| 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 | 39.5 | Very low | 71.4 | Confident | 220 Ų | 220 | 118.4 Ų | 118.4 | 100% | 1.084 | 65% | 0.653 | S | S | * | * | 0 | 97.9 | 0 | -78.5 | -176.1 | -173.4 | 0 | 0 | 105.8 | W3 | M1-W3 PolarHBondContact O-N 2.62Š| |||
| 2 | D | 44.5 | Very low | 73.4 | Confident | 169 Ų | 169 | 108.8 Ų | 108.8 | 90% | 0.904 | 60% | 0.6 | S | S | * | * | trans | -69.1 | 108 | -179.8 | -62.5 | -45.6 | 0 | 0 | 0 | 108.6 | G4 | D2-G4 PolarHBondContact O-N 3.29Š| ||
| 3 | W | 53.4 | Low | 75.1 | Confident | 239 Ų | 239 | 103.2 Ų | 103.2 | 91% | 0.905 | 57% | 0.568 | S | S | * | * | trans | -69.3 | 123.9 | 171.2 | -69.3 | 82.4 | 0 | 0 | 0 | 107 | M1 | M1-W3 PolarHBondContact O-N 2.62Š| ||
| 4 | G | 57 | Low | 76.6 | Confident | 54 Ų | 54 | 103.7 Ų | 103.7 | 56% | 0.557 | 57% | 0.565 | S | S | * | * | trans | -55.6 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D2 V6 | D2-G4 PolarHBondContact O-N 3.29Å; G4-V6 PolarHBondContact O-N 3.11Å | ||
| 5 | P | 53.1 | Low | 78 | Confident | 137 Ų | 137 | 102.4 Ų | 102.4 | 89% | 0.89 | 56% | 0.556 | S | S | * | * | trans | -59.6 | 105.9 | -171.1 | 24.7 | -32.5 | 0 | 0 | 0 | 110.1 | L7 | P5-L7 PolarHBondContact O-N 3.38Š| ||
| 6 | V | 75.7 | Confident | 79.2 | Confident | 88 Ų | 88 | 96.4 Ų | 96.4 | 53% | 0.533 | 52% | 0.523 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 124.5 | 169.8 | 177.9 | 0 | 0 | 0 | 0 | 106 | G4 P8 Q33 | G4-V6 PolarHBondContact O-N 3.11Å; V6-P8 WeakPolarHBondContact O-CD 3.37Å; V6-Q33 VanDerWaalsContact CG1-CD 3.47Å |
| 7 | L | 87.3 | Confident | 80.2 | Confident | 84 Ų | 84 | 94 Ų | 94 | 44% | 0.44 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -48.6 | 125.3 | 171.6 | -86 | 155.7 | 0 | 0 | 0 | 108.3 | P5 L11 V12 Q33 | P5-L7 PolarHBondContact O-N 3.38Å; L7-L11 HydrophobicContact CD2-CB 3.98Å; L7-L11 HydrophobicContact CD2-CD1 3.79Å; L7-V12 HydrophobicContact CB-CG2 3.9Å; L7-Q33 PolarHBondContact O-NE2 2.83Å |
| 8 | P | 92.8 | Very high | 81.1 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -54.2 | 146.6 | 174.9 | -26.4 | 33.8 | 0 | 0 | 0 | 111.3 | V6 S10 L11 V12 | V6-P8 WeakPolarHBondContact O-CD 3.37Å; P8-S10 PolarHBondContact O-N 3.05Å; P8-L11 PolarHBondContact O-N 2.98Å; P8-V12 PolarHBondContact O-N 3.01Å; P8-V12 VanDerWaalsContact O-N 3.13Å |
| 9 | D | 93.3 | Very high | 81.9 | Confident | 88 Ų | 88 | 95.5 Ų | 95.5 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -53 | -33.2 | 179.8 | -71.8 | -3.2 | 0 | 0 | 0 | 112.1 | L11 V12 L13 Q33 V37 | D9-L11 PolarHBondContact O-N 2.96Å; D9-V12 PolarHBondContact O-N 3.14Å; D9-L13 VanDerWaalsContact O-CB 3.24Å; D9-L13 WeakPolarHBondContact O-CB 3.26Å; D9-L13 PolarHBondContact O-N 2.88Å; D9-Q33 VanDerWaalsContact OD1-CG 3.27Å; D9-Q33 WeakPolarHBondContact OD1-CG 3.03Å; D9-Q33 PolarHBondContact OD1-NE2 3.48Å; D9-V37 HydrophobicContact CB-CG2 3.94Å |
| 10 | S | 94.2 | Very high | 82.6 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.9 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | P8 E14 | P8-S10 PolarHBondContact O-N 3.05Å; S10-E14 WeakPolarHBondContact O-CB 3.15Å; S10-E14 PolarHBondContact O-N 3.48Å |
| 11 | L | 94.8 | Very high | 83.2 | Confident | 71 Ų | 71 | 91 Ų | 91 | 37% | 0.372 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.5 | -36.7 | 176.5 | -67.5 | -174.4 | 0 | 0 | 0 | 111.2 | L7 P8 D9 L13 E14 I15 | L7-L11 HydrophobicContact CD2-CB 3.98Å; L7-L11 HydrophobicContact CD2-CD1 3.79Å; P8-L11 PolarHBondContact O-N 2.98Å; D9-L11 PolarHBondContact O-N 2.96Å; L11-L13 VanDerWaalsContact C-N 3.29Å; L11-L13 PolarHBondContact O-N 2.77Å; L11-E14 PolarHBondContact O-N 3.47Å; L11-I15 WeakPolarHBondContact O-CD1 3.09Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.32Å; L11-I15 PolarHBondContact O-N 3.46Å |
| 12 | V | 95.1 | Very high | 85.8 | Confident | 4 Ų | 4 | 83.4 Ų | 83.4 | 2% | 0.024 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.4 | -41.3 | 173.1 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | L7 P8 D9 I15 F16 W34 V37 | L7-V12 HydrophobicContact CB-CG2 3.9Å; P8-V12 PolarHBondContact O-N 3.01Å; P8-V12 VanDerWaalsContact O-N 3.13Å; D9-V12 PolarHBondContact O-N 3.14Å; V12-I15 PolarHBondContact O-N 3.33Å; V12-F16 HydrophobicContact CG1-CD1 4.25Å; V12-F16 HydrophobicContact CG1-CD2 4.41Å; V12-F16 HydrophobicContact CG1-CE1 3.89Å; V12-F16 HydrophobicContact CG1-CE2 4.05Å; V12-F16 HydrophobicContact CG1-CZ 3.78Å; V12-F16 WeakPolarHBondContact O-CB 3.17Å; V12-F16 WeakPolarHBondContact O-CD1 3.28Å; V12-F16 WeakPolarHBondContact O-CG 3.49Å; V12-F16 PolarHBondContact O-N 3.18Å; V12-W34 HydrophobicContact CG1-CG 4.42Å; V12-V37 HydrophobicContact CB-CG1 4.21Å; V12-V37 HydrophobicContact CB-CG2 4.37Å; V12-V37 HydrophobicContact CG1-CB 4.11Å; V12-V37 HydrophobicContact CG1-CG1 3.9Å; V12-V37 HydrophobicContact CG1-CG2 4.27Å |
| 13 | L | 96 | Very high | 88.3 | Confident | 35 Ų | 35 | 76.3 Ų | 76.3 | 18% | 0.183 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61 | -47.4 | 175.3 | -178 | 72.5 | 0 | 0 | 0 | 111.5 | D9 L11 I15 F16 L17 V37 D40 F42 L43 | D9-L13 VanDerWaalsContact O-CB 3.24Å; D9-L13 WeakPolarHBondContact O-CB 3.26Å; D9-L13 PolarHBondContact O-N 2.88Å; L11-L13 VanDerWaalsContact C-N 3.29Å; L11-L13 PolarHBondContact O-N 2.77Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 2.78Å; L13-F16 PolarHBondContact O-N 2.7Å; L13-F16 VanDerWaalsContact O-N 3.13Å; L13-L17 WeakPolarHBondContact O-CG 3.15Å; L13-L17 PolarHBondContact O-N 3.23Å; L13-V37 HydrophobicContact CB-CG1 4Å; L13-V37 HydrophobicContact CD1-CG1 4.2Å; L13-D40 HydrophobicContact CD1-CB 4.2Å; L13-F42 HydrophobicContact CD2-CD1 4.09Å; L13-L43 HydrophobicContact CD1-CB 3.62Å; L13-L43 HydrophobicContact CD1-CD1 4.27Å; L13-L43 HydrophobicContact CD1-CD2 4.42Å; L13-L43 HydrophobicContact CD1-CG 4.31Å |
| 14 | E | 96.5 | Very high | 90.4 | Very high | 111 Ų | 111 | 65 Ų | 65 | 52% | 0.519 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.9 | -42.7 | 177.2 | -171.4 | 175.1 | -177.3 | 0 | 0 | 111.9 | S10 L11 L17 | S10-E14 WeakPolarHBondContact O-CB 3.15Å; S10-E14 PolarHBondContact O-N 3.48Å; L11-E14 PolarHBondContact O-N 3.47Å; E14-L17 PolarHBondContact O-N 2.72Å |
| 15 | I | 96.3 | Very high | 92.2 | Very high | 84 Ų | 84 | 64.7 Ų | 64.7 | 43% | 0.431 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -46.3 | 173 | -66.5 | 163.2 | 0 | 0 | 0 | 110.4 | L11 V12 L13 L17 H18 | L11-I15 WeakPolarHBondContact O-CD1 3.09Å; L11-I15 VanDerWaalsContact O-CG1 3.23Å; L11-I15 WeakPolarHBondContact O-CG1 3.32Å; L11-I15 PolarHBondContact O-N 3.46Å; V12-I15 PolarHBondContact O-N 3.33Å; L13-I15 VanDerWaalsContact C-N 3.33Å; L13-I15 PolarHBondContact O-N 2.78Å; I15-L17 VanDerWaalsContact C-N 3.3Å; I15-L17 PolarHBondContact O-N 2.81Å; I15-H18 PolarHBondContact O-N 2.76Å; I15-H18 VanDerWaalsContact O-N 3.11Å |
