.3 | -51.9 | 0 | 0 | 0 | 0 | 110 | G457 R458 D459 | T455-G457 PolarHBondContact O-N 2.99Å; T455-R458 HydrophobicContact CG2-CB 3.9Å; T455-R458 PolarHBondContact O-N 3.31Å; T455-D459 WeakPolarHBondContact CA-OD2 3.47Å; T455-D459 WeakPolarHBondContact CB-OD2 3.45Å; T455-D459 PolarHBondContact N-OD2 3.43Å; T455-D459 PolarHBondContact O-N 2.81Å; T455-D459 PolarHBondContact OG1-OD2 3.25Å | ||
| 456 | P | 81.9 | Confident | 82.9 | Confident | 29 Ų | 29 | 50.2 Ų | 50.2 | 19% | 0.188 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -63.9 | 124.7 | -172.8 | -21.5 | 34 | 0 | 0 | 0 | 112.5 | K431 I432 I434 F454 | K431-P456 HydrophobicContact CB-CB 3.98Å; K431-P456 HydrophobicContact CB-CG 4.14Å; K431-P456 HydrophobicContact CD-CB 3.82Å; I432-P456 WeakPolarHBondContact O-CD 3.49Å; I434-P456 HydrophobicContact CD1-CG 3.97Å; I434-P456 HydrophobicContact CG1-CG 4.24Å; F454-P456 HydrophobicContact CD1-CG 4.16Å; F454-P456 HydrophobicContact CE1-CB 4.31Å; F454-P456 HydrophobicContact CE1-CG 4.29Å; F454-P456 WeakPolarHBondContact O-CD 3.33Å |
| 457 | G | 75.3 | Confident | 82.9 | Confident | 86 Ų | 86 | 48.7 Ų | 48.7 | 89% | 0.887 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -7.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | T455 | T455-G457 PolarHBondContact O-N 2.99Š|
| 458 | R | 78.3 | Confident | 82.7 | Confident | 142 Ų | 142 | 44.7 Ų | 44.7 | 54% | 0.536 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -45.8 | 162.7 | 175.1 | -158.4 | 177.4 | 165 | 2.2 | 110.3 | T455 | T455-R458 HydrophobicContact CG2-CB 3.9Å; T455-R458 PolarHBondContact O-N 3.31Å |
| 459 | D | 82.8 | Confident | 82.8 | Confident | 35 Ų | 35 | 44.3 Ų | 44.3 | 19% | 0.187 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -107.2 | 157.6 | -171.9 | -50.5 | -46.4 | 0 | 0 | 0 | 111 | F454 T455 V464 | F454-D459 HydrophobicContact CD2-CB 4.11Å; F454-D459 HydrophobicContact CE2-CB 4.01Å; F454-D459 HydrophobicContact CZ-CB 4.4Å; F454-D459 WeakPolarHBondContact CZ-O 3.23Å; T455-D459 WeakPolarHBondContact CA-OD2 3.47Å; T455-D459 WeakPolarHBondContact CB-OD2 3.45Å; T455-D459 PolarHBondContact N-OD2 3.43Å; T455-D459 PolarHBondContact O-N 2.81Å; T455-D459 PolarHBondContact OG1-OD2 3.25Å; D459-V464 HydrophobicContact CB-CG2 4.12Å |
| 460 | T | 89.1 | Confident | 82.1 | Confident | 85 Ų | 85 | 46 Ų | 46 | 52% | 0.521 | 26% | 0.257 | S | S | . | . | trans | -126.7 | 147.4 | 175.9 | 64.9 | 0 | 0 | 0 | 0 | 109.7 | E462 G463 V464 | T460-E462 VanDerWaalsContact C-N 3.3Å; T460-E462 PolarHBondContact O-N 3.46Å; T460-G463 PolarHBondContact O-N 2.61Å; T460-G463 PolarHBondContact OG1-N 3.19Å; T460-V464 PolarHBondContact O-N 3.01Å | ||
| 461 | A | 89.3 | Confident | 81.4 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -37.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S465 A483 L486 Q487 | A461-S465 VanDerWaalsContact O-CB 3.28Å; A461-S465 WeakPolarHBondContact O-CB 3.23Å; A461-S465 PolarHBondContact O-N 3.25Å; A461-A483 VanDerWaalsContact CB-O 3.32Å; A461-A483 WeakPolarHBondContact CB-O 3.25Å; A461-L486 HydrophobicContact CB-CB 4Å; A461-L486 HydrophobicContact CB-CD2 4.06Å; A461-L486 HydrophobicContact CB-CG 3.77Å; A461-Q487 HydrophobicContact CB-CB 3.75Å; A461-Q487 VanDerWaalsContact CB-OE1 3.23Å |
| 462 | E | 87.5 | Confident | 81.1 | Confident | 109 Ų | 109 | 44.6 Ų | 44.6 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.8 | -46.3 | 170 | -171.5 | 79.1 | 163.4 | 0 | 0 | 111.5 | T460 S465 Q466 A483 | T460-E462 VanDerWaalsContact C-N 3.3Å; T460-E462 PolarHBondContact O-N 3.46Å; E462-S465 PolarHBondContact O-N 3.12Å; E462-Q466 VanDerWaalsContact O-CB 3.29Å; E462-Q466 WeakPolarHBondContact O-CB 3.28Å; E462-Q466 PolarHBondContact O-N 3.38Å; E462-A483 WeakPolarHBondContact OE2-CB 3.45Å |
| 463 | G | 83.3 | Confident | 80.7 | Confident | 32 Ų | 32 | 45 Ų | 45 | 33% | 0.33 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | T460 Q466 E467 | T460-G463 PolarHBondContact O-N 2.61Å; T460-G463 PolarHBondContact OG1-N 3.19Å; G463-Q466 PolarHBondContact O-N 3.24Å; G463-E467 PolarHBondContact O-N 2.83Å |
| 464 | V | 85.4 | Confident | 80.5 | Confident | 15 Ų | 15 | 39.9 Ų | 39.9 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.9 | -40.5 | 177.1 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | F452 F454 D459 T460 Q466 E467 L468 L486 | F452-V464 HydrophobicContact CD2-CG1 3.79Å; F452-V464 HydrophobicContact CE2-CG1 3.6Å; F452-V464 HydrophobicContact CZ-CG1 4.34Å; F454-V464 HydrophobicContact CD2-CG2 4.02Å; F454-V464 HydrophobicContact CE2-CG2 4.36Å; D459-V464 HydrophobicContact CB-CG2 4.12Å; T460-V464 PolarHBondContact O-N 3.01Å; V464-Q466 VanDerWaalsContact C-N 3.3Å; V464-Q466 PolarHBondContact O-N 3.14Å; V464-E467 PolarHBondContact O-N 3.15Å; V464-L468 HydrophobicContact CG1-CD1 4.44Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 3.36Å; V464-L486 HydrophobicContact CB-CD2 3.71Å; V464-L486 HydrophobicContact CG1-CD2 3.7Å |
| 465 | S | 85.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 171.8 | -176.9 | 0 | 0 | 0 | 0 | 111.8 | A461 E462 L468 I469 L479 | A461-S465 VanDerWaalsContact O-CB 3.28Å; A461-S465 WeakPolarHBondContact O-CB 3.23Å; A461-S465 PolarHBondContact O-N 3.25Å; E462-S465 PolarHBondContact O-N 3.12Å; S465-L468 PolarHBondContact O-N 3.15Å; S465-I469 WeakPolarHBondContact O-CG1 3.4Å; S465-I469 PolarHBondContact O-N 3.47Å; S465-L479 PolarHBondContact OG-O 2.85Å |
| 466 | Q | 78.7 | Confident | 80.2 | Confident | 40 Ų | 40 | 42.8 Ų | 42.8 | 19% | 0.187 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 174.3 | -174.5 | 60.3 | 53.9 | 0 | 0 | 112.4 | T185 E462 G463 V464 I469 S470 | T185-Q466 HydrophobicContact CG2-CG 3.92Å; E462-Q466 VanDerWaalsContact O-CB 3.29Å; E462-Q466 WeakPolarHBondContact O-CB 3.28Å; E462-Q466 PolarHBondContact O-N 3.38Å; G463-Q466 PolarHBondContact O-N 3.24Å; V464-Q466 VanDerWaalsContact C-N 3.3Å; V464-Q466 PolarHBondContact O-N 3.14Å; Q466-I469 PolarHBondContact O-N 2.88Å; Q466-S470 PolarHBondContact NE2-OG 2.7Å; Q466-S470 VanDerWaalsContact O-CB 3.29Å; Q466-S470 WeakPolarHBondContact O-CB 3.27Å; Q466-S470 PolarHBondContact O-N 3.47Å; Q466-S470 PolarHBondContact O-OG 3.45Å |