| 16 | F | 97.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.1 | -28.9 | -177.6 | -77 | 10.4 | 0 | 0 | 0 | 113.2 | V12 L13 H18 L19 V24 A27 W34 V37 L43 | V12-F16 HydrophobicContact CG1-CD1 4.25Å; V12-F16 HydrophobicContact CG1-CD2 4.41Å; V12-F16 HydrophobicContact CG1-CE1 3.89Å; V12-F16 HydrophobicContact CG1-CE2 4.05Å; V12-F16 HydrophobicContact CG1-CZ 3.78Å; V12-F16 WeakPolarHBondContact O-CB 3.17Å; V12-F16 WeakPolarHBondContact O-CD1 3.28Å; V12-F16 WeakPolarHBondContact O-CG 3.49Å; V12-F16 PolarHBondContact O-N 3.18Å; L13-F16 PolarHBondContact O-N 2.7Å; L13-F16 VanDerWaalsContact O-N 3.13Å; F16-H18 PolarHBondContact O-N 3.03Å; F16-L19 HydrophobicContact CD1-CD1 3.84Å; F16-L19 HydrophobicContact CE1-CD1 4.31Å; F16-L19 PolarHBondContact O-N 3.46Å; F16-L19 VanDerWaalsContact O-N 3.1Å; F16-V24 HydrophobicContact CB-CG2 4.13Å; F16-V24 HydrophobicContact CD2-CG1 4.01Å; F16-V24 HydrophobicContact CG-CG1 4.47Å; F16-V24 HydrophobicContact CG-CG2 4.43Å; F16-V24 WeakPolarHBondContact O-CG2 3.2Å; F16-A27 HydrophobicContact CE1-CB 3.82Å; F16-A27 HydrophobicContact CZ-CB 3.68Å; F16-W34 HydrophobicContact CZ-CB 4.06Å; F16-W34 HydrophobicContact CZ-CD2 4.32Å; F16-W34 HydrophobicContact CZ-CE3 4.32Å; F16-W34 HydrophobicContact CZ-CG 4.21Å; F16-V37 HydrophobicContact CD2-CG1 3.96Å; F16-V37 HydrophobicContact CE2-CB 4.33Å; F16-V37 HydrophobicContact CE2-CG1 4.24Å; F16-L43 HydrophobicContact CB-CD1 3.88Å; F16-L43 HydrophobicContact CB-CD2 3.91Å; F16-L43 HydrophobicContact CD2-CD2 3.95Å; F16-L43 HydrophobicContact CG-CD2 4.46Å |
| 17 | L | 96.9 | Very high | 95.3 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 29% | 0.293 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -19 | 173.8 | -74.4 | 166.1 | 0 | 0 | 0 | 113.4 | L13 E14 I15 F42 L43 E46 | L13-L17 WeakPolarHBondContact O-CG 3.15Å; L13-L17 PolarHBondContact O-N 3.23Å; E14-L17 PolarHBondContact O-N 2.72Å; I15-L17 VanDerWaalsContact C-N 3.3Å; I15-L17 PolarHBondContact O-N 2.81Å; L17-F42 HydrophobicContact CD1-CE1 4.07Å; L17-L43 HydrophobicContact CD2-CD1 3.73Å; L17-L43 HydrophobicContact CG-CD1 3.88Å; L17-E46 HydrophobicContact CD2-CB 3.48Å; L17-E46 VanDerWaalsContact CD2-CB 3.48Å; L17-E46 HydrophobicContact CD2-CG 3.97Å |
| 18 | H | 96.3 | Very high | 95.6 | Very high | 157 Ų | 157 | 58.5 Ų | 58.5 | 73% | 0.727 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -1 | 176.4 | -64.3 | -23.4 | 0 | 0 | 0 | 113.5 | I15 F16 | I15-H18 PolarHBondContact O-N 2.76Å; I15-H18 VanDerWaalsContact O-N 3.11Å; F16-H18 PolarHBondContact O-N 3.03Å |
| 19 | L | 96.2 | Very high | 95.8 | Very high | 59 Ų | 59 | 61.8 Ų | 61.8 | 31% | 0.309 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -98.1 | 147.9 | 178.2 | -63.5 | -179.3 | 0 | 0 | 0 | 111 | F16 A23 V24 | F16-L19 HydrophobicContact CD1-CD1 3.84Å; F16-L19 HydrophobicContact CE1-CD1 4.31Å; F16-L19 PolarHBondContact O-N 3.46Å; F16-L19 VanDerWaalsContact O-N 3.1Å; L19-A23 HydrophobicContact CB-CB 4.19Å; L19-V24 HydrophobicContact CB-CG2 3.74Å |
| 20 | P | 95.4 | Very high | 95.8 | Very high | 73 Ų | 73 | 61.9 Ų | 61.9 | 47% | 0.474 | 33% | 0.325 | S | S | . | . | trans | -65.9 | 154.8 | 167.9 | 31 | -35.6 | 0 | 0 | 0 | 110.5 | D22 A23 V24 | P20-D22 VanDerWaalsContact CB-OD1 3.32Å; P20-D22 WeakPolarHBondContact CB-OD1 3.31Å; P20-D22 WeakPolarHBondContact CG-OD1 3.41Å; P20-D22 PolarHBondContact O-N 3.44Å; P20-D22 VanDerWaalsContact O-N 3.14Å; P20-A23 HydrophobicContact CG-CB 3.76Å; P20-A23 WeakPolarHBondContact O-CB 3.49Å; P20-A23 PolarHBondContact O-N 2.72Å; P20-V24 PolarHBondContact O-N 3.15Å | ||
| 21 | H | 94.8 | Very high | 95.8 | Very high | 23 Ų | 23 | 60.8 Ų | 60.8 | 11% | 0.106 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -55 | -35.9 | -173 | 64.4 | -86.6 | 0 | 0 | 0 | 113.5 | L25 W44 Y51 F71 Y75 | H21-L25 VanDerWaalsContact O-CG 3.31Å; H21-L25 WeakPolarHBondContact O-CG 3.3Å; H21-L25 PolarHBondContact O-N 2.65Å; H21-L25 VanDerWaalsContact O-N 3.07Å; H21-W44 HydrophobicContact CB-CH2 4.01Å; H21-W44 HydrophobicContact CB-CZ3 3.91Å; H21-Y51 AromaticContact CE1-CE2 3.76Å; H21-Y51 AromaticContact ND1-CD2 3.95Å; H21-Y51 AromaticContact ND1-CE2 3.73Å; H21-F71 HydrophobicContact CB-CE1 4Å; H21-F71 HydrophobicContact CB-CE2 4.47Å; H21-F71 HydrophobicContact CB-CZ 3.78Å; H21-F71 AromaticContact CD2-CE1 3.89Å; H21-F71 AromaticContact CG-CE1 3.73Å; H21-F71 AromaticContact CG-CZ 3.65Å; H21-F71 AromaticContact ND1-CZ 3.76Å; H21-Y75 AromaticContact CE1-CE2 3.58Å; H21-Y75 AromaticContact NE2-CE2 3.41Å; H21-Y75 WeakPolarHBondContact NE2-CE2 3.38Å; H21-Y75 AromaticContact NE2-CZ 3.47Å |
| 22 | D | 94.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 68 Ų | 68 | 33% | 0.326 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.9 | -36 | 178.2 | 70.6 | -61.4 | 0 | 0 | 0 | 112.2 | P20 L25 R26 | P20-D22 VanDerWaalsContact CB-OD1 3.32Å; P20-D22 WeakPolarHBondContact CB-OD1 3.31Å; P20-D22 WeakPolarHBondContact CG-OD1 3.41Å; P20-D22 PolarHBondContact O-N 3.44Å; P20-D22 VanDerWaalsContact O-N 3.14Å; D22-L25 PolarHBondContact O-N 3.3Å; D22-R26 WeakPolarHBondContact O-CB 3.29Å; D22-R26 WeakPolarHBondContact O-CG 3.5Å; D22-R26 PolarHBondContact O-N 3.49Å; D22-R26 IonicContact OD2-CZ 2.68Å; D22-R26 IonicContact OD2-NE 3.79Å; D22-R26 IonicContact OD2-NH2 2.71Å; D22-R26 PolarHBondContact OD2-NH2 2.97Å |
| 23 | A | 97.1 | Very high | 95.6 | Very high | 21 Ų | 21 | 70 Ų | 70 | 17% | 0.174 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.4 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L19 P20 L25 R26 A27 | L19-A23 HydrophobicContact CB-CB 4.19Å; P20-A23 HydrophobicContact CG-CB 3.76Å; P20-A23 WeakPolarHBondContact O-CB 3.49Å; P20-A23 PolarHBondContact O-N 2.72Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.44Å; A23-R26 PolarHBondContact O-N 3.27Å; A23-A27 VanDerWaalsContact O-CB 3.28Å; A23-A27 WeakPolarHBondContact O-CB 3.29Å; A23-A27 PolarHBondContact O-N 3.49Å |
| 24 | V | 96.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.6 | -46.9 | 171.5 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | F16 L19 P20 A27 G28 L43 W44 L47 | F16-V24 HydrophobicContact CB-CG2 4.13Å; F16-V24 HydrophobicContact CD2-CG1 4.01Å; F16-V24 HydrophobicContact CG-CG1 4.47Å; F16-V24 HydrophobicContact CG-CG2 4.43Å; F16-V24 WeakPolarHBondContact O-CG2 3.2Å; L19-V24 HydrophobicContact CB-CG2 3.74Å; P20-V24 PolarHBondContact O-N 3.15Å; V24-A27 PolarHBondContact O-N 3.08Å; V24-G28 PolarHBondContact O-N 3.38Å; V24-L43 HydrophobicContact CG1-CD2 3.76Å; V24-W44 HydrophobicContact CG1-CZ2 4.38Å; V24-L47 HydrophobicContact CG2-CD1 4.23Å |
| 25 | L | 95.4 | Very high | 95.5 | Very high | 48 Ų | 48 | 72.4 Ų | 72.4 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.5 | -42.6 | 178.5 | -71.7 | 174.7 | 0 | 0 | 0 | 112.3 | H21 D22 A23 G28 L29 W44 Y68 | H21-L25 VanDerWaalsContact O-CG 3.31Å; H21-L25 WeakPolarHBondContact O-CG 3.3Å; H21-L25 PolarHBondContact O-N 2.65Å; H21-L25 VanDerWaalsContact O-N 3.07Å; D22-L25 PolarHBondContact O-N 3.3Å; A23-L25 VanDerWaalsContact C-N 3.33Å; A23-L25 PolarHBondContact O-N 3.44Å; L25-G28 PolarHBondContact O-N 3.37Å; L25-L29 PolarHBondContact O-N 3.04Å; L25-W44 HydrophobicContact CD1-CH2 4.21Å; L25-W44 HydrophobicContact CD2-CH2 4.1Å; L25-W44 HydrophobicContact CD2-CZ2 3.69Å; L25-W44 HydrophobicContact CG-CH2 3.98Å; L25-W44 HydrophobicContact CG-CZ2 3.99Å; L25-Y68 HydrophobicContact CD2-CE2 3.96Å |
| 26 | R | 97.3 | Very high | 95.4 | Very high | 161 Ų | 161 | 71.4 Ų | 71.4 | 61% | 0.608 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 176 | -75.2 | -175.3 | -73.4 | 169 | -4.3 | 112 | D22 A23 G28 L29 | D22-R26 WeakPolarHBondContact O-CB 3.29Å; D22-R26 WeakPolarHBondContact O-CG 3.5Å; D22-R26 PolarHBondContact O-N 3.49Å; D22-R26 IonicContact OD2-CZ 2.68Å; D22-R26 IonicContact OD2-NE 3.79Å; D22-R26 IonicContact OD2-NH2 2.71Å; D22-R26 PolarHBondContact OD2-NH2 2.97Å; A23-R26 PolarHBondContact O-N 3.27Å; R26-G28 VanDerWaalsContact C-N 3.29Å; R26-G28 PolarHBondContact O-N 2.94Å; R26-L29 WeakPolarHBondContact O-CB 3.36Å; R26-L29 PolarHBondContact O-N 2.6Å; R26-L29 VanDerWaalsContact O-N 3.1Å |
| 27 | A | 95.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 71.5 Ų | 71.5 | 12% | 0.124 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.8 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F16 A23 V24 L29 T30 W34 | F16-A27 HydrophobicContact CE1-CB 3.82Å; F16-A27 HydrophobicContact CZ-CB 3.68Å; A23-A27 VanDerWaalsContact O-CB 3.28Å; A23-A27 WeakPolarHBondContact O-CB 3.29Å; A23-A27 PolarHBondContact O-N 3.49Å; V24-A27 PolarHBondContact O-N 3.08Å; A27-L29 PolarHBondContact O-N 2.79Å; A27-L29 VanDerWaalsContact O-N 3.09Å; A27-T30 WeakPolarHBondContact O-CB 3.49Å; A27-T30 WeakPolarHBondContact O-CG2 3.4Å; A27-T30 PolarHBondContact O-N 3.31Å; A27-T30 VanDerWaalsContact O-N 3.1Å; A27-T30 PolarHBondContact O-OG1 3.26Å; A27-W34 HydrophobicContact CB-CE3 4.07Å; A27-W34 HydrophobicContact CB-CZ3 4.44Å |
| 28 | G | 95 | Very high | 95.3 | Very high | 3 Ų | 3 | 68.9 Ų | 68.9 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -15.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115 | V24 L25 R26 Q35 | V24-G28 PolarHBondContact O-N 3.38Å; L25-G28 PolarHBondContact O-N 3.37Å; R26-G28 VanDerWaalsContact C-N 3.29Å; R26-G28 PolarHBondContact O-N 2.94Å; G28-Q35 VanDerWaalsContact O-CA 3.24Å; G28-Q35 WeakPolarHBondContact O-CA 3.36Å; G28-Q35 WeakPolarHBondContact O-CB 3.5Å; G28-Q35 WeakPolarHBondContact O-CG 3.4Å |
| 29 | L | 96.3 | Very high | 95.2 | Very high | 143 Ų | 143 | 66.4 Ų | 66.4 | 75% | 0.749 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -5.2 | 176.9 | -60.4 | 176.2 | 0 | 0 | 0 | 113.6 | L25 R26 A27 | L25-L29 PolarHBondContact O-N 3.04Å; R26-L29 WeakPolarHBondContact O-CB 3.36Å; R26-L29 PolarHBondContact O-N 2.6Å; R26-L29 VanDerWaalsContact O-N 3.1Å; A27-L29 PolarHBondContact O-N 2.79Å; A27-L29 VanDerWaalsContact O-N 3.09Å |
| 30 | T | 94.4 | Very high | 95.3 | Very high | 90 Ų | 90 | 66.6 Ų | 66.6 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -45.7 | -172.7 | 64.9 | 0 | 0 | 0 | 0 | 113.2 | A27 W34 | A27-T30 WeakPolarHBondContact O-CB 3.49Å; A27-T30 WeakPolarHBondContact O-CG2 3.4Å; A27-T30 PolarHBondContact O-N 3.31Å; A27-T30 VanDerWaalsContact O-N 3.1Å; A27-T30 PolarHBondContact O-OG1 3.26Å; T30-W34 HydrophobicContact CG2-CE3 4.26Å; T30-W34 HydrophobicContact CG2-CZ3 4.31Å |
| 31 | C | 92.6 | Very high | 95.3 | Very high | 55 Ų | 55 | 67 Ų | 67 | 37% | 0.372 | 33% | 0.328 | S | S | . | . | trans | -151.9 | 163.6 | -178.3 | 81.7 | 0 | 0 | 0 | 0 | 111.6 | Q33 W34 Q35 | C31-Q33 PolarHBondContact O-N 3.19Å; C31-W34 PolarHBondContact O-N 3.48Å; C31-W34 VanDerWaalsContact SG-CD1 3.52Å; C31-W34 VanDerWaalsContact SG-CG 3.52Å; C31-W34 PolarHBondContact SG-N 2.83Å; C31-Q35 WeakPolarHBondContact O-CB 3.17Å; C31-Q35 PolarHBondContact O-N 3.01Å | ||
| 32 | R | 92.6 | Very high | 95.4 | Very high | 222 Ų | 222 | 70.2 Ų | 70.2 | 84% | 0.838 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.1 | -39.3 | -176 | -70.1 | -176 | 179.9 | 176 | 0.1 | 113.7 | Q35 A36 | R32-Q35 WeakPolarHBondContact O-CB 3.27Å; R32-Q35 PolarHBondContact O-N 3.28Å; R32-A36 PolarHBondContact O-N 3.16Å |
| 33 | Q | 93.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 67.3 Ų | 67.3 | 22% | 0.224 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 179 | -174.2 | -165.4 | 12.2 | 0 | 0 | 110.3 | V6 L7 D9 C31 Q35 A36 V37 | V6-Q33 VanDerWaalsContact CG1-CD 3.47Å; L7-Q33 PolarHBondContact O-NE2 2.83Å; D9-Q33 VanDerWaalsContact OD1-CG 3.27Å; D9-Q33 WeakPolarHBondContact OD1-CG 3.03Å; D9-Q33 PolarHBondContact OD1-NE2 3.48Å; C31-Q33 PolarHBondContact O-N 3.19Å; Q33-Q35 VanDerWaalsContact C-N 3.27Å; Q33-Q35 PolarHBondContact O-N 3.29Å; Q33-A36 WeakPolarHBondContact O-CB 3.11Å; Q33-A36 PolarHBondContact O-N 3.43Å; Q33-A36 VanDerWaalsContact O-N 3.1Å; Q33-V37 WeakPolarHBondContact O-CG2 3.45Å; Q33-V37 PolarHBondContact O-N 3.47Å |
| 34 | W | 95.3 | Very high | 95.6 | Very high | 91 Ų | 91 | 66.3 Ų | 66.3 | 35% | 0.345 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -34 | 179.5 | -67.6 | 16.4 | 0 | 0 | 0 | 111.3 | V12 F16 A27 T30 C31 A36 V37 S38 | V12-W34 HydrophobicContact CG1-CG 4.42Å; F16-W34 HydrophobicContact CZ-CB 4.06Å; F16-W34 HydrophobicContact CZ-CD2 4.32Å; F16-W34 HydrophobicContact CZ-CE3 4.32Å; F16-W34 HydrophobicContact CZ-CG 4.21Å; A27-W34 HydrophobicContact CB-CE3 4.07Å; A27-W34 HydrophobicContact CB-CZ3 4.44Å; T30-W34 HydrophobicContact CG2-CE3 4.26Å; T30-W34 HydrophobicContact CG2-CZ3 4.31Å; C31-W34 PolarHBondContact O-N 3.48Å; C31-W34 VanDerWaalsContact SG-CD1 3.52Å; C31-W34 VanDerWaalsContact SG-CG 3.52Å; C31-W34 PolarHBondContact SG-N 2.83Å; W34-A36 VanDerWaalsContact C-N 3.34Å; W34-A36 PolarHBondContact O-N 3.08Å; W34-V37 PolarHBondContact O-N 3.48Å; W34-S38 WeakPolarHBondContact O-CB 3.42Å; W34-S38 PolarHBondContact O-N 3.02Å; W34-S38 PolarHBondContact O-OG 3.45Å |
| 35 | Q | 95.7 | Very high | 95.6 | Very high | 104 Ų | 104 | 70.4 Ų | 70.4 | 49% | 0.486 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 171.5 | -166.9 | -179.6 | 14 | 0 | 0 | 111.3 | G28 C31 R32 Q33 S38 R39 | G28-Q35 VanDerWaalsContact O-CA 3.24Å; G28-Q35 WeakPolarHBondContact O-CA 3.36Å; G28-Q35 WeakPolarHBondContact O-CB 3.5Å; G28-Q35 WeakPolarHBondContact O-CG 3.4Å; C31-Q35 WeakPolarHBondContact O-CB 3.17Å; C31-Q35 PolarHBondContact O-N 3.01Å; R32-Q35 WeakPolarHBondContact O-CB 3.27Å; R32-Q35 PolarHBondContact O-N 3.28Å; Q33-Q35 VanDerWaalsContact C-N 3.27Å; Q33-Q35 PolarHBondContact O-N 3.29Å; Q35-S38 PolarHBondContact O-OG 3.01Å; Q35-R39 VanDerWaalsContact O-CG 3.32Å; Q35-R39 WeakPolarHBondContact O-CG 3.41Å; Q35-R39 PolarHBondContact O-N 3.04Å |
| 36 | A | 94.5 | Very high | 95.6 | Very high | 64 Ų | 64 | 69.1 Ų | 69.1 | 53% | 0.529 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.3 | -50 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R32 Q33 W34 S38 R39 | R32-A36 PolarHBondContact O-N 3.16Å; Q33-A36 WeakPolarHBondContact O-CB 3.11Å; Q33-A36 PolarHBondContact O-N 3.43Å; Q33-A36 VanDerWaalsContact O-N 3.1Å; W34-A36 VanDerWaalsContact C-N 3.34Å; W34-A36 PolarHBondContact O-N 3.08Å; A36-S38 VanDerWaalsContact C-N 3.32Å; A36-S38 PolarHBondContact O-N 3.21Å; A36-R39 PolarHBondContact O-N 3.18Å |
| 37 | V | 95.6 | Very high | 95.6 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 179.4 | 179.8 | 0 | 0 | 0 | 0 | 111.4 | D9 V12 L13 F16 Q33 W34 R39 D40 L43 | D9-V37 HydrophobicContact CB-CG2 3.94Å; V12-V37 HydrophobicContact CB-CG1 4.21Å; V12-V37 HydrophobicContact CB-CG2 4.37Å; V12-V37 HydrophobicContact CG1-CB 4.11Å; V12-V37 HydrophobicContact CG1-CG1 3.9Å; V12-V37 HydrophobicContact CG1-CG2 4.27Å; L13-V37 HydrophobicContact CB-CG1 4Å; L13-V37 HydrophobicContact CD1-CG1 4.2Å; F16-V37 HydrophobicContact CD2-CG1 3.96Å; F16-V37 HydrophobicContact CE2-CB 4.33Å; F16-V37 HydrophobicContact CE2-CG1 4.24Å; Q33-V37 WeakPolarHBondContact O-CG2 3.45Å; Q33-V37 PolarHBondContact O-N 3.47Å; W34-V37 PolarHBondContact O-N 3.48Å; V37-R39 PolarHBondContact O-N 3.07Å; V37-D40 VanDerWaalsContact O-CB 3.24Å; V37-D40 WeakPolarHBondContact O-CB 3.05Å; V37-D40 PolarHBondContact O-N 3.31Å; V37-D40 VanDerWaalsContact O-N 3.08Å; V37-L43 WeakPolarHBondContact O-CD2 3.33Å |
| 38 | S | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -8.8 | 176 | 75.4 | 0 | 0 | 0 | 0 | 114.1 | W34 Q35 A36 W44 | W34-S38 WeakPolarHBondContact O-CB 3.42Å; W34-S38 PolarHBondContact O-N 3.02Å; W34-S38 PolarHBondContact O-OG 3.45Å; Q35-S38 PolarHBondContact O-OG 3.01Å; A36-S38 VanDerWaalsContact C-N 3.32Å; A36-S38 PolarHBondContact O-N 3.21Å; S38-W44 PolarHBondContact O-NE1 3.33Å |
| 39 | R | 94.9 | Very high | 95.7 | Very high | 105 Ų | 105 | 62.3 Ų | 62.3 | 40% | 0.396 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.4 | 8.5 | 178.5 | -61.7 | -61 | -178.5 | -166.2 | -2.2 | 112.8 | Q35 A36 V37 Y68 | Q35-R39 VanDerWaalsContact O-CG 3.32Å; Q35-R39 WeakPolarHBondContact O-CG 3.41Å; Q35-R39 PolarHBondContact O-N 3.04Å; A36-R39 PolarHBondContact O-N 3.18Å; V37-R39 PolarHBondContact O-N 3.07Å; R39-Y68 PolarHBondContact NH1-OH 2.89Å |