| 467 | E | 78.3 | Confident | 80.4 | Confident | 47 Ų | 47 | 47.4 Ų | 47.4 | 22% | 0.22 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 173.6 | -75.1 | -165.8 | 169.8 | 0 | 0 | 112 | K330 W336 G463 V464 I469 S470 A471 | K330-E467 IonicContact NZ-OE1 3.48Å; K330-E467 PolarHBondContact NZ-OE1 3.03Å; K330-E467 IonicContact NZ-OE2 3.66Å; K330-E467 PolarHBondContact NZ-OE2 3.14Å; W336-E467 HydrophobicContact CZ2-CB 4.38Å; G463-E467 PolarHBondContact O-N 2.83Å; V464-E467 PolarHBondContact O-N 3.15Å; E467-I469 VanDerWaalsContact C-N 3.33Å; E467-I469 PolarHBondContact O-N 3.09Å; E467-S470 PolarHBondContact O-N 3.35Å; E467-S470 VanDerWaalsContact O-N 3.15Å; E467-A471 WeakPolarHBondContact O-CB 3.18Å; E467-A471 PolarHBondContact O-N 3.27Å |
| 468 | L | 79.1 | Confident | 81 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -40.9 | 177.9 | -69.4 | 171.8 | 0 | 0 | 0 | 112.5 | L438 I450 F452 V464 S465 G472 L473 V474 V482 | L438-L468 HydrophobicContact CD2-CD1 3.98Å; I450-L468 HydrophobicContact CG2-CD2 3.74Å; F452-L468 HydrophobicContact CD1-CD2 4.49Å; F452-L468 HydrophobicContact CE1-CD1 4.26Å; F452-L468 HydrophobicContact CZ-CD1 4.39Å; V464-L468 HydrophobicContact CG1-CD1 4.44Å; V464-L468 WeakPolarHBondContact O-CG 3.4Å; V464-L468 PolarHBondContact O-N 3.36Å; S465-L468 PolarHBondContact O-N 3.15Å; L468-G472 PolarHBondContact O-N 2.99Å; L468-L473 HydrophobicContact CD2-CD1 3.89Å; L468-L473 WeakPolarHBondContact O-CB 3.36Å; L468-L473 PolarHBondContact O-N 3.31Å; L468-V474 HydrophobicContact CB-CB 4.36Å; L468-V474 HydrophobicContact CB-CG2 3.94Å; L468-V474 HydrophobicContact CD1-CG2 4.48Å; L468-V482 HydrophobicContact CD1-CG1 4.21Å |
| 469 | I | 78.1 | Confident | 81.3 | Confident | 29 Ų | 29 | 38.2 Ų | 38.2 | 15% | 0.149 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.1 | -40.6 | 174.7 | -70.2 | 168.2 | 0 | 0 | 0 | 111.1 | S465 Q466 E467 A471 G472 V474 L479 | S465-I469 WeakPolarHBondContact O-CG1 3.4Å; S465-I469 PolarHBondContact O-N 3.47Å; Q466-I469 PolarHBondContact O-N 2.88Å; E467-I469 VanDerWaalsContact C-N 3.33Å; E467-I469 PolarHBondContact O-N 3.09Å; I469-A471 VanDerWaalsContact C-N 3.25Å; I469-A471 PolarHBondContact O-N 2.9Å; I469-G472 WeakPolarHBondContact O-CA 3.42Å; I469-G472 PolarHBondContact O-N 2.87Å; I469-V474 HydrophobicContact CD1-CG1 4.16Å; I469-V474 HydrophobicContact CG1-CB 3.76Å; I469-V474 HydrophobicContact CG1-CG1 3.69Å; I469-L479 VanDerWaalsContact CD1-CA 3.41Å; I469-L479 HydrophobicContact CD1-CB 3.38Å; I469-L479 HydrophobicContact CD1-CD1 4.19Å; I469-L479 HydrophobicContact CD1-CG 3.77Å |
| 470 | S | 67.3 | Low | 81.6 | Confident | 59 Ų | 59 | 41.6 Ų | 41.6 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.2 | -25.1 | 179.9 | -52.5 | 0 | 0 | 0 | 0 | 112.4 | A27 Q466 E467 G472 | A27-S470 WeakPolarHBondContact CB-O 3.5Å; Q466-S470 PolarHBondContact NE2-OG 2.7Å; Q466-S470 VanDerWaalsContact O-CB 3.29Å; Q466-S470 WeakPolarHBondContact O-CB 3.27Å; Q466-S470 PolarHBondContact O-N 3.47Å; Q466-S470 PolarHBondContact O-OG 3.45Å; E467-S470 PolarHBondContact O-N 3.35Å; E467-S470 VanDerWaalsContact O-N 3.15Å; S470-G472 VanDerWaalsContact C-N 3.3Å |
| 471 | A | 66.8 | Low | 81.7 | Confident | 21 Ų | 21 | 40.2 Ų | 40.2 | 17% | 0.174 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | -5.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | A27 W336 E467 I469 L473 | A27-A471 VanDerWaalsContact CB-C 3.42Å; A27-A471 WeakPolarHBondContact CB-O 3.28Å; W336-A471 HydrophobicContact CG-CB 4.44Å; E467-A471 WeakPolarHBondContact O-CB 3.18Å; E467-A471 PolarHBondContact O-N 3.27Å; I469-A471 VanDerWaalsContact C-N 3.25Å; I469-A471 PolarHBondContact O-N 2.9Å; A471-L473 HydrophobicContact CB-CD1 3.69Å; A471-L473 HydrophobicContact CB-CG 3.74Å |
| 472 | G | 74 | Confident | 81.7 | Confident | 33 Ų | 33 | 40.2 Ų | 40.2 | 34% | 0.34 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 24.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L468 I469 S470 | L468-G472 PolarHBondContact O-N 2.99Å; I469-G472 WeakPolarHBondContact O-CA 3.42Å; I469-G472 PolarHBondContact O-N 2.87Å; S470-G472 VanDerWaalsContact C-N 3.3Å |
| 473 | L | 76.5 | Confident | 81.9 | Confident | 29 Ų | 29 | 35.4 Ų | 35.4 | 15% | 0.152 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -95.5 | -20.4 | -175.8 | -49.8 | 169.4 | 0 | 0 | 0 | 112.9 | L328 W338 I450 L468 A471 | L328-L473 HydrophobicContact CD2-CD1 3.38Å; L328-L473 HydrophobicContact CD2-CD2 3.94Å; L328-L473 HydrophobicContact CD2-CG 4.26Å; W338-L473 HydrophobicContact CH2-CD2 4.04Å; W338-L473 HydrophobicContact CZ2-CD2 3.94Å; I450-L473 HydrophobicContact CD1-CB 3.68Å; I450-L473 HydrophobicContact CG1-CB 4.41Å; I450-L473 HydrophobicContact CG2-CD1 3.99Å; L468-L473 HydrophobicContact CD2-CD1 3.89Å; L468-L473 WeakPolarHBondContact O-CB 3.36Å; L468-L473 PolarHBondContact O-N 3.31Å; A471-L473 HydrophobicContact CB-CD1 3.69Å; A471-L473 HydrophobicContact CB-CG 3.74Å |
| 474 | V | 80.4 | Confident | 82.3 | Confident | 11 Ų | 11 | 36.4 Ų | 36.4 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -134.1 | 145.8 | -178.2 | 171.6 | 0 | 0 | 0 | 0 | 107.6 | L438 L440 I450 L468 I469 D478 V482 | L438-V474 HydrophobicContact CD2-CG2 3.69Å; L440-V474 HydrophobicContact CD1-CG2 4.32Å; I450-V474 HydrophobicContact CD1-CG2 4.46Å; L468-V474 HydrophobicContact CB-CB 4.36Å; L468-V474 HydrophobicContact CB-CG2 3.94Å; L468-V474 HydrophobicContact CD1-CG2 4.48Å; I469-V474 HydrophobicContact CD1-CG1 4.16Å; I469-V474 HydrophobicContact CG1-CB 3.76Å; I469-V474 HydrophobicContact CG1-CG1 3.69Å; V474-D478 HydrophobicContact CG1-CB 3.75Å; V474-V482 HydrophobicContact CG1-CG2 3.9Å |