| 40 | D | 97 | Very high | 95.6 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | trans | -66.5 | 137.3 | -179 | -179.3 | -95.1 | 0 | 0 | 0 | 112.5 | L13 V37 F42 L43 W44 | L13-D40 HydrophobicContact CD1-CB 4.2Å; V37-D40 VanDerWaalsContact O-CB 3.24Å; V37-D40 WeakPolarHBondContact O-CB 3.05Å; V37-D40 PolarHBondContact O-N 3.31Å; V37-D40 VanDerWaalsContact O-N 3.08Å; D40-F42 WeakPolarHBondContact OD1-CA 3.44Å; D40-F42 VanDerWaalsContact OD1-CB 3.23Å; D40-F42 WeakPolarHBondContact OD1-CB 3.34Å; D40-F42 PolarHBondContact OD1-N 3.21Å; D40-L43 HydrophobicContact CB-CB 4.08Å; D40-L43 WeakPolarHBondContact O-CB 3.15Å; D40-L43 PolarHBondContact O-N 2.87Å; D40-L43 PolarHBondContact OD1-N 3.29Å; D40-W44 VanDerWaalsContact O-CD1 3.24Å; D40-W44 PolarHBondContact O-N 3.17Å | ||
| 41 | E | 96.3 | Very high | 95.7 | Very high | 83 Ų | 83 | 61.1 Ų | 61.1 | 39% | 0.388 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -69.3 | -35 | -176.9 | -73.9 | -59.6 | 125.2 | 0 | 0 | 112.9 | R45 S66 W67 | E41-R45 VanDerWaalsContact O-CB 3.32Å; E41-R45 WeakPolarHBondContact O-CB 3.46Å; E41-R45 PolarHBondContact O-N 2.73Å; E41-S66 VanDerWaalsContact CD-CB 3.49Å; E41-S66 WeakPolarHBondContact OE1-CB 3.42Å; E41-S66 WeakPolarHBondContact OE2-CA 3.06Å; E41-S66 WeakPolarHBondContact OE2-CB 3.07Å; E41-W67 PolarHBondContact OE2-N 3.08Å |
| 42 | F | 96.6 | Very high | 95.8 | Very high | 89 Ų | 89 | 59.9 Ų | 59.9 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -66.9 | -45.7 | 177 | 174.7 | -85.9 | 0 | 0 | 0 | 109.7 | L13 L17 D40 W44 R45 E46 | L13-F42 HydrophobicContact CD2-CD1 4.09Å; L17-F42 HydrophobicContact CD1-CE1 4.07Å; D40-F42 WeakPolarHBondContact OD1-CA 3.44Å; D40-F42 VanDerWaalsContact OD1-CB 3.23Å; D40-F42 WeakPolarHBondContact OD1-CB 3.34Å; D40-F42 PolarHBondContact OD1-N 3.21Å; F42-W44 PolarHBondContact O-N 2.94Å; F42-R45 WeakPolarHBondContact O-CB 3.14Å; F42-R45 PolarHBondContact O-N 3.23Å; F42-E46 HydrophobicContact CD1-CG 4.09Å; F42-E46 HydrophobicContact CE1-CG 3.72Å; F42-E46 HydrophobicContact CE2-CG 4.25Å; F42-E46 HydrophobicContact CG-CG 4.49Å; F42-E46 HydrophobicContact CZ-CG 3.8Å; F42-E46 WeakPolarHBondContact O-CG 3.18Å; F42-E46 PolarHBondContact O-N 3.07Å |
| 43 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -51.1 | -55.4 | 174.7 | -178.7 | 57.1 | 0 | 0 | 0 | 111.8 | L13 F16 L17 V24 V37 D40 R45 E46 L47 | L13-L43 HydrophobicContact CD1-CB 3.62Å; L13-L43 HydrophobicContact CD1-CD1 4.27Å; L13-L43 HydrophobicContact CD1-CD2 4.42Å; L13-L43 HydrophobicContact CD1-CG 4.31Å; F16-L43 HydrophobicContact CB-CD1 3.88Å; F16-L43 HydrophobicContact CB-CD2 3.91Å; F16-L43 HydrophobicContact CD2-CD2 3.95Å; F16-L43 HydrophobicContact CG-CD2 4.46Å; L17-L43 HydrophobicContact CD2-CD1 3.73Å; L17-L43 HydrophobicContact CG-CD1 3.88Å; V24-L43 HydrophobicContact CG1-CD2 3.76Å; V37-L43 WeakPolarHBondContact O-CD2 3.33Å; D40-L43 HydrophobicContact CB-CB 4.08Å; D40-L43 WeakPolarHBondContact O-CB 3.15Å; D40-L43 PolarHBondContact O-N 2.87Å; D40-L43 PolarHBondContact OD1-N 3.29Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.28Å; L43-E46 PolarHBondContact O-N 2.98Å; L43-L47 HydrophobicContact CD1-CD1 3.98Å; L43-L47 HydrophobicContact CD1-CG 4.16Å; L43-L47 HydrophobicContact CG-CD1 3.93Å; L43-L47 HydrophobicContact CG-CG 4.47Å; L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 WeakPolarHBondContact O-CG 3.19Å; L43-L47 PolarHBondContact O-N 2.68Å |
| 44 | W | 97.8 | Very high | 95.8 | Very high | 1 Ų | 1 | 58.2 Ų | 58.2 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -29.6 | -176.2 | -77.4 | 102 | 0 | 0 | 0 | 113.2 | H21 V24 L25 S38 D40 F42 L47 F48 W67 Y68 F71 | H21-W44 HydrophobicContact CB-CH2 4.01Å; H21-W44 HydrophobicContact CB-CZ3 3.91Å; V24-W44 HydrophobicContact CG1-CZ2 4.38Å; L25-W44 HydrophobicContact CD1-CH2 4.21Å; L25-W44 HydrophobicContact CD2-CH2 4.1Å; L25-W44 HydrophobicContact CD2-CZ2 3.69Å; L25-W44 HydrophobicContact CG-CH2 3.98Å; L25-W44 HydrophobicContact CG-CZ2 3.99Å; S38-W44 PolarHBondContact O-NE1 3.33Å; D40-W44 VanDerWaalsContact O-CD1 3.24Å; D40-W44 PolarHBondContact O-N 3.17Å; F42-W44 PolarHBondContact O-N 2.94Å; W44-L47 HydrophobicContact CD2-CD1 4.38Å; W44-L47 HydrophobicContact CE3-CD1 4.17Å; W44-L47 HydrophobicContact CZ3-CD1 4.33Å; W44-F48 WeakPolarHBondContact O-CB 3.34Å; W44-F48 PolarHBondContact O-N 2.9Å; W44-W67 HydrophobicContact CB-CB 3.76Å; W44-Y68 AromaticContact CD2-CD2 3.53Å; W44-Y68 HydrophobicContact CD2-CD2 3.53Å; W44-Y68 HydrophobicContact CD2-CG 4.2Å; W44-Y68 AromaticContact CE2-CD2 3.27Å; W44-Y68 AromaticContact CE3-CD2 3.85Å; W44-Y68 HydrophobicContact CE3-CD2 3.85Å; W44-Y68 HydrophobicContact CG-CD2 4.16Å; W44-Y68 HydrophobicContact CG-CG 4.37Å; W44-Y68 AromaticContact CH2-CD2 3.74Å; W44-Y68 HydrophobicContact CH2-CD2 3.74Å; W44-Y68 AromaticContact CH2-CE2 3.8Å; W44-Y68 HydrophobicContact CH2-CE2 3.8Å; W44-Y68 AromaticContact CZ2-CD2 3.41Å; W44-Y68 HydrophobicContact CZ2-CD2 3.41Å; W44-Y68 VanDerWaalsContact CZ2-CD2 3.41Å; W44-Y68 AromaticContact CZ2-CE2 3.64Å; W44-Y68 HydrophobicContact CZ2-CE2 3.64Å; W44-Y68 AromaticContact CZ3-CD2 3.93Å; W44-Y68 HydrophobicContact CZ3-CD2 3.93Å; W44-Y68 HydrophobicContact CZ3-CE2 4.3Å; W44-Y68 AromaticContact NE1-CD2 3.73Å; W44-F71 HydrophobicContact CE3-CB 4.01Å; W44-F71 HydrophobicContact CE3-CD1 4.43Å; W44-F71 HydrophobicContact CE3-CD2 4.09Å; W44-F71 AromaticContact CE3-CG 3.92Å; W44-F71 HydrophobicContact CE3-CG 3.92Å; W44-F71 HydrophobicContact CZ3-CB 4.28Å; W44-F71 AromaticContact CZ3-CD1 3.88Å; W44-F71 HydrophobicContact CZ3-CD1 3.88Å; W44-F71 HydrophobicContact CZ3-CD2 4.15Å; W44-F71 HydrophobicContact CZ3-CE1 4.28Å; W44-F71 AromaticContact CZ3-CG 3.83Å; W44-F71 HydrophobicContact CZ3-CG 3.83Å |
| 45 | R | 97.3 | Very high | 95.6 | Very high | 86 Ų | 86 | 57.7 Ų | 57.7 | 33% | 0.325 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 171.1 | -177.4 | -178.8 | 76.1 | -171.3 | 3.9 | 111.6 | E41 F42 L43 F48 Y49 W67 | E41-R45 VanDerWaalsContact O-CB 3.32Å; E41-R45 WeakPolarHBondContact O-CB 3.46Å; E41-R45 PolarHBondContact O-N 2.73Å; F42-R45 WeakPolarHBondContact O-CB 3.14Å; F42-R45 PolarHBondContact O-N 3.23Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.28Å; R45-F48 WeakPolarHBondContact O-CB 3.22Å; R45-F48 PolarHBondContact O-N 3.4Å; R45-Y49 HydrophobicContact CG-CD2 3.82Å; R45-Y49 HydrophobicContact CG-CE2 3.49Å; R45-Y49 VanDerWaalsContact CG-CE2 3.49Å; R45-Y49 WeakPolarHBondContact O-CD2 3.38Å; R45-Y49 PolarHBondContact O-N 2.72Å; R45-Y49 VanDerWaalsContact O-N 3.09Å; R45-W67 HydrophobicContact CB-CB 4.35Å; R45-W67 HydrophobicContact CB-CD2 3.71Å; R45-W67 HydrophobicContact CB-CE3 4.45Å; R45-W67 HydrophobicContact CB-CG 3.65Å; R45-W67 HydrophobicContact CB-CZ2 4.44Å; R45-W67 HydrophobicContact CG-CD2 3.8Å; R45-W67 VanDerWaalsContact CG-CE2 3.42Å; R45-W67 HydrophobicContact CG-CE3 4.36Å; R45-W67 HydrophobicContact CG-CG 4.25Å; R45-W67 HydrophobicContact CG-CH2 4.23Å; R45-W67 HydrophobicContact CG-CZ2 3.65Å |
| 46 | E | 96.8 | Very high | 95.5 | Very high | 21 Ų | 21 | 60.7 Ų | 60.7 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.4 | -43.2 | -178.3 | -62 | -57.7 | 129 | 0 | 0 | 111 | L17 F42 L43 F48 Y49 S50 R56 | L17-E46 HydrophobicContact CD2-CB 3.48Å; L17-E46 VanDerWaalsContact CD2-CB 3.48Å; L17-E46 HydrophobicContact CD2-CG 3.97Å; F42-E46 HydrophobicContact CD1-CG 4.09Å; F42-E46 HydrophobicContact CE1-CG 3.72Å; F42-E46 HydrophobicContact CE2-CG 4.25Å; F42-E46 HydrophobicContact CG-CG 4.49Å; F42-E46 HydrophobicContact CZ-CG 3.8Å; F42-E46 WeakPolarHBondContact O-CG 3.18Å; F42-E46 PolarHBondContact O-N 3.07Å; L43-E46 PolarHBondContact O-N 2.98Å; E46-F48 VanDerWaalsContact C-N 3.31Å; E46-F48 PolarHBondContact O-N 2.82Å; E46-Y49 PolarHBondContact O-N 2.82Å; E46-S50 VanDerWaalsContact O-CB 3.29Å; E46-S50 WeakPolarHBondContact O-CB 3.08Å; E46-S50 PolarHBondContact O-N 3.48Å; E46-R56 IonicContact OE1-NH1 3.36Å; E46-R56 PolarHBondContact OE1-NH1 3.02Å; E46-R56 IonicContact OE2-CZ 3.12Å; E46-R56 IonicContact OE2-NH1 3.01Å; E46-R56 PolarHBondContact OE2-NH1 3.31Å; E46-R56 IonicContact OE2-NH2 2.75Å; E46-R56 PolarHBondContact OE2-NH2 2.93Å |
| 47 | L | 96.6 | Very high | 95.3 | Very high | 16 Ų | 16 | 62.8 Ų | 62.8 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.6 | -41.1 | 172.9 | -70.8 | 176.5 | 0 | 0 | 0 | 111.8 | V24 L43 W44 S50 Y51 | V24-L47 HydrophobicContact CG2-CD1 4.23Å; L43-L47 HydrophobicContact CD1-CD1 3.98Å; L43-L47 HydrophobicContact CD1-CG 4.16Å; L43-L47 HydrophobicContact CG-CD1 3.93Å; L43-L47 HydrophobicContact CG-CG 4.47Å; L43-L47 WeakPolarHBondContact O-CB 3.42Å; L43-L47 WeakPolarHBondContact O-CG 3.19Å; L43-L47 PolarHBondContact O-N 2.68Å; W44-L47 HydrophobicContact CD2-CD1 4.38Å; W44-L47 HydrophobicContact CE3-CD1 4.17Å; W44-L47 HydrophobicContact CZ3-CD1 4.33Å; L47-S50 PolarHBondContact O-N 3.44Å; L47-Y51 WeakPolarHBondContact O-CB 3.46Å; L47-Y51 PolarHBondContact O-N 2.99Å |
| 48 | F | 97 | Very high | 95 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -54.3 | 178.6 | -179.2 | -87 | 0 | 0 | 0 | 112 | W44 R45 E46 S50 Y51 Y52 I54 W67 E70 F71 L74 Y534 | W44-F48 WeakPolarHBondContact O-CB 3.34Å; W44-F48 PolarHBondContact O-N 2.9Å; R45-F48 WeakPolarHBondContact O-CB 3.22Å; R45-F48 PolarHBondContact O-N 3.4Å; E46-F48 VanDerWaalsContact C-N 3.31Å; E46-F48 PolarHBondContact O-N 2.82Å; F48-S50 VanDerWaalsContact C-N 3.3Å; F48-S50 PolarHBondContact O-N 2.9Å; F48-Y51 PolarHBondContact O-N 3.48Å; F48-Y52 AromaticContact CD2-CD2 3.74Å; F48-Y52 HydrophobicContact CD2-CD2 3.74Å; F48-Y52 AromaticContact CD2-CE2 3.86Å; F48-Y52 HydrophobicContact CD2-CE2 3.86Å; F48-Y52 AromaticContact CE2-CD2 3.7Å; F48-Y52 HydrophobicContact CE2-CD2 3.7Å; F48-Y52 AromaticContact CE2-CE2 3.82Å; F48-Y52 HydrophobicContact CE2-CE2 3.82Å; F48-Y52 HydrophobicContact CG-CD2 4.18Å; F48-Y52 HydrophobicContact CZ-CD2 4.11Å; F48-Y52 PolarHBondContact O-N 3.37Å; F48-I54 HydrophobicContact CD1-CD1 4.26Å; F48-I54 HydrophobicContact CE1-CD1 3.35Å; F48-I54 HydrophobicContact CZ-CD1 3.68Å; F48-W67 HydrophobicContact CB-CE3 4.04Å; F48-W67 HydrophobicContact CB-CZ3 4.42Å; F48-W67 AromaticContact CD1-CE3 3.92Å; F48-W67 HydrophobicContact CD1-CE3 3.92Å; F48-W67 AromaticContact CD1-CZ3 3.49Å; F48-W67 HydrophobicContact CD1-CZ3 3.49Å; F48-W67 VanDerWaalsContact CD1-CZ3 3.49Å; F48-W67 HydrophobicContact CD2-CE3 4.43Å; F48-W67 AromaticContact CE1-CZ3 3.86Å; F48-W67 HydrophobicContact CE1-CZ3 3.86Å; F48-W67 AromaticContact CG-CE3 3.87Å; F48-W67 HydrophobicContact CG-CE3 3.87Å; F48-W67 AromaticContact CG-CZ3 3.95Å; F48-W67 HydrophobicContact CG-CZ3 3.95Å; F48-E70 HydrophobicContact CE2-CG 3.85Å; F48-E70 HydrophobicContact CZ-CG 4.26Å; F48-F71 HydrophobicContact CB-CD2 4.15Å; F48-F71 HydrophobicContact CD2-CB 4.11Å; F48-F71 HydrophobicContact CD2-CD2 4.17Å; F48-L74 HydrophobicContact CE2-CD1 3.61Å; F48-L74 HydrophobicContact CE2-CG 4.39Å; F48-L74 HydrophobicContact CZ-CD1 3.68Å; F48-Y534 HydrophobicContact CE1-CD1 4.15Å; F48-Y534 AromaticContact CE1-CE1 3.73Å; F48-Y534 HydrophobicContact CE1-CE1 3.73Å; F48-Y534 HydrophobicContact CE1-CE2 4.38Å; F48-Y534 AromaticContact CE1-CZ 3.89Å; F48-Y534 HydrophobicContact CE2-CE2 4.39Å; F48-Y534 HydrophobicContact CZ-CD1 4.2Å; F48-Y534 HydrophobicContact CZ-CD2 4.01Å; F48-Y534 AromaticContact CZ-CE1 3.74Å; F48-Y534 HydrophobicContact CZ-CE1 3.74Å; F48-Y534 AromaticContact CZ-CE2 3.55Å; F48-Y534 HydrophobicContact CZ-CE2 3.55Å; F48-Y534 HydrophobicContact CZ-CG 4.32Å; F48-Y534 AromaticContact CZ-CZ 3.4Å; F48-Y534 VanDerWaalsContact CZ-CZ 3.4Å |
| 49 | Y | 96.2 | Very high | 94.8 | Very high | 19 Ų | 19 | 67.6 Ų | 67.6 | 8% | 0.075 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -39.3 | 179.3 | -71.9 | -56.9 | 0 | 0 | 0 | 112 | R45 E46 R53 I54 P55 R56 V58 W67 | R45-Y49 HydrophobicContact CG-CD2 3.82Å; R45-Y49 HydrophobicContact CG-CE2 3.49Å; R45-Y49 VanDerWaalsContact CG-CE2 3.49Å; R45-Y49 WeakPolarHBondContact O-CD2 3.38Å; R45-Y49 PolarHBondContact O-N 2.72Å; R45-Y49 VanDerWaalsContact O-N 3.09Å; E46-Y49 PolarHBondContact O-N 2.82Å; Y49-R53 WeakPolarHBondContact O-CA 3.41Å; Y49-R53 PolarHBondContact O-N 3.4Å; Y49-I54 HydrophobicContact CD1-CB 3.97Å; Y49-I54 HydrophobicContact CD1-CG2 3.97Å; Y49-I54 VanDerWaalsContact CD1-O 3.28Å; Y49-I54 WeakPolarHBondContact CD1-O 3.33Å; Y49-I54 HydrophobicContact CE1-CG2 4.03Å; Y49-I54 PolarHBondContact O-N 3.46Å; Y49-I54 VanDerWaalsContact O-N 3.17Å; Y49-P55 WeakPolarHBondContact CE1-O 3.3Å; Y49-R56 HydrophobicContact CD2-CG 4.07Å; Y49-R56 HydrophobicContact CE2-CB 4.43Å; Y49-R56 HydrophobicContact CE2-CG 4.42Å; Y49-R56 HydrophobicContact CG-CG 4.19Å; Y49-R56 PolarHBondContact OH-O 3.48Å; Y49-V58 WeakPolarHBondContact CE1-O 3.44Å; Y49-V58 PolarHBondContact OH-O 3.5Å; Y49-W67 HydrophobicContact CE1-CH2 4.26Å; Y49-W67 AromaticContact CE2-CH2 3.91Å; Y49-W67 HydrophobicContact CE2-CH2 3.91Å; Y49-W67 HydrophobicContact CE2-CZ2 4.25Å; Y49-W67 HydrophobicContact CE2-CZ3 4.46Å; Y49-W67 AromaticContact CZ-CH2 3.55Å; Y49-W67 VanDerWaalsContact OH-CH2 3.26Å; Y49-W67 WeakPolarHBondContact OH-CH2 3.33Å |
| 50 | S | 94.7 | Very high | 94.7 | Very high | 93 Ų | 93 | 65.8 Ų | 65.8 | 65% | 0.65 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.8 | -46.2 | 178.6 | -173.6 | 0 | 0 | 0 | 0 | 112.3 | E46 L47 F48 | E46-S50 VanDerWaalsContact O-CB 3.29Å; E46-S50 WeakPolarHBondContact O-CB 3.08Å; E46-S50 PolarHBondContact O-N 3.48Å; L47-S50 PolarHBondContact O-N 3.44Å; F48-S50 VanDerWaalsContact C-N 3.3Å; F48-S50 PolarHBondContact O-N 2.9Å |
| 51 | Y | 95.7 | Very high | 94.3 | Very high | 115 Ų | 115 | 64.3 Ų | 64.3 | 45% | 0.451 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.5 | -50.1 | -175.3 | -176.9 | -92 | 0 | 0 | 0 | 111.6 | H21 L47 F48 R53 F71 Y75 | H21-Y51 AromaticContact CE1-CE2 3.76Å; H21-Y51 AromaticContact ND1-CD2 3.95Å; H21-Y51 AromaticContact ND1-CE2 3.73Å; L47-Y51 WeakPolarHBondContact O-CB 3.46Å; L47-Y51 PolarHBondContact O-N 2.99Å; F48-Y51 PolarHBondContact O-N 3.48Å; Y51-R53 VanDerWaalsContact C-N 3.3Å; Y51-R53 PolarHBondContact O-N 3.03Å; Y51-F71 AromaticContact CD1-CE2 4Å; Y51-F71 HydrophobicContact CD1-CE2 4Å; Y51-F71 AromaticContact CD1-CZ 3.79Å; Y51-F71 HydrophobicContact CD1-CZ 3.79Å; Y51-F71 HydrophobicContact CD2-CE2 4.44Å; Y51-F71 AromaticContact CD2-CZ 4Å; Y51-F71 HydrophobicContact CD2-CZ 4Å; Y51-F71 HydrophobicContact CE1-CZ 4.23Å; Y51-F71 HydrophobicContact CE2-CZ 4.42Å; Y51-F71 AromaticContact CG-CE2 3.78Å; Y51-F71 HydrophobicContact CG-CE2 3.78Å; Y51-F71 AromaticContact CG-CZ 3.67Å; Y51-F71 HydrophobicContact CG-CZ 3.67Å; Y51-Y75 HydrophobicContact CE1-CD2 4.26Å; Y51-Y75 WeakPolarHBondContact OH-CE2 3.39Å |