| 475 | D | 83.8 | Confident | 82.8 | Confident | 56 Ų | 56 | 36.7 Ų | 36.7 | 30% | 0.299 | 22% | 0.219 | S | C | . | . | trans | -70.8 | 144.8 | 178 | -170.1 | -71.5 | 0 | 0 | 0 | 111.5 | R477 D478 | D475-R477 VanDerWaalsContact CG-NE 3.33Å; D475-R477 PolarHBondContact O-N 2.89Å; D475-R477 VanDerWaalsContact O-N 3.11Å; D475-R477 WeakPolarHBondContact OD1-CB 3.38Å; D475-R477 VanDerWaalsContact OD1-CG 3.23Å; D475-R477 WeakPolarHBondContact OD1-CG 3.5Å; D475-R477 IonicContact OD1-CZ 2.71Å; D475-R477 PolarHBondContact OD1-N 2.88Å; D475-R477 IonicContact OD1-NE 2.63Å; D475-R477 PolarHBondContact OD1-NE 3.45Å; D475-R477 IonicContact OD1-NH2 2.72Å; D475-R477 IonicContact OD2-CZ 3.81Å; D475-R477 IonicContact OD2-NE 2.57Å; D475-R477 PolarHBondContact OD2-NE 2.61Å; D475-R477 IonicContact OD2-NH2 2.84Å; D475-R477 PolarHBondContact OD2-NH2 3.42Å; D475-D478 WeakPolarHBondContact CB-OD2 3.34Å; D475-D478 PolarHBondContact O-N 3.38Å | ||
| 476 | G | 81.6 | Confident | 83.1 | Confident | 38 Ų | 38 | 36.7 Ų | 36.7 | 39% | 0.392 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -58.9 | -23.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | D478 | G476-D478 VanDerWaalsContact C-N 3.33Š|
| 477 | R | 86.6 | Confident | 83.8 | Confident | 127 Ų | 127 | 38.2 Ų | 38.2 | 48% | 0.479 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -71.1 | -27 | 173.1 | -64.2 | 170 | -77.8 | 176.6 | -6.2 | 112.6 | D475 S505 | D475-R477 VanDerWaalsContact CG-NE 3.33Å; D475-R477 PolarHBondContact O-N 2.89Å; D475-R477 VanDerWaalsContact O-N 3.11Å; D475-R477 WeakPolarHBondContact OD1-CB 3.38Å; D475-R477 VanDerWaalsContact OD1-CG 3.23Å; D475-R477 WeakPolarHBondContact OD1-CG 3.5Å; D475-R477 IonicContact OD1-CZ 2.71Å; D475-R477 PolarHBondContact OD1-N 2.88Å; D475-R477 IonicContact OD1-NE 2.63Å; D475-R477 PolarHBondContact OD1-NE 3.45Å; D475-R477 IonicContact OD1-NH2 2.72Å; D475-R477 IonicContact OD2-CZ 3.81Å; D475-R477 IonicContact OD2-NE 2.57Å; D475-R477 PolarHBondContact OD2-NE 2.61Å; D475-R477 IonicContact OD2-NH2 2.84Å; D475-R477 PolarHBondContact OD2-NH2 3.42Å; R477-S505 PolarHBondContact NH1-O 2.79Å |
| 478 | D | 88.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.011 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -89.8 | -1 | -172.2 | -67 | -36.6 | 0 | 0 | 0 | 114 | V474 D475 G476 V480 I481 V482 L503 A504 S505 | V474-D478 HydrophobicContact CG1-CB 3.75Å; D475-D478 WeakPolarHBondContact CB-OD2 3.34Å; D475-D478 PolarHBondContact O-N 3.38Å; G476-D478 VanDerWaalsContact C-N 3.33Å; D478-V480 PolarHBondContact O-N 2.77Å; D478-I481 HydrophobicContact CB-CG2 4.16Å; D478-I481 VanDerWaalsContact O-CG2 3.26Å; D478-I481 WeakPolarHBondContact O-CG2 3.38Å; D478-I481 PolarHBondContact O-N 3.47Å; D478-V482 HydrophobicContact CB-CG2 4.31Å; D478-V482 WeakPolarHBondContact O-CB 3.4Å; D478-V482 WeakPolarHBondContact O-CG2 3.23Å; D478-V482 PolarHBondContact O-N 3.49Å; D478-L503 HydrophobicContact CB-CD2 4.22Å; D478-L503 WeakPolarHBondContact OD1-CB 3.11Å; D478-A504 WeakPolarHBondContact OD1-CA 3.49Å; D478-A504 PolarHBondContact OD1-N 2.93Å; D478-S505 PolarHBondContact OD1-N 2.94Å; D478-S505 PolarHBondContact OD1-OG 3.11Å; D478-S505 VanDerWaalsContact OD2-CB 3.24Å; D478-S505 WeakPolarHBondContact OD2-CB 3.09Å; D478-S505 PolarHBondContact OD2-OG 3.14Å |
| 479 | L | 85.3 | Confident | 84.9 | Confident | 33 Ų | 33 | 40.5 Ų | 40.5 | 17% | 0.173 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -44.6 | -62.1 | 179.1 | -167.3 | 164.3 | 0 | 0 | 0 | 112.4 | S465 I469 I481 V482 A483 | S465-L479 PolarHBondContact OG-O 2.85Å; I469-L479 VanDerWaalsContact CD1-CA 3.41Å; I469-L479 HydrophobicContact CD1-CB 3.38Å; I469-L479 HydrophobicContact CD1-CD1 4.19Å; I469-L479 HydrophobicContact CD1-CG 3.77Å; L479-I481 VanDerWaalsContact C-N 3.3Å; L479-I481 PolarHBondContact O-N 3.36Å; L479-V482 PolarHBondContact O-N 3.05Å; L479-A483 VanDerWaalsContact O-CB 3.25Å; L479-A483 WeakPolarHBondContact O-CB 3.49Å; L479-A483 PolarHBondContact O-N 2.75Å |
| 480 | V | 88.2 | Confident | 85.5 | Confident | 106 Ų | 106 | 40 Ų | 40 | 64% | 0.642 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -65.8 | -34.6 | -172.3 | -176 | 0 | 0 | 0 | 0 | 111.5 | D478 A484 | D478-V480 PolarHBondContact O-N 2.77Å; V480-A484 WeakPolarHBondContact O-CB 3.49Å; V480-A484 PolarHBondContact O-N 2.72Å |
| 481 | I | 90.4 | Very high | 86.5 | Confident | 55 Ų | 55 | 43.5 Ų | 43.5 | 28% | 0.282 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -79.9 | -35.5 | -178.3 | -166.7 | 63.4 | 0 | 0 | 0 | 112.1 | D478 L479 N485 F501 | D478-I481 HydrophobicContact CB-CG2 4.16Å; D478-I481 VanDerWaalsContact O-CG2 3.26Å; D478-I481 WeakPolarHBondContact O-CG2 3.38Å; D478-I481 PolarHBondContact O-N 3.47Å; L479-I481 VanDerWaalsContact C-N 3.3Å; L479-I481 PolarHBondContact O-N 3.36Å; I481-N485 WeakPolarHBondContact CD1-ND2 3.35Å; I481-N485 PolarHBondContact O-N 3.34Å; I481-N485 VanDerWaalsContact O-N 3.09Å; I481-N485 PolarHBondContact O-ND2 2.89Å; I481-F501 HydrophobicContact CG1-CD2 3.78Å; I481-F501 HydrophobicContact CG1-CE2 4.41Å; I481-F501 HydrophobicContact CG2-CD2 4.46Å; I481-F501 HydrophobicContact CG2-CE2 4.43Å |
| 482 | V | 91.1 | Very high | 87.4 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68 | -44.7 | 171.6 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | L438 L468 V474 D478 L479 A484 N485 L486 F501 | L438-V482 HydrophobicContact CD2-CG1 4.19Å; L468-V482 HydrophobicContact CD1-CG1 4.21Å; V474-V482 HydrophobicContact CG1-CG2 3.9Å; D478-V482 HydrophobicContact CB-CG2 4.31Å; D478-V482 WeakPolarHBondContact O-CB 3.4Å; D478-V482 WeakPolarHBondContact O-CG2 3.23Å; D478-V482 PolarHBondContact O-N 3.49Å; L479-V482 PolarHBondContact O-N 3.05Å; V482-A484 PolarHBondContact O-N 2.94Å; V482-N485 PolarHBondContact O-N 2.85Å; V482-L486 WeakPolarHBondContact O-CB 3.2Å; V482-L486 PolarHBondContact O-N 2.96Å; V482-F501 HydrophobicContact CG2-CE2 3.88Å; V482-F501 HydrophobicContact CG2-CZ 4Å |