| 52 | Y | 94.8 | Very high | 93.7 | Very high | 29 Ų | 29 | 65.6 Ų | 65.6 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -85.5 | -3 | -178.5 | -69.2 | -68 | 0 | 0 | 0 | 113.6 | F48 I54 F71 L74 Y75 I536 L538 | F48-Y52 AromaticContact CD2-CD2 3.74Å; F48-Y52 HydrophobicContact CD2-CD2 3.74Å; F48-Y52 AromaticContact CD2-CE2 3.86Å; F48-Y52 HydrophobicContact CD2-CE2 3.86Å; F48-Y52 AromaticContact CE2-CD2 3.7Å; F48-Y52 HydrophobicContact CE2-CD2 3.7Å; F48-Y52 AromaticContact CE2-CE2 3.82Å; F48-Y52 HydrophobicContact CE2-CE2 3.82Å; F48-Y52 HydrophobicContact CG-CD2 4.18Å; F48-Y52 HydrophobicContact CZ-CD2 4.11Å; F48-Y52 PolarHBondContact O-N 3.37Å; Y52-I54 HydrophobicContact CG-CD1 4.3Å; Y52-I54 PolarHBondContact O-N 2.87Å; Y52-F71 HydrophobicContact CE2-CD2 4.02Å; Y52-F71 HydrophobicContact CE2-CE2 4.1Å; Y52-F71 HydrophobicContact CE2-CG 4.35Å; Y52-F71 HydrophobicContact CE2-CZ 4.49Å; Y52-F71 PolarHBondContact OH-O 3.23Å; Y52-L74 HydrophobicContact CD1-CD1 4.44Å; Y52-L74 HydrophobicContact CD2-CD1 4.2Å; Y52-L74 HydrophobicContact CE1-CB 3.99Å; Y52-L74 HydrophobicContact CE1-CD1 4.23Å; Y52-L74 HydrophobicContact CE2-CB 3.98Å; Y52-L74 HydrophobicContact CE2-CD1 4.01Å; Y52-L74 HydrophobicContact CG-CD1 4.43Å; Y52-L74 VanDerWaalsContact CZ-CB 3.45Å; Y52-L74 WeakPolarHBondContact OH-CB 3.22Å; Y52-L74 PolarHBondContact OH-O 2.98Å; Y52-Y75 PolarHBondContact OH-N 3.16Å; Y52-I536 HydrophobicContact CD1-CD1 3.56Å; Y52-I536 HydrophobicContact CE1-CD1 4.47Å; Y52-I536 HydrophobicContact CG-CD1 3.87Å; Y52-L538 HydrophobicContact CD1-CD2 4.23Å; Y52-L538 HydrophobicContact CE1-CD2 4Å |
| 53 | R | 94.3 | Very high | 93 | Very high | 226 Ų | 226 | 64.2 Ų | 64.2 | 85% | 0.853 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | 38 | -177.4 | -55.9 | -178.5 | 179.3 | 178.3 | -0.1 | 112.9 | Y49 Y51 | Y49-R53 WeakPolarHBondContact O-CA 3.41Å; Y49-R53 PolarHBondContact O-N 3.4Å; Y51-R53 VanDerWaalsContact C-N 3.3Å; Y51-R53 PolarHBondContact O-N 3.03Å |
| 54 | I | 92.1 | Very high | 92.4 | Very high | 9 Ų | 9 | 64.9 Ų | 64.9 | 5% | 0.046 | 33% | 0.331 | C | S | . | . | trans | -86.9 | 136.7 | 179.5 | -65.1 | 162.7 | 0 | 0 | 0 | 109.2 | F48 Y49 Y52 R56 V58 Y534 I536 | F48-I54 HydrophobicContact CD1-CD1 4.26Å; F48-I54 HydrophobicContact CE1-CD1 3.35Å; F48-I54 HydrophobicContact CZ-CD1 3.68Å; Y49-I54 HydrophobicContact CD1-CB 3.97Å; Y49-I54 HydrophobicContact CD1-CG2 3.97Å; Y49-I54 VanDerWaalsContact CD1-O 3.28Å; Y49-I54 WeakPolarHBondContact CD1-O 3.33Å; Y49-I54 HydrophobicContact CE1-CG2 4.03Å; Y49-I54 PolarHBondContact O-N 3.46Å; Y49-I54 VanDerWaalsContact O-N 3.17Å; Y52-I54 HydrophobicContact CG-CD1 4.3Å; Y52-I54 PolarHBondContact O-N 2.87Å; I54-R56 PolarHBondContact O-N 3.45Å; I54-V58 HydrophobicContact CG2-CB 3.75Å; I54-V58 HydrophobicContact CG2-CG1 4.23Å; I54-V58 HydrophobicContact CG2-CG2 3.98Å; I54-Y534 HydrophobicContact CD1-CD1 3.71Å; I54-Y534 HydrophobicContact CD1-CD2 4.25Å; I54-Y534 HydrophobicContact CD1-CE1 4.46Å; I54-Y534 HydrophobicContact CD1-CG 3.6Å; I54-Y534 HydrophobicContact CG2-CD1 4.24Å; I54-I536 HydrophobicContact CD1-CD1 3.86Å; I54-I536 HydrophobicContact CG1-CD1 4.19Å; I54-I536 HydrophobicContact CG1-CG2 3.9Å | ||
| 55 | P | 90.8 | Very high | 92 | Very high | 81 Ų | 81 | 69.9 Ų | 69.9 | 53% | 0.526 | 36% | 0.362 | S | S | . | . | trans | -60.3 | 136.5 | 172.6 | -22.6 | 33.3 | 0 | 0 | 0 | 112 | Y49 S57 V58 | Y49-P55 WeakPolarHBondContact CE1-O 3.3Å; P55-S57 PolarHBondContact O-N 3.47Å; P55-V58 HydrophobicContact CB-CG2 4.4Å; P55-V58 WeakPolarHBondContact O-CB 3.27Å; P55-V58 PolarHBondContact O-N 2.92Å | ||
| 56 | R | 92.8 | Very high | 91.9 | Very high | 167 Ų | 167 | 66.4 Ų | 66.4 | 63% | 0.63 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -17.1 | 179.9 | -61.7 | 178.7 | -178.3 | -123.6 | -6.9 | 114.3 | E46 Y49 I54 V58 | E46-R56 IonicContact OE1-NH1 3.36Å; E46-R56 PolarHBondContact OE1-NH1 3.02Å; E46-R56 IonicContact OE2-CZ 3.12Å; E46-R56 IonicContact OE2-NH1 3.01Å; E46-R56 PolarHBondContact OE2-NH1 3.31Å; E46-R56 IonicContact OE2-NH2 2.75Å; E46-R56 PolarHBondContact OE2-NH2 2.93Å; Y49-R56 HydrophobicContact CD2-CG 4.07Å; Y49-R56 HydrophobicContact CE2-CB 4.43Å; Y49-R56 HydrophobicContact CE2-CG 4.42Å; Y49-R56 HydrophobicContact CG-CG 4.19Å; Y49-R56 PolarHBondContact OH-O 3.48Å; I54-R56 PolarHBondContact O-N 3.45Å; R56-V58 VanDerWaalsContact C-N 3.26Å |
| 57 | S | 90.3 | Very high | 91.9 | Very high | 107 Ų | 107 | 66.8 Ų | 66.8 | 75% | 0.748 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -19.8 | 174.4 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | P55 P59 | P55-S57 PolarHBondContact O-N 3.47Å; S57-P59 WeakPolarHBondContact O-CD 3.16Å |
| 58 | V | 90.1 | Very high | 91.8 | Very high | 24 Ų | 24 | 68.4 Ų | 68.4 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -79.3 | 118.6 | 177.6 | -176.1 | 0 | 0 | 0 | 0 | 108.4 | Y49 I54 P55 R56 Y534 | Y49-V58 WeakPolarHBondContact CE1-O 3.44Å; Y49-V58 PolarHBondContact OH-O 3.5Å; I54-V58 HydrophobicContact CG2-CB 3.75Å; I54-V58 HydrophobicContact CG2-CG1 4.23Å; I54-V58 HydrophobicContact CG2-CG2 3.98Å; P55-V58 HydrophobicContact CB-CG2 4.4Å; P55-V58 WeakPolarHBondContact O-CB 3.27Å; P55-V58 PolarHBondContact O-N 2.92Å; R56-V58 VanDerWaalsContact C-N 3.26Å; V58-Y534 HydrophobicContact CG1-CD1 3.8Å; V58-Y534 HydrophobicContact CG1-CE1 4.36Å |
| 59 | P | 92.1 | Very high | 91.6 | Very high | 87 Ų | 87 | 75.7 Ų | 75.7 | 57% | 0.565 | 38% | 0.384 | S | S | * | . | P | Polyproline II helix | trans | -69.9 | 157.5 | 179.4 | 30.6 | -35.3 | 0 | 0 | 0 | 110.8 | S57 H533 | S57-P59 WeakPolarHBondContact O-CD 3.16Å; P59-H533 PolarHBondContact O-NE2 2.87Å |
| 60 | R | 92 | Very high | 91.6 | Very high | 67 Ų | 67 | 74.9 Ų | 74.9 | 25% | 0.253 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 148.9 | 168.8 | -161.1 | 171.1 | 57.1 | 93.8 | 14.9 | 110.7 | A64 S66 W67 E70 | R60-A64 HydrophobicContact CG-CB 4.13Å; R60-A64 PolarHBondContact NH1-O 3.11Å; R60-A64 PolarHBondContact NH2-O 3.25Å; R60-S66 PolarHBondContact NH1-O 3.47Å; R60-W67 HydrophobicContact CB-CD2 4.43Å; R60-W67 HydrophobicContact CB-CE3 4.34Å; R60-W67 HydrophobicContact CB-CH2 3.48Å; R60-W67 VanDerWaalsContact CB-CH2 3.48Å; R60-W67 HydrophobicContact CB-CZ2 3.58Å; R60-W67 HydrophobicContact CB-CZ3 3.88Å; R60-W67 HydrophobicContact CG-CD2 4.04Å; R60-W67 HydrophobicContact CG-CE3 3.88Å; R60-W67 HydrophobicContact CG-CH2 3.95Å; R60-W67 HydrophobicContact CG-CZ2 4.12Å; R60-W67 HydrophobicContact CG-CZ3 3.81Å; R60-E70 HydrophobicContact CG-CB 4.38Å; R60-E70 HydrophobicContact CG-CG 4.21Å |
| 61 | H | 88.1 | Confident | 91.6 | Very high | 30 Ų | 30 | 70.7 Ų | 70.7 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -51.4 | 131.3 | 175.3 | -168.5 | -83.6 | 0 | 0 | 0 | 111.1 | S63 A64 E70 H533 Y534 | H61-S63 VanDerWaalsContact C-N 3.28Å; H61-S63 PolarHBondContact CE1-OG 3.38Å; H61-S63 PolarHBondContact ND1-N 3.39Å; H61-S63 PolarHBondContact ND1-OG 3.43Å; H61-S63 PolarHBondContact O-N 2.75Å; H61-A64 HydrophobicContact CB-CB 4.18Å; H61-A64 WeakPolarHBondContact O-CB 3.29Å; H61-A64 PolarHBondContact O-N 3.06Å; H61-E70 WeakPolarHBondContact CB-OE1 3.4Å; H61-H533 VanDerWaalsContact CD2-CB 3.45Å; H61-H533 WeakPolarHBondContact CD2-CB 3.29Å; H61-H533 AromaticContact CD2-CG 3.54Å; H61-H533 AromaticContact CD2-ND1 3.95Å; H61-Y534 WeakPolarHBondContact CB-OH 3.38Å; H61-Y534 PolarHBondContact N-OH 3.29Å |
| 62 | P | 83.6 | Confident | 91.5 | Very high | 111 Ų | 111 | 69.4 Ų | 69.4 | 72% | 0.721 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -36 | -173.8 | -27.1 | 34.7 | 0 | 0 | 0 | 114.2 | A64 | P62-A64 VanDerWaalsContact C-N 3.32Š|
| 63 | S | 81.8 | Confident | 91.4 | Very high | 60 Ų | 60 | 69.5 Ų | 69.5 | 42% | 0.42 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -9.2 | 179 | 73 | 0 | 0 | 0 | 0 | 114.1 | H61 | H61-S63 VanDerWaalsContact C-N 3.28Å; H61-S63 PolarHBondContact CE1-OG 3.38Å; H61-S63 PolarHBondContact ND1-N 3.39Å; H61-S63 PolarHBondContact ND1-OG 3.43Å; H61-S63 PolarHBondContact O-N 2.75Å |
| 64 | A | 85.4 | Confident | 91.5 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 11% | 0.107 | 31% | 0.307 | C | S | . | . | trans | -69.4 | 147.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R60 H61 P62 E70 | R60-A64 HydrophobicContact CG-CB 4.13Å; R60-A64 PolarHBondContact NH1-O 3.11Å; R60-A64 PolarHBondContact NH2-O 3.25Å; H61-A64 HydrophobicContact CB-CB 4.18Å; H61-A64 WeakPolarHBondContact O-CB 3.29Å; H61-A64 PolarHBondContact O-N 3.06Å; P62-A64 VanDerWaalsContact C-N 3.32Å; A64-E70 HydrophobicContact CB-CB 3.96Å; A64-E70 HydrophobicContact CB-CG 4.22Å; A64-E70 WeakPolarHBondContact CB-OE2 3.23Å | ||
| 65 | V | 90.6 | Very high | 91.6 | Very high | 106 Ų | 106 | 62.7 Ų | 62.7 | 64% | 0.642 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -95.6 | -32.8 | 176.8 | -178.6 | 0 | 0 | 0 | 0 | 113 | ||
| 66 | S | 94.7 | Very high | 91.7 | Very high | 14 Ų | 14 | 59.7 Ų | 59.7 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | trans | -144.7 | 165.4 | 174.3 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | E41 R60 Y68 R69 E70 | E41-S66 VanDerWaalsContact CD-CB 3.49Å; E41-S66 WeakPolarHBondContact OE1-CB 3.42Å; E41-S66 WeakPolarHBondContact OE2-CA 3.06Å; E41-S66 WeakPolarHBondContact OE2-CB 3.07Å; R60-S66 PolarHBondContact NH1-O 3.47Å; S66-Y68 VanDerWaalsContact C-N 3.34Å; S66-R69 WeakPolarHBondContact OG-CB 3.14Å; S66-R69 WeakPolarHBondContact OG-CG 3.36Å; S66-R69 PolarHBondContact OG-N 2.97Å; S66-E70 WeakPolarHBondContact O-CB 3.41Å; S66-E70 PolarHBondContact O-N 3.46Å; S66-E70 VanDerWaalsContact O-N 3.1Å | ||
| 67 | W | 96.4 | Very high | 91.8 | Very high | 29 Ų | 29 | 52.2 Ų | 52.2 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.6 | -37.4 | 170.7 | -74.4 | 103.2 | 0 | 0 | 0 | 112.4 | E41 W44 R45 F48 Y49 R60 E70 F71 | E41-W67 PolarHBondContact OE2-N 3.08Å; W44-W67 HydrophobicContact CB-CB 3.76Å; R45-W67 HydrophobicContact CB-CB 4.35Å; R45-W67 HydrophobicContact CB-CD2 3.71Å; R45-W67 HydrophobicContact CB-CE3 4.45Å; R45-W67 HydrophobicContact CB-CG 3.65Å; R45-W67 HydrophobicContact CB-CZ2 4.44Å; R45-W67 HydrophobicContact CG-CD2 3.8Å; R45-W67 VanDerWaalsContact CG-CE2 3.42Å; R45-W67 HydrophobicContact CG-CE3 4.36Å; R45-W67 HydrophobicContact CG-CG 4.25Å; R45-W67 HydrophobicContact CG-CH2 4.23Å; R45-W67 HydrophobicContact CG-CZ2 3.65Å; F48-W67 HydrophobicContact CB-CE3 4.04Å; F48-W67 HydrophobicContact CB-CZ3 4.42Å; F48-W67 AromaticContact CD1-CE3 3.92Å; F48-W67 HydrophobicContact CD1-CE3 3.92Å; F48-W67 AromaticContact CD1-CZ3 3.49Å; F48-W67 HydrophobicContact CD1-CZ3 3.49Å; F48-W67 VanDerWaalsContact CD1-CZ3 3.49Å; F48-W67 HydrophobicContact CD2-CE3 4.43Å; F48-W67 AromaticContact CE1-CZ3 3.86Å; F48-W67 HydrophobicContact CE1-CZ3 3.86Å; F48-W67 AromaticContact CG-CE3 3.87Å; F48-W67 HydrophobicContact CG-CE3 3.87Å; F48-W67 AromaticContact CG-CZ3 3.95Å; F48-W67 HydrophobicContact CG-CZ3 3.95Å; Y49-W67 HydrophobicContact CE1-CH2 4.26Å; Y49-W67 AromaticContact CE2-CH2 3.91Å; Y49-W67 HydrophobicContact CE2-CH2 3.91Å; Y49-W67 HydrophobicContact CE2-CZ2 4.25Å; Y49-W67 HydrophobicContact CE2-CZ3 4.46Å; Y49-W67 AromaticContact CZ-CH2 3.55Å; Y49-W67 VanDerWaalsContact OH-CH2 3.26Å; Y49-W67 WeakPolarHBondContact OH-CH2 3.33Å; R60-W67 HydrophobicContact CB-CD2 4.43Å; R60-W67 HydrophobicContact CB-CE3 4.34Å; R60-W67 HydrophobicContact CB-CH2 3.48Å; R60-W67 VanDerWaalsContact CB-CH2 3.48Å; R60-W67 HydrophobicContact CB-CZ2 3.58Å; R60-W67 HydrophobicContact CB-CZ3 3.88Å; R60-W67 HydrophobicContact CG-CD2 4.04Å; R60-W67 HydrophobicContact CG-CE3 3.88Å; R60-W67 HydrophobicContact CG-CH2 3.95Å; R60-W67 HydrophobicContact CG-CZ2 4.12Å; R60-W67 HydrophobicContact CG-CZ3 3.81Å; W67-E70 PolarHBondContact O-N 2.9Å; W67-F71 WeakPolarHBondContact O-CB 3.32Å; W67-F71 PolarHBondContact O-N 2.87Å |
| 68 | Y | 94.8 | Very high | 92.1 | Very high | 50 Ų | 50 | 47.6 Ų | 47.6 | 20% | 0.196 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.4 | -47.2 | 175.7 | 171.7 | -113.8 | 0 | 0 | 0 | 112.3 | L25 R39 W44 S66 E70 F71 K72 | L25-Y68 HydrophobicContact CD2-CE2 3.96Å; R39-Y68 PolarHBondContact NH1-OH 2.89Å; W44-Y68 AromaticContact CD2-CD2 3.53Å; W44-Y68 HydrophobicContact CD2-CD2 3.53Å; W44-Y68 HydrophobicContact CD2-CG 4.2Å; W44-Y68 AromaticContact CE2-CD2 3.27Å; W44-Y68 AromaticContact CE3-CD2 3.85Å; W44-Y68 HydrophobicContact CE3-CD2 3.85Å; W44-Y68 HydrophobicContact CG-CD2 4.16Å; W44-Y68 HydrophobicContact CG-CG 4.37Å; W44-Y68 AromaticContact CH2-CD2 3.74Å; W44-Y68 HydrophobicContact CH2-CD2 3.74Å; W44-Y68 AromaticContact CH2-CE2 3.8Å; W44-Y68 HydrophobicContact CH2-CE2 3.8Å; W44-Y68 AromaticContact CZ2-CD2 3.41Å; W44-Y68 HydrophobicContact CZ2-CD2 3.41Å; W44-Y68 VanDerWaalsContact CZ2-CD2 3.41Å; W44-Y68 AromaticContact CZ2-CE2 3.64Å; W44-Y68 HydrophobicContact CZ2-CE2 3.64Å; W44-Y68 AromaticContact CZ3-CD2 3.93Å; W44-Y68 HydrophobicContact CZ3-CD2 3.93Å; W44-Y68 HydrophobicContact CZ3-CE2 4.3Å; W44-Y68 AromaticContact NE1-CD2 3.73Å; S66-Y68 VanDerWaalsContact C-N 3.34Å; Y68-E70 PolarHBondContact O-N 3.33Å; Y68-F71 PolarHBondContact O-N 2.81Å; Y68-K72 WeakPolarHBondContact O-CB 3.21Å; Y68-K72 PolarHBondContact O-N 3.12Å |
| 69 | R | 93.1 | Very high | 92.5 | Very high | 152 Ų | 152 | 46.5 Ų | 46.5 | 57% | 0.574 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65 | -34.2 | 178.9 | -76.9 | -179.6 | 179.2 | -175 | 2.7 | 111.5 | S66 K72 R73 | S66-R69 WeakPolarHBondContact OG-CB 3.14Å; S66-R69 WeakPolarHBondContact OG-CG 3.36Å; S66-R69 PolarHBondContact OG-N 2.97Å; R69-K72 PolarHBondContact O-N 3.48Å; R69-R73 PolarHBondContact O-N 3.02Å |
| 70 | E | 94.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 44.6 Ų | 44.6 | 1% | 0.014 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -71.6 | -43.2 | 178.4 | -175.2 | 58.5 | -179.4 | 0 | 0 | 112.9 | F48 R60 H61 A64 S66 W67 Y68 K72 R73 L74 Y534 | F48-E70 HydrophobicContact CE2-CG 3.85Å; F48-E70 HydrophobicContact CZ-CG 4.26Å; R60-E70 HydrophobicContact CG-CB 4.38Å; R60-E70 HydrophobicContact CG-CG 4.21Å; H61-E70 WeakPolarHBondContact CB-OE1 3.4Å; A64-E70 HydrophobicContact CB-CB 3.96Å; A64-E70 HydrophobicContact CB-CG 4.22Å; A64-E70 WeakPolarHBondContact CB-OE2 3.23Å; S66-E70 WeakPolarHBondContact O-CB 3.41Å; S66-E70 PolarHBondContact O-N 3.46Å; S66-E70 VanDerWaalsContact O-N 3.1Å; W67-E70 PolarHBondContact O-N 2.9Å; Y68-E70 PolarHBondContact O-N 3.33Å; E70-K72 VanDerWaalsContact C-N 3.25Å; E70-K72 PolarHBondContact O-N 3.21Å; E70-R73 PolarHBondContact O-N 2.93Å; E70-R73 IonicContact OE1-CZ 3.87Å; E70-R73 IonicContact OE1-NE 2.76Å; E70-R73 PolarHBondContact OE1-NE 2.99Å; E70-R73 IonicContact OE1-NH2 3.74Å; E70-R73 PolarHBondContact OE1-NH2 2.89Å; E70-R73 IonicContact OE2-CZ 2.75Å; E70-R73 IonicContact OE2-NE 3.52Å; E70-R73 PolarHBondContact OE2-NE 2.83Å; E70-R73 IonicContact OE2-NH2 3.71Å; E70-L74 PolarHBondContact O-N 3.36Å; E70-L74 VanDerWaalsContact O-N 3.11Å; E70-Y534 VanDerWaalsContact CD-OH 3.25Å; E70-Y534 HydrophobicContact CG-CE2 4.38Å; E70-Y534 WeakPolarHBondContact CG-OH 3.46Å; E70-Y534 WeakPolarHBondContact OE1-CE2 3.48Å; E70-Y534 VanDerWaalsContact OE1-CZ 3.27Å; E70-Y534 PolarHBondContact OE1-OH 2.86Å |