| 483 | A | 91 | Very high | 87.9 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A461 E462 L479 L486 Q487 | A461-A483 VanDerWaalsContact CB-O 3.32Å; A461-A483 WeakPolarHBondContact CB-O 3.25Å; E462-A483 WeakPolarHBondContact OE2-CB 3.45Å; L479-A483 VanDerWaalsContact O-CB 3.25Å; L479-A483 WeakPolarHBondContact O-CB 3.49Å; L479-A483 PolarHBondContact O-N 2.75Å; A483-L486 PolarHBondContact O-N 2.76Å; A483-Q487 WeakPolarHBondContact O-CB 3.36Å; A483-Q487 PolarHBondContact O-N 3.17Å |
| 484 | A | 92.3 | Very high | 88.1 | Confident | 54 Ų | 54 | 54.2 Ų | 54.2 | 45% | 0.446 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | V480 V482 K488 | V480-A484 WeakPolarHBondContact O-CB 3.49Å; V480-A484 PolarHBondContact O-N 2.72Å; V482-A484 PolarHBondContact O-N 2.94Å; A484-K488 PolarHBondContact O-N 3.46Å; A484-K488 VanDerWaalsContact O-N 3.11Å |
| 485 | N | 94.3 | Very high | 88.1 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 11% | 0.107 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -73.5 | -33.3 | 178.2 | -74.2 | -81 | 0 | 0 | 0 | 112.2 | I481 V482 K488 I489 V499 F501 | I481-N485 WeakPolarHBondContact CD1-ND2 3.35Å; I481-N485 PolarHBondContact O-N 3.34Å; I481-N485 VanDerWaalsContact O-N 3.09Å; I481-N485 PolarHBondContact O-ND2 2.89Å; V482-N485 PolarHBondContact O-N 2.85Å; N485-K488 PolarHBondContact O-N 3.26Å; N485-I489 WeakPolarHBondContact O-CG1 3.27Å; N485-I489 PolarHBondContact O-N 3.43Å; N485-V499 VanDerWaalsContact OD1-CG1 3.29Å; N485-V499 WeakPolarHBondContact OD1-CG1 3.28Å; N485-F501 HydrophobicContact CB-CD1 3.59Å; N485-F501 HydrophobicContact CB-CE1 3.69Å; N485-F501 HydrophobicContact CB-CG 4.1Å; N485-F501 HydrophobicContact CB-CZ 4.25Å; N485-F501 VanDerWaalsContact CG-CD1 3.44Å; N485-F501 WeakPolarHBondContact ND2-CB 3.39Å; N485-F501 VanDerWaalsContact ND2-CG 3.33Å; N485-F501 WeakPolarHBondContact ND2-CG 3.35Å |
| 486 | L | 92.9 | Very high | 88.1 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 171 | 176.1 | 57.3 | 0 | 0 | 0 | 111.5 | L436 F452 F454 A461 V464 V482 A483 K488 I489 V490 L524 | L436-L486 HydrophobicContact CD1-CD1 3.46Å; L436-L486 VanDerWaalsContact CD1-CD1 3.46Å; F452-L486 HydrophobicContact CE2-CD1 4.03Å; F452-L486 HydrophobicContact CE2-CD2 4.2Å; F452-L486 HydrophobicContact CZ-CD1 4.2Å; F452-L486 HydrophobicContact CZ-CD2 4.44Å; F454-L486 HydrophobicContact CD2-CD1 4.36Å; F454-L486 HydrophobicContact CD2-CD2 4.41Å; A461-L486 HydrophobicContact CB-CB 4Å; A461-L486 HydrophobicContact CB-CD2 4.06Å; A461-L486 HydrophobicContact CB-CG 3.77Å; V464-L486 HydrophobicContact CB-CD2 3.71Å; V464-L486 HydrophobicContact CG1-CD2 3.7Å; V482-L486 WeakPolarHBondContact O-CB 3.2Å; V482-L486 PolarHBondContact O-N 2.96Å; A483-L486 PolarHBondContact O-N 2.76Å; L486-K488 VanDerWaalsContact C-N 3.3Å; L486-K488 PolarHBondContact O-N 3.38Å; L486-I489 PolarHBondContact O-N 2.8Å; L486-I489 VanDerWaalsContact O-N 3.14Å; L486-V490 HydrophobicContact CD1-CG1 3.85Å; L486-V490 WeakPolarHBondContact O-CG1 3.47Å; L486-V490 WeakPolarHBondContact O-CG2 3.36Å; L486-V490 PolarHBondContact O-N 3.01Å; L486-L524 VanDerWaalsContact CA-CD2 3.48Å; L486-L524 HydrophobicContact CB-CD2 3.89Å; L486-L524 HydrophobicContact CD1-CD2 3.9Å |
| 487 | Q | 92.1 | Very high | 88.4 | Confident | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.2 | -47.1 | 176 | -169.9 | 65.7 | 22.9 | 0 | 0 | 111 | A461 A483 I489 V490 E491 | A461-Q487 HydrophobicContact CB-CB 3.75Å; A461-Q487 VanDerWaalsContact CB-OE1 3.23Å; A483-Q487 WeakPolarHBondContact O-CB 3.36Å; A483-Q487 PolarHBondContact O-N 3.17Å; Q487-I489 VanDerWaalsContact C-N 3.33Å; Q487-I489 PolarHBondContact O-N 3.01Å; Q487-V490 WeakPolarHBondContact O-CG2 3.49Å; Q487-V490 PolarHBondContact O-N 3.12Å; Q487-E491 HydrophobicContact CG-CG 4.34Å; Q487-E491 PolarHBondContact NE2-OE1 3.25Å; Q487-E491 WeakPolarHBondContact O-CB 3.37Å; Q487-E491 WeakPolarHBondContact O-CG 3.37Å; Q487-E491 PolarHBondContact O-N 3.03Å |
| 488 | K | 90.3 | Very high | 88.6 | Confident | 95 Ų | 95 | 57.8 Ų | 57.8 | 41% | 0.413 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.3 | -38.6 | 177.5 | -173.9 | -174.4 | 179.6 | -148.4 | 0 | 113.7 | A484 N485 L486 E492 N496 | A484-K488 PolarHBondContact O-N 3.46Å; A484-K488 VanDerWaalsContact O-N 3.11Å; N485-K488 PolarHBondContact O-N 3.26Å; L486-K488 VanDerWaalsContact C-N 3.3Å; L486-K488 PolarHBondContact O-N 3.38Å; K488-E492 PolarHBondContact O-N 2.87Å; K488-N496 WeakPolarHBondContact CE-OD1 3.42Å; K488-N496 PolarHBondContact NZ-OD1 3.29Å; K488-N496 VanDerWaalsContact NZ-OD1 3.12Å; K488-N496 PolarHBondContact O-ND2 3.3Å |
| 489 | I | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -73.2 | -39.8 | 177.8 | -66.8 | -164.2 | 0 | 0 | 0 | 111.8 | L436 N485 L486 Q487 E492 P493 N496 V499 L524 I526 | L436-I489 HydrophobicContact CD2-CG2 3.72Å; N485-I489 WeakPolarHBondContact O-CG1 3.27Å; N485-I489 PolarHBondContact O-N 3.43Å; L486-I489 PolarHBondContact O-N 2.8Å; L486-I489 VanDerWaalsContact O-N 3.14Å; Q487-I489 VanDerWaalsContact C-N 3.33Å; Q487-I489 PolarHBondContact O-N 3.01Å; I489-E492 CarbonylContact O-C 3.45Å; I489-P493 VanDerWaalsContact O-CA 3.23Å; I489-P493 WeakPolarHBondContact O-CA 3.32Å; I489-P493 WeakPolarHBondContact O-CD 3.34Å; I489-P493 VanDerWaalsContact O-N 3.11Å; I489-N496 WeakPolarHBondContact CD1-O 3.29Å; I489-N496 HydrophobicContact CG1-CB 4.06Å; I489-N496 WeakPolarHBondContact CG1-O 3.42Å; I489-V499 HydrophobicContact CD1-CB 4.11Å; I489-V499 HydrophobicContact CD1-CG2 3.8Å; I489-V499 HydrophobicContact CG1-CB 4.44Å; I489-V499 HydrophobicContact CG1-CG2 3.76Å; I489-L524 HydrophobicContact CB-CD2 4.43Å; I489-L524 HydrophobicContact CD1-CB 3.97Å; I489-L524 HydrophobicContact CD1-CD2 3.76Å; I489-L524 HydrophobicContact CD1-CG 3.76Å; I489-L524 VanDerWaalsContact CD1-O 3.23Å; I489-L524 WeakPolarHBondContact CD1-O 3.33Å; I489-L524 HydrophobicContact CG1-CD2 4.24Å; I489-I526 HydrophobicContact CG2-CD1 3.8Å; I489-I526 HydrophobicContact CG2-CG1 3.58Å |
| 490 | V | 89.7 | Confident | 89.3 | Confident | 20 Ų | 20 | 59.5 Ų | 59.5 | 12% | 0.121 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -81.1 | -20.6 | -176.1 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | I434 L436 F454 L486 Q487 | I434-V490 HydrophobicContact CD1-CB 4.18Å; I434-V490 HydrophobicContact CD1-CG1 4.2Å; L436-V490 HydrophobicContact CD1-CG1 4.33Å; F454-V490 HydrophobicContact CB-CG1 4.18Å; F454-V490 HydrophobicContact CD1-CB 3.83Å; F454-V490 HydrophobicContact CD1-CG1 3.46Å; F454-V490 VanDerWaalsContact CD1-CG1 3.46Å; F454-V490 HydrophobicContact CD1-CG2 4.31Å; F454-V490 HydrophobicContact CD2-CG1 4.08Å; F454-V490 HydrophobicContact CE1-CB 3.67Å; F454-V490 HydrophobicContact CE1-CG1 3.76Å; F454-V490 HydrophobicContact CE1-CG2 3.7Å; F454-V490 HydrophobicContact CE2-CG1 4.35Å; F454-V490 HydrophobicContact CE2-CG2 4.38Å; F454-V490 HydrophobicContact CG-CB 4.47Å; F454-V490 HydrophobicContact CG-CG1 3.64Å; F454-V490 HydrophobicContact CZ-CB 4.21Å; F454-V490 HydrophobicContact CZ-CG1 4.21Å; F454-V490 HydrophobicContact CZ-CG2 3.76Å; L486-V490 HydrophobicContact CD1-CG1 3.85Å; L486-V490 WeakPolarHBondContact O-CG1 3.47Å; L486-V490 WeakPolarHBondContact O-CG2 3.36Å; L486-V490 PolarHBondContact O-N 3.01Å; Q487-V490 WeakPolarHBondContact O-CG2 3.49Å; Q487-V490 PolarHBondContact O-N 3.12Å |
| 491 | E | 87.9 | Confident | 89.6 | Confident | 131 Ų | 131 | 55.1 Ų | 55.1 | 61% | 0.612 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -74.6 | -42.4 | 170.2 | -74.8 | 176.2 | 164.2 | 0 | 0 | 112.1 | Q487 | Q487-E491 HydrophobicContact CG-CG 4.34Å; Q487-E491 PolarHBondContact NE2-OE1 3.25Å; Q487-E491 WeakPolarHBondContact O-CB 3.37Å; Q487-E491 WeakPolarHBondContact O-CG 3.37Å; Q487-E491 PolarHBondContact O-N 3.03Å |
| 492 | E | 86.7 | Confident | 89.7 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 53% | 0.528 | 30% | 0.299 | S | S | . | . | trans | -129.1 | 65.7 | -178.9 | -52.1 | -177.8 | 171.6 | 0 | 0 | 113.4 | K488 I489 Q494 S495 N496 | K488-E492 PolarHBondContact O-N 2.87Å; I489-E492 CarbonylContact O-C 3.45Å; E492-Q494 PolarHBondContact O-N 3.11Å; E492-S495 WeakPolarHBondContact CB-OG 3.42Å; E492-S495 PolarHBondContact O-N 3.01Å; E492-S495 VanDerWaalsContact O-N 3.14Å; E492-S495 PolarHBondContact O-OG 2.63Å; E492-S495 VanDerWaalsContact O-OG 3.11Å; E492-S495 PolarHBondContact OE2-OG 3.14Å; E492-N496 PolarHBondContact O-N 2.8Å; E492-N496 PolarHBondContact OE2-ND2 3.43Å | ||
| 493 | P | 83.6 | Confident | 89.7 | Confident | 41 Ų | 41 | 59.1 Ų | 59.1 | 27% | 0.266 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -9.9 | -174 | 24.5 | -34.6 | 0 | 0 | 0 | 115 | I434 I489 I526 | I434-P493 HydrophobicContact CD1-CB 4.46Å; I434-P493 HydrophobicContact CD1-CG 4.47Å; I489-P493 VanDerWaalsContact O-CA 3.23Å; I489-P493 WeakPolarHBondContact O-CA 3.32Å; I489-P493 WeakPolarHBondContact O-CD 3.34Å; I489-P493 VanDerWaalsContact O-N 3.11Å; P493-I526 HydrophobicContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact O-CD1 3.27Å; P493-I526 WeakPolarHBondContact O-CD1 3.29Å |
| 494 | Q | 80.6 | Confident | 89.5 | Confident | 154 Ų | 154 | 62 Ų | 62 | 72% | 0.72 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -29.4 | 175.3 | -60.6 | -62.1 | -13.8 | 0 | 0 | 113.4 | E492 | E492-Q494 PolarHBondContact O-N 3.11Š|
| 495 | S | 81.2 | Confident | 89.2 | Confident | 73 Ų | 73 | 60.6 Ų | 60.6 | 51% | 0.51 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -40.5 | 176.2 | 61 | 0 | 0 | 0 | 0 | 111.3 | E492 R497 | E492-S495 WeakPolarHBondContact CB-OG 3.42Å; E492-S495 PolarHBondContact O-N 3.01Å; E492-S495 VanDerWaalsContact O-N 3.14Å; E492-S495 PolarHBondContact O-OG 2.63Å; E492-S495 VanDerWaalsContact O-OG 3.11Å; E492-S495 PolarHBondContact OE2-OG 3.14Å; S495-R497 PolarHBondContact O-N 3.26Å |
| 496 | N | 84.4 | Confident | 88.6 | Confident | 19 Ų | 19 | 61 Ų | 61 | 10% | 0.102 | 32% | 0.322 | C | S | . | . | trans | -103.1 | 52.9 | -171.2 | -64.3 | -62.8 | 0 | 0 | 0 | 112.5 | K488 I489 E492 S498 V499 | K488-N496 WeakPolarHBondContact CE-OD1 3.42Å; K488-N496 PolarHBondContact NZ-OD1 3.29Å; K488-N496 VanDerWaalsContact NZ-OD1 3.12Å; K488-N496 PolarHBondContact O-ND2 3.3Å; I489-N496 WeakPolarHBondContact CD1-O 3.29Å; I489-N496 HydrophobicContact CG1-CB 4.06Å; I489-N496 WeakPolarHBondContact CG1-O 3.42Å; E492-N496 PolarHBondContact O-N 2.8Å; E492-N496 PolarHBondContact OE2-ND2 3.43Å; N496-S498 PolarHBondContact O-N 2.75Å; N496-V499 HydrophobicContact CB-CG2 4.01Å | ||
| 497 | R | 87.6 | Confident | 87.9 | Confident | 155 Ų | 155 | 63.3 Ų | 63.3 | 59% | 0.585 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -62.3 | -26.1 | 178 | -79 | -173 | 173.7 | -109.7 | -2 | 114.6 | S495 S525 I526 | S495-R497 PolarHBondContact O-N 3.26Å; R497-S525 CarbonylContact O-C 3.56Å; R497-S525 VanDerWaalsContact O-CA 3.28Å; R497-S525 WeakPolarHBondContact O-CA 3.33Å; R497-S525 WeakPolarHBondContact O-CB 3.47Å; R497-I526 PolarHBondContact O-N 3.41Å |
| 498 | S | 91.6 | Very high | 86.8 | Confident | 61 Ų | 61 | 66.1 Ų | 66.1 | 43% | 0.427 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 136.4 | 172.9 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | N496 L524 | N496-S498 PolarHBondContact O-N 2.75Å; S498-L524 CarbonylContact C-O 3.56Å; S498-L524 WeakPolarHBondContact CA-O 3.46Å |
| 499 | V | 92.2 | Very high | 85.8 | Confident | 14 Ų | 14 | 65.4 Ų | 65.4 | 9% | 0.085 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 112.2 | -179.6 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | N485 I489 N496 Q523 L524 | N485-V499 VanDerWaalsContact OD1-CG1 3.29Å; N485-V499 WeakPolarHBondContact OD1-CG1 3.28Å; I489-V499 HydrophobicContact CD1-CB 4.11Å; I489-V499 HydrophobicContact CD1-CG2 3.8Å; I489-V499 HydrophobicContact CG1-CB 4.44Å; I489-V499 HydrophobicContact CG1-CG2 3.76Å; N496-V499 HydrophobicContact CB-CG2 4.01Å; V499-Q523 WeakPolarHBondContact O-CA 3.36Å; V499-L524 PolarHBondContact N-O 3.19Å; V499-L524 PolarHBondContact O-N 3.28Å |
| 500 | T | 95 | Very high | 85 | Confident | 57 Ų | 57 | 71 Ų | 71 | 35% | 0.35 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.9 | 167.8 | -55.2 | 0 | 0 | 0 | 0 | 109.5 | D515 L518 F521 A522 Q523 | T500-D515 HydrophobicContact CG2-CB 4.32Å; T500-L518 HydrophobicContact CG2-CD2 3.77Å; T500-F521 HydrophobicContact CG2-CB 4.22Å; T500-F521 HydrophobicContact CG2-CD1 4.36Å; T500-A522 CarbonylContact C-O 3.56Å; T500-A522 WeakPolarHBondContact CA-O 3.28Å; T500-Q523 PolarHBondContact OG1-NE2 2.57Å |
| 501 | F | 94.5 | Very high | 84.5 | Confident | 13 Ų | 13 | 72.7 Ų | 72.7 | 6% | 0.057 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 151.7 | -178.8 | 57.6 | -89 | 0 | 0 | 0 | 111.8 | L438 I481 V482 N485 L503 F521 A522 L524 | L438-F501 HydrophobicContact CD1-CE1 4.27Å; L438-F501 HydrophobicContact CD1-CZ 3.86Å; I481-F501 HydrophobicContact CG1-CD2 3.78Å; I481-F501 HydrophobicContact CG1-CE2 4.41Å; I481-F501 HydrophobicContact CG2-CD2 4.46Å; I481-F501 HydrophobicContact CG2-CE2 4.43Å; V482-F501 HydrophobicContact CG2-CE2 3.88Å; V482-F501 HydrophobicContact CG2-CZ 4Å; N485-F501 HydrophobicContact CB-CD1 3.59Å; N485-F501 HydrophobicContact CB-CE1 3.69Å; N485-F501 HydrophobicContact CB-CG 4.1Å; N485-F501 HydrophobicContact CB-CZ 4.25Å; N485-F501 VanDerWaalsContact CG-CD1 3.44Å; N485-F501 WeakPolarHBondContact ND2-CB 3.39Å; N485-F501 VanDerWaalsContact ND2-CG 3.33Å; N485-F501 WeakPolarHBondContact ND2-CG 3.35Å; F501-L503 HydrophobicContact CD2-CD2 4.43Å; F501-L503 HydrophobicContact CE2-CD2 3.98Å; F501-F521 CarbonylContact O-C 3.56Å; F501-F521 VanDerWaalsContact O-CA 3.22Å; F501-F521 WeakPolarHBondContact O-CA 3.39Å; F501-F521 WeakPolarHBondContact O-CB 3.41Å; F501-A522 HydrophobicContact CE1-CB 4.35Å; F501-A522 HydrophobicContact CE2-CB 3.95Å; F501-A522 HydrophobicContact CZ-CB 3.83Å; F501-A522 PolarHBondContact N-O 3.43Å; F501-A522 PolarHBondContact O-N 2.9Å; F501-L524 HydrophobicContact CE1-CB 3.95Å |
| 502 | K | 93.1 | Very high | 84.2 | Confident | 125 Ų | 125 | 73.1 Ų | 73.1 | 54% | 0.543 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 139 | 179.3 | -169.6 | 178.7 | 176.6 | 179 | 0 | 110.6 | G520 F521 | K502-G520 WeakPolarHBondContact CG-O 3.39Å; K502-F521 VanDerWaalsContact CA-CD1 3.5Å; K502-F521 HydrophobicContact CB-CD1 3.84Å; K502-F521 HydrophobicContact CB-CE1 3.7Å; K502-F521 HydrophobicContact CB-CZ 4.36Å; K502-F521 HydrophobicContact CG-CD1 4.33Å; K502-F521 HydrophobicContact CG-CE1 4.08Å; K502-F521 HydrophobicContact CG-CZ 4.27Å |
| 503 | L | 91.3 | Very high | 84.2 | Confident | 16 Ų | 16 | 70.9 Ų | 70.9 | 8% | 0.084 | 42% | 0.417 | C | S | . | . | trans | -81.8 | 143.2 | 174.3 | -62.2 | 176.9 | 0 | 0 | 0 | 111.2 | D478 F501 G520 A522 | D478-L503 HydrophobicContact CB-CD2 4.22Å; D478-L503 WeakPolarHBondContact OD1-CB 3.11Å; F501-L503 HydrophobicContact CD2-CD2 4.43Å; F501-L503 HydrophobicContact CE2-CD2 3.98Å; L503-G520 PolarHBondContact N-O 3.03Å; L503-A522 HydrophobicContact CD1-CB 4.44Å; L503-A522 HydrophobicContact CD2-CB 3.82Å; L503-A522 HydrophobicContact CG-CB 4.29Å | ||
| 504 | A | 87.4 | Confident | 84.5 | Confident | 68 Ų | 68 | 71 Ų | 71 | 56% | 0.562 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -80.8 | -22.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | D478 G506 | D478-A504 WeakPolarHBondContact OD1-CA 3.49Å; D478-A504 PolarHBondContact OD1-N 2.93Å; A504-G506 PolarHBondContact O-N 2.71Å |
| 505 | S | 84.5 | Confident | 85 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 18% | 0.175 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -60.3 | -29.4 | 166 | 54.6 | 0 | 0 | 0 | 0 | 113 | R477 D478 | R477-S505 PolarHBondContact NH1-O 2.79Å; D478-S505 PolarHBondContact OD1-N 2.94Å; D478-S505 PolarHBondContact OD1-OG 3.11Å; D478-S505 VanDerWaalsContact OD2-CB 3.24Å; D478-S505 WeakPolarHBondContact OD2-CB 3.09Å; D478-S505 PolarHBondContact OD2-OG 3.14Å |
| 506 | G | 82.6 | Confident | 85.1 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 29% | 0.289 | 42% | 0.417 | S | S | . | . | trans | 86.4 | -135.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | A504 G520 | A504-G506 PolarHBondContact O-N 2.71Å; G506-G520 VanDerWaalsContact O-CA 3.28Å; G506-G520 WeakPolarHBondContact O-CA 3.49Å | ||
| 507 | V | 78.4 | Confident | 85.2 | Confident | 50 Ų | 50 | 73 Ų | 73 | 30% | 0.303 | 44% | 0.437 | S | S | . | . | trans | -140.5 | 140.2 | 175.1 | -161.9 | 0 | 0 | 0 | 0 | 108.4 | D511 P513 I519 | V507-D511 HydrophobicContact CG1-CB 3.48Å; V507-D511 VanDerWaalsContact CG1-CB 3.48Å; V507-P513 HydrophobicContact CG2-CB 4.21Å; V507-P513 HydrophobicContact CG2-CG 3.87Å; V507-I519 HydrophobicContact CG1-CG2 3.67Å; V507-I519 HydrophobicContact CG2-CG2 4.26Å | ||
| 508 | E | 68.9 | Low | 85.3 | Confident | 130 Ų | 130 | 66.1 Ų | 66.1 | 61% | 0.607 | 41% | 0.412 | S | S | * | . | trans | -97.3 | 135.8 | -177.3 | -65.1 | -178.6 | 172.3 | 0 | 0 | 112.3 | ||||
| 509 | G | 69.7 | Low | 85.1 | Confident | 81 Ų | 81 | 64.7 Ų | 64.7 | 84% | 0.835 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | -141.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 510 | S | 73.7 | Confident | 85 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 83% | 0.825 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 14.1 | -174.5 | 59.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 511 | D | 78.9 | Confident | 84.9 | Confident | 54 Ų | 54 | 63.7 Ų | 63.7 | 29% | 0.289 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 137.7 | -176.8 | -76.3 | 22.9 | 0 | 0 | 0 | 111.2 | K445 V507 I519 | K445-D511 WeakPolarHBondContact CD-OD2 3.32Å; K445-D511 VanDerWaalsContact CE-OD2 3.27Å; K445-D511 WeakPolarHBondContact CE-OD2 3.38Å; K445-D511 IonicContact NZ-OD1 2.71Å; K445-D511 PolarHBondContact NZ-OD1 3.48Å; K445-D511 IonicContact NZ-OD2 2.71Å; K445-D511 PolarHBondContact NZ-OD2 2.83Å; V507-D511 HydrophobicContact CG1-CB 3.48Å; V507-D511 VanDerWaalsContact CG1-CB 3.48Å; D511-I519 HydrophobicContact CB-CG2 4.15Å |
| 512 | I | 83.4 | Confident | 84.9 | Confident | 141 Ų | 141 | 63 Ų | 63 | 72% | 0.723 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 129.7 | 178.4 | -58.7 | 173.7 | 0 | 0 | 0 | 108.9 | D514 I519 | I512-D514 PolarHBondContact O-N 2.98Å; I512-I519 WeakPolarHBondContact O-CG2 3.49Å |
| 513 | P | 86.6 | Confident | 84.9 | Confident | 66 Ų | 66 | 59.5 Ų | 59.5 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 132.9 | 175.2 | -21.6 | 31.3 | 0 | 0 | 0 | 112.2 | V507 I519 F521 | V507-P513 HydrophobicContact CG2-CB 4.21Å; V507-P513 HydrophobicContact CG2-CG 3.87Å; P513-I519 VanDerWaalsContact CA-O 3.28Å; P513-I519 WeakPolarHBondContact CA-O 3.21Å; P513-F521 HydrophobicContact CB-CE2 4.05Å |
| 514 | D | 89.2 | Confident | 85.1 | Confident | 43 Ų | 43 | 58.8 Ų | 58.8 | 23% | 0.23 | 37% | 0.37 | C | S | . | . | B | Isolated β-bridge | trans | -148.8 | 116.3 | -171.9 | -175 | -46.2 | 0 | 0 | 0 | 108.5 | I512 G516 K517 L518 I519 | I512-D514 PolarHBondContact O-N 2.98Å; D514-G516 PolarHBondContact OD1-N 2.84Å; D514-K517 HydrophobicContact CB-CB 4.14Å; D514-K517 WeakPolarHBondContact OD1-CB 3.4Å; D514-K517 WeakPolarHBondContact OD1-CG 3.24Å; D514-K517 PolarHBondContact OD1-N 3.24Å; D514-K517 WeakPolarHBondContact OD2-CD 3.23Å; D514-K517 IonicContact OD2-NZ 2.75Å; D514-K517 PolarHBondContact OD2-NZ 2.89Å; D514-L518 CarbonylContact O-C 3.55Å; D514-L518 WeakPolarHBondContact O-CA 3.19Å; D514-L518 PolarHBondContact O-N 2.97Å; D514-I519 HydrophobicContact CB-CB 4.13Å; D514-I519 HydrophobicContact CB-CD1 4.21Å; D514-I519 HydrophobicContact CB-CG1 4.39Å; D514-I519 PolarHBondContact N-O 3.11Å; D514-I519 PolarHBondContact O-N 3.09Å |
| 515 | D | 90.1 | Very high | 85.3 | Confident | 100 Ų | 100 | 56.8 Ų | 56.8 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -42.3 | -175 | 64.3 | -28.7 | 0 | 0 | 0 | 112 | T500 K517 L518 F521 | T500-D515 HydrophobicContact CG2-CB 4.32Å; D515-K517 PolarHBondContact O-N 2.86Å; D515-L518 WeakPolarHBondContact O-CD2 3.46Å; D515-L518 PolarHBondContact O-N 3.38Å; D515-F521 HydrophobicContact CB-CD1 3.89Å; D515-F521 HydrophobicContact CB-CD2 4.01Å; D515-F521 HydrophobicContact CB-CE1 3.91Å; D515-F521 HydrophobicContact CB-CE2 4.03Å; D515-F521 HydrophobicContact CB-CG 3.96Å; D515-F521 HydrophobicContact CB-CZ 3.99Å |
| 516 | G | 84.5 | Confident | 85.5 | Confident | 71 Ų | 71 | 57.5 Ų | 57.5 | 73% | 0.732 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -29.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | D514 | D514-G516 PolarHBondContact OD1-N 2.84Š|
| 517 | K | 86.8 | Confident | 85.4 | Confident | 117 Ų | 117 | 61.3 Ų | 61.3 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | -1.3 | 172.6 | -60.1 | -172.7 | -166.9 | 83.2 | 0 | 113.7 | R441 D514 D515 I519 | R441-K517 VanDerWaalsContact CZ-O 3.24Å; R441-K517 PolarHBondContact NE-O 3.37Å; R441-K517 PolarHBondContact NH2-O 2.99Å; D514-K517 HydrophobicContact CB-CB 4.14Å; D514-K517 WeakPolarHBondContact OD1-CB 3.4Å; D514-K517 WeakPolarHBondContact OD1-CG 3.24Å; D514-K517 PolarHBondContact OD1-N 3.24Å; D514-K517 WeakPolarHBondContact OD2-CD 3.23Å; D514-K517 IonicContact OD2-NZ 2.75Å; D514-K517 PolarHBondContact OD2-NZ 2.89Å; D515-K517 PolarHBondContact O-N 2.86Å; K517-I519 VanDerWaalsContact C-N 3.32Å; K517-I519 HydrophobicContact CB-CD1 3.96Å; K517-I519 HydrophobicContact CB-CG1 3.95Å; K517-I519 HydrophobicContact CD-CD1 4.2Å; K517-I519 PolarHBondContact O-N 2.79Å |
| 518 | L | 89.6 | Confident | 85.8 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 45.4 | -174.5 | -60.3 | 173.4 | 0 | 0 | 0 | 113.8 | R439 R441 L447 T500 D514 D515 F521 Q523 | R439-L518 HydrophobicContact CB-CD1 4.27Å; R439-L518 HydrophobicContact CG-CD1 3.58Å; R441-L518 VanDerWaalsContact CD-O 3.29Å; R441-L518 WeakPolarHBondContact CD-O 3.43Å; R441-L518 WeakPolarHBondContact CG-O 3.26Å; R441-L518 PolarHBondContact NE-O 2.68Å; L447-L518 HydrophobicContact CD2-CB 4.11Å; L447-L518 HydrophobicContact CD2-CD1 4.2Å; T500-L518 HydrophobicContact CG2-CD2 3.77Å; D514-L518 CarbonylContact O-C 3.55Å; D514-L518 WeakPolarHBondContact O-CA 3.19Å; D514-L518 PolarHBondContact O-N 2.97Å; D515-L518 WeakPolarHBondContact O-CD2 3.46Å; D515-L518 PolarHBondContact O-N 3.38Å; L518-F521 HydrophobicContact CD2-CB 3.86Å; L518-Q523 HydrophobicContact CD1-CB 4.07Å; L518-Q523 HydrophobicContact CD2-CB 4.07Å |
| 519 | I | 87.8 | Confident | 86.7 | Confident | 31 Ų | 31 | 58.3 Ų | 58.3 | 16% | 0.159 | 37% | 0.367 | C | S | . | . | B | Isolated β-bridge | trans | -94.7 | 101.3 | 172.2 | -58.3 | 175 | 0 | 0 | 0 | 107.3 | V507 D511 I512 P513 D514 K517 F521 | V507-I519 HydrophobicContact CG1-CG2 3.67Å; V507-I519 HydrophobicContact CG2-CG2 4.26Å; D511-I519 HydrophobicContact CB-CG2 4.15Å; I512-I519 WeakPolarHBondContact O-CG2 3.49Å; P513-I519 VanDerWaalsContact CA-O 3.28Å; P513-I519 WeakPolarHBondContact CA-O 3.21Å; D514-I519 HydrophobicContact CB-CB 4.13Å; D514-I519 HydrophobicContact CB-CD1 4.21Å; D514-I519 HydrophobicContact CB-CG1 4.39Å; D514-I519 PolarHBondContact N-O 3.11Å; D514-I519 PolarHBondContact O-N 3.09Å; K517-I519 VanDerWaalsContact C-N 3.32Å; K517-I519 HydrophobicContact CB-CD1 3.96Å; K517-I519 HydrophobicContact CB-CG1 3.95Å; K517-I519 HydrophobicContact CD-CD1 4.2Å; K517-I519 PolarHBondContact O-N 2.79Å; I519-F521 VanDerWaalsContact C-N 3.32Å; I519-F521 WeakPolarHBondContact O-CD2 3.28Å |
| 520 | G | 88.1 | Confident | 87.6 | Confident | 8 Ų | 8 | 57 Ų | 57 | 8% | 0.082 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 78.1 | 15 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | K502 L503 G506 | K502-G520 WeakPolarHBondContact CG-O 3.39Å; L503-G520 PolarHBondContact N-O 3.03Å; G506-G520 VanDerWaalsContact O-CA 3.28Å; G506-G520 WeakPolarHBondContact O-CA 3.49Å |
| 521 | F | 94.1 | Very high | 88.4 | Confident | 41 Ų | 41 | 53.4 Ų | 53.4 | 18% | 0.18 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 156.5 | 175 | -64.5 | -102.6 | 0 | 0 | 0 | 109.4 | T500 F501 K502 P513 D515 L518 I519 | T500-F521 HydrophobicContact CG2-CB 4.22Å; T500-F521 HydrophobicContact CG2-CD1 4.36Å; F501-F521 CarbonylContact O-C 3.56Å; F501-F521 VanDerWaalsContact O-CA 3.22Å; F501-F521 WeakPolarHBondContact O-CA 3.39Å; F501-F521 WeakPolarHBondContact O-CB 3.41Å; K502-F521 VanDerWaalsContact CA-CD1 3.5Å; K502-F521 HydrophobicContact CB-CD1 3.84Å; K502-F521 HydrophobicContact CB-CE1 3.7Å; K502-F521 HydrophobicContact CB-CZ 4.36Å; K502-F521 HydrophobicContact CG-CD1 4.33Å; K502-F521 HydrophobicContact CG-CE1 4.08Å; K502-F521 HydrophobicContact CG-CZ 4.27Å; P513-F521 HydrophobicContact CB-CE2 4.05Å; D515-F521 HydrophobicContact CB-CD1 3.89Å; D515-F521 HydrophobicContact CB-CD2 4.01Å; D515-F521 HydrophobicContact CB-CE1 3.91Å; D515-F521 HydrophobicContact CB-CE2 4.03Å; D515-F521 HydrophobicContact CB-CG 3.96Å; D515-F521 HydrophobicContact CB-CZ 3.99Å; L518-F521 HydrophobicContact CD2-CB 3.86Å; I519-F521 VanDerWaalsContact C-N 3.32Å; I519-F521 WeakPolarHBondContact O-CD2 3.28Å |
| 522 | A | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 158.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | L438 R439 L440 T500 F501 L503 | L438-A522 HydrophobicContact CD1-CB 3.95Å; R439-A522 CarbonylContact O-C 3.56Å; R439-A522 VanDerWaalsContact O-CA 3.31Å; R439-A522 WeakPolarHBondContact O-CA 3.29Å; L440-A522 HydrophobicContact CB-CB 3.71Å; T500-A522 CarbonylContact C-O 3.56Å; T500-A522 WeakPolarHBondContact CA-O 3.28Å; F501-A522 HydrophobicContact CE1-CB 4.35Å; F501-A522 HydrophobicContact CE2-CB 3.95Å; F501-A522 HydrophobicContact CZ-CB 3.83Å; F501-A522 PolarHBondContact N-O 3.43Å; F501-A522 PolarHBondContact O-N 2.9Å; L503-A522 HydrophobicContact CD1-CB 4.44Å; L503-A522 HydrophobicContact CD2-CB 3.82Å; L503-A522 HydrophobicContact CG-CB 4.29Å |
| 523 | Q | 94.5 | Very high | 89.4 | Confident | 50 Ų | 50 | 47.5 Ų | 47.5 | 23% | 0.234 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 122.2 | 174.4 | 173.6 | 169.4 | 87.8 | 0 | 0 | 108.6 | L438 R439 V499 T500 L518 | L438-Q523 CarbonylContact C-O 3.46Å; L438-Q523 WeakPolarHBondContact CA-O 3.4Å; R439-Q523 HydrophobicContact CB-CB 4.5Å; R439-Q523 PolarHBondContact N-O 3.17Å; R439-Q523 PolarHBondContact O-N 3.05Å; V499-Q523 WeakPolarHBondContact O-CA 3.36Å; T500-Q523 PolarHBondContact OG1-NE2 2.57Å; L518-Q523 HydrophobicContact CD1-CB 4.07Å; L518-Q523 HydrophobicContact CD2-CB 4.07Å |
| 524 | L | 93.6 | Very high | 89.6 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 130 | 169.6 | -174.6 | 73.6 | 0 | 0 | 0 | 108.5 | L436 V437 L438 F452 L486 I489 S498 V499 F501 | L436-L524 HydrophobicContact CB-CD1 4.47Å; V437-L524 CarbonylContact O-C 3.49Å; V437-L524 WeakPolarHBondContact O-CA 3.22Å; L438-L524 HydrophobicContact CB-CD1 3.82Å; L438-L524 HydrophobicContact CD1-CB 4.19Å; L438-L524 HydrophobicContact CD1-CD1 4.2Å; F452-L524 HydrophobicContact CE1-CD1 3.96Å; F452-L524 HydrophobicContact CZ-CD1 3.73Å; L486-L524 VanDerWaalsContact CA-CD2 3.48Å; L486-L524 HydrophobicContact CB-CD2 3.89Å; L486-L524 HydrophobicContact CD1-CD2 3.9Å; I489-L524 HydrophobicContact CB-CD2 4.43Å; I489-L524 HydrophobicContact CD1-CB 3.97Å; I489-L524 HydrophobicContact CD1-CD2 3.76Å; I489-L524 HydrophobicContact CD1-CG 3.76Å; I489-L524 VanDerWaalsContact CD1-O 3.23Å; I489-L524 WeakPolarHBondContact CD1-O 3.33Å; I489-L524 HydrophobicContact CG1-CD2 4.24Å; S498-L524 CarbonylContact C-O 3.56Å; S498-L524 WeakPolarHBondContact CA-O 3.46Å; V499-L524 PolarHBondContact N-O 3.19Å; V499-L524 PolarHBondContact O-N 3.28Å; F501-L524 HydrophobicContact CE1-CB 3.95Å |
| 525 | S | 92.6 | Very high | 89.6 | Confident | 27 Ų | 27 | 46.5 Ų | 46.5 | 19% | 0.189 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 158.9 | 177.3 | 56.8 | 0 | 0 | 0 | 0 | 112.4 | L436 V437 R497 | L436-S525 CarbonylContact C-O 3.56Å; L436-S525 VanDerWaalsContact CA-O 3.28Å; L436-S525 WeakPolarHBondContact CA-O 3.41Å; V437-S525 PolarHBondContact N-O 2.88Å; V437-S525 PolarHBondContact O-N 3.42Å; R497-S525 CarbonylContact O-C 3.56Å; R497-S525 VanDerWaalsContact O-CA 3.28Å; R497-S525 WeakPolarHBondContact O-CA 3.33Å; R497-S525 WeakPolarHBondContact O-CB 3.47Å |
| 526 | I | 89.5 | Confident | 89.6 | Confident | 40 Ų | 40 | 42 Ų | 42 | 21% | 0.205 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 136.1 | 167.3 | -58.1 | 175.6 | 0 | 0 | 0 | 107.9 | I434 S435 L436 I489 P493 R497 | I434-I526 HydrophobicContact CG2-CD1 4.29Å; I434-I526 HydrophobicContact CG2-CG1 4.15Å; I434-I526 HydrophobicContact CG2-CG2 4.17Å; S435-I526 WeakPolarHBondContact O-CA 3.3Å; L436-I526 HydrophobicContact CD2-CG1 3.88Å; I489-I526 HydrophobicContact CG2-CD1 3.8Å; I489-I526 HydrophobicContact CG2-CG1 3.58Å; P493-I526 HydrophobicContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact CB-CD1 3.49Å; P493-I526 VanDerWaalsContact O-CD1 3.27Å; P493-I526 WeakPolarHBondContact O-CD1 3.29Å; R497-I526 PolarHBondContact O-N 3.41Å |
| 527 | S | 80.1 | Confident | 90 | Very high | 107 Ų | 107 | 39.4 Ų | 39.4 | 75% | 0.748 | 22% | 0.215 | S | C | * | . | trans | -86.4 | 0 | -180 | -165.1 | 0 | 0 | 0 | 0 | 114 | S435 R451 | S435-S527 PolarHBondContact O-N 3.4Å; R451-S527 PolarHBondContact NH1-OG 3.24Å |
Retrieved 527 of 527 residues in 2653.1 ms
(Link to these results)