| 71 | F | 96.2 | Very high | 93.1 | Very high | 5 Ų | 5 | 43.8 Ų | 43.8 | 2% | 0.022 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -54.2 | -48.2 | 168.5 | -168.8 | -72 | 0 | 0 | 0 | 110.2 | H21 W44 F48 Y51 Y52 W67 Y68 R73 L74 Y75 | H21-F71 HydrophobicContact CB-CE1 4Å; H21-F71 HydrophobicContact CB-CE2 4.47Å; H21-F71 HydrophobicContact CB-CZ 3.78Å; H21-F71 AromaticContact CD2-CE1 3.89Å; H21-F71 AromaticContact CG-CE1 3.73Å; H21-F71 AromaticContact CG-CZ 3.65Å; H21-F71 AromaticContact ND1-CZ 3.76Å; W44-F71 HydrophobicContact CE3-CB 4.01Å; W44-F71 HydrophobicContact CE3-CD1 4.43Å; W44-F71 HydrophobicContact CE3-CD2 4.09Å; W44-F71 AromaticContact CE3-CG 3.92Å; W44-F71 HydrophobicContact CE3-CG 3.92Å; W44-F71 HydrophobicContact CZ3-CB 4.28Å; W44-F71 AromaticContact CZ3-CD1 3.88Å; W44-F71 HydrophobicContact CZ3-CD1 3.88Å; W44-F71 HydrophobicContact CZ3-CD2 4.15Å; W44-F71 HydrophobicContact CZ3-CE1 4.28Å; W44-F71 AromaticContact CZ3-CG 3.83Å; W44-F71 HydrophobicContact CZ3-CG 3.83Å; F48-F71 HydrophobicContact CB-CD2 4.15Å; F48-F71 HydrophobicContact CD2-CB 4.11Å; F48-F71 HydrophobicContact CD2-CD2 4.17Å; Y51-F71 AromaticContact CD1-CE2 4Å; Y51-F71 HydrophobicContact CD1-CE2 4Å; Y51-F71 AromaticContact CD1-CZ 3.79Å; Y51-F71 HydrophobicContact CD1-CZ 3.79Å; Y51-F71 HydrophobicContact CD2-CE2 4.44Å; Y51-F71 AromaticContact CD2-CZ 4Å; Y51-F71 HydrophobicContact CD2-CZ 4Å; Y51-F71 HydrophobicContact CE1-CZ 4.23Å; Y51-F71 HydrophobicContact CE2-CZ 4.42Å; Y51-F71 AromaticContact CG-CE2 3.78Å; Y51-F71 HydrophobicContact CG-CE2 3.78Å; Y51-F71 AromaticContact CG-CZ 3.67Å; Y51-F71 HydrophobicContact CG-CZ 3.67Å; Y52-F71 HydrophobicContact CE2-CD2 4.02Å; Y52-F71 HydrophobicContact CE2-CE2 4.1Å; Y52-F71 HydrophobicContact CE2-CG 4.35Å; Y52-F71 HydrophobicContact CE2-CZ 4.49Å; Y52-F71 PolarHBondContact OH-O 3.23Å; W67-F71 WeakPolarHBondContact O-CB 3.32Å; W67-F71 PolarHBondContact O-N 2.87Å; Y68-F71 PolarHBondContact O-N 2.81Å; F71-R73 PolarHBondContact O-N 2.82Å; F71-L74 PolarHBondContact O-N 3.41Å; F71-Y75 HydrophobicContact CE1-CD2 4.01Å; F71-Y75 HydrophobicContact CE1-CG 4.23Å; F71-Y75 VanDerWaalsContact O-CB 3.26Å; F71-Y75 WeakPolarHBondContact O-CB 3.32Å; F71-Y75 PolarHBondContact O-N 3.3Å |
| 72 | K | 93.1 | Very high | 93.5 | Very high | 88 Ų | 88 | 46.4 Ų | 46.4 | 38% | 0.383 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 179.2 | -169.5 | -178.8 | 178.4 | -172.5 | 0 | 112.2 | Y68 R69 E70 L74 Y75 D76 | Y68-K72 WeakPolarHBondContact O-CB 3.21Å; Y68-K72 PolarHBondContact O-N 3.12Å; R69-K72 PolarHBondContact O-N 3.48Å; E70-K72 VanDerWaalsContact C-N 3.25Å; E70-K72 PolarHBondContact O-N 3.21Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 3.17Å; K72-Y75 PolarHBondContact O-N 2.85Å; K72-Y75 VanDerWaalsContact O-N 3.14Å; K72-D76 WeakPolarHBondContact CE-OD2 3.48Å; K72-D76 HydrophobicContact CG-CB 4.18Å; K72-D76 WeakPolarHBondContact CG-OD2 3.43Å; K72-D76 VanDerWaalsContact O-CB 3.29Å; K72-D76 WeakPolarHBondContact O-CB 3.4Å; K72-D76 PolarHBondContact O-N 2.83Å |
| 73 | R | 93.3 | Very high | 94.1 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 11% | 0.113 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.4 | -50.7 | 176.8 | -175.9 | -171.2 | 67.5 | 80.1 | -3 | 110.5 | R69 E70 F71 Y75 C77 D516 D531 | R69-R73 PolarHBondContact O-N 3.02Å; E70-R73 PolarHBondContact O-N 2.93Å; E70-R73 IonicContact OE1-CZ 3.87Å; E70-R73 IonicContact OE1-NE 2.76Å; E70-R73 PolarHBondContact OE1-NE 2.99Å; E70-R73 IonicContact OE1-NH2 3.74Å; E70-R73 PolarHBondContact OE1-NH2 2.89Å; E70-R73 IonicContact OE2-CZ 2.75Å; E70-R73 IonicContact OE2-NE 3.52Å; E70-R73 PolarHBondContact OE2-NE 2.83Å; E70-R73 IonicContact OE2-NH2 3.71Å; F71-R73 PolarHBondContact O-N 2.82Å; R73-Y75 VanDerWaalsContact C-N 3.29Å; R73-Y75 PolarHBondContact O-N 2.83Å; R73-C77 VanDerWaalsContact O-CB 3.26Å; R73-C77 WeakPolarHBondContact O-CB 3.27Å; R73-C77 PolarHBondContact O-N 2.76Å; R73-D516 IonicContact NH1-OD2 2.89Å; R73-D531 IonicContact CZ-OD2 3.64Å; R73-D531 IonicContact NH1-OD2 3.52Å; R73-D531 PolarHBondContact NH1-OD2 2.72Å; R73-D531 VanDerWaalsContact NH1-OD2 3.17Å; R73-D531 IonicContact NH2-OD2 3.96Å; R73-D531 PolarHBondContact NH2-OD2 3.07Å |
| 74 | L | 94.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -72.2 | -17 | 178.7 | -69.4 | -168 | 0 | 0 | 0 | 114.5 | F48 Y52 E70 F71 K72 I78 F517 D531 Y534 I536 L538 | F48-L74 HydrophobicContact CE2-CD1 3.61Å; F48-L74 HydrophobicContact CE2-CG 4.39Å; F48-L74 HydrophobicContact CZ-CD1 3.68Å; Y52-L74 HydrophobicContact CD1-CD1 4.44Å; Y52-L74 HydrophobicContact CD2-CD1 4.2Å; Y52-L74 HydrophobicContact CE1-CB 3.99Å; Y52-L74 HydrophobicContact CE1-CD1 4.23Å; Y52-L74 HydrophobicContact CE2-CB 3.98Å; Y52-L74 HydrophobicContact CE2-CD1 4.01Å; Y52-L74 HydrophobicContact CG-CD1 4.43Å; Y52-L74 VanDerWaalsContact CZ-CB 3.45Å; Y52-L74 WeakPolarHBondContact OH-CB 3.22Å; Y52-L74 PolarHBondContact OH-O 2.98Å; E70-L74 PolarHBondContact O-N 3.36Å; E70-L74 VanDerWaalsContact O-N 3.11Å; F71-L74 PolarHBondContact O-N 3.41Å; K72-L74 VanDerWaalsContact C-N 3.34Å; K72-L74 PolarHBondContact O-N 3.17Å; L74-I78 WeakPolarHBondContact O-CD1 3.47Å; L74-I78 VanDerWaalsContact O-CG1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; L74-F517 HydrophobicContact CD2-CE1 4.27Å; L74-D531 HydrophobicContact CD2-CB 4.04Å; L74-D531 WeakPolarHBondContact CD2-OD2 3.13Å; L74-Y534 HydrophobicContact CD1-CD2 3.73Å; L74-Y534 HydrophobicContact CD1-CE2 3.8Å; L74-Y534 HydrophobicContact CG-CE2 4.47Å; L74-I536 HydrophobicContact CD1-CD1 4.43Å; L74-L538 HydrophobicContact CD2-CD1 3.96Å; L74-L538 HydrophobicContact CD2-CD2 4.42Å |
| 75 | Y | 94.4 | Very high | 95.5 | Very high | 92 Ų | 92 | 44.6 Ų | 44.6 | 36% | 0.361 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -96 | -41.2 | -179 | -171.9 | -87.8 | 0 | 0 | 0 | 111.8 | H21 Y51 Y52 F71 K72 R73 | H21-Y75 AromaticContact CE1-CE2 3.58Å; H21-Y75 AromaticContact NE2-CE2 3.41Å; H21-Y75 WeakPolarHBondContact NE2-CE2 3.38Å; H21-Y75 AromaticContact NE2-CZ 3.47Å; Y51-Y75 HydrophobicContact CE1-CD2 4.26Å; Y51-Y75 WeakPolarHBondContact OH-CE2 3.39Å; Y52-Y75 PolarHBondContact OH-N 3.16Å; F71-Y75 HydrophobicContact CE1-CD2 4.01Å; F71-Y75 HydrophobicContact CE1-CG 4.23Å; F71-Y75 VanDerWaalsContact O-CB 3.26Å; F71-Y75 WeakPolarHBondContact O-CB 3.32Å; F71-Y75 PolarHBondContact O-N 3.3Å; K72-Y75 PolarHBondContact O-N 2.85Å; K72-Y75 VanDerWaalsContact O-N 3.14Å; R73-Y75 VanDerWaalsContact C-N 3.29Å; R73-Y75 PolarHBondContact O-N 2.83Å |
| 76 | D | 93.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 40 Ų | 40 | 10% | 0.096 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -102 | -23.3 | -167.7 | -85.3 | -20 | 0 | 0 | 0 | 114.2 | K72 S574 P575 R576 R579 | K72-D76 WeakPolarHBondContact CE-OD2 3.48Å; K72-D76 HydrophobicContact CG-CB 4.18Å; K72-D76 WeakPolarHBondContact CG-OD2 3.43Å; K72-D76 VanDerWaalsContact O-CB 3.29Å; K72-D76 WeakPolarHBondContact O-CB 3.4Å; K72-D76 PolarHBondContact O-N 2.83Å; D76-S574 VanDerWaalsContact O-CB 3.24Å; D76-S574 WeakPolarHBondContact O-CB 3.32Å; D76-S574 PolarHBondContact O-OG 3.2Å; D76-P575 WeakPolarHBondContact O-CD 3.38Å; D76-R576 HydrophobicContact CB-CB 4.16Å; D76-R576 WeakPolarHBondContact O-CB 3.49Å; D76-R576 PolarHBondContact O-N 3.5Å; D76-R579 IonicContact OD1-CZ 3.52Å; D76-R579 IonicContact OD1-NH1 2.63Å; D76-R579 PolarHBondContact OD1-NH1 3.16Å; D76-R579 IonicContact OD1-NH2 2.93Å; D76-R579 PolarHBondContact OD1-NH2 3.43Å; D76-R579 IonicContact OD2-NH2 2.98Å; D76-R579 PolarHBondContact OD2-NH2 3.39Å; D76-R579 VanDerWaalsContact OD2-NH2 3.07Å |
| 77 | C | 95.4 | Very high | 96.1 | Very high | 10 Ų | 10 | 47.2 Ų | 47.2 | 7% | 0.068 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -102.7 | 4.3 | -172.3 | -64.9 | 0 | 0 | 0 | 0 | 114 | R73 E558 | R73-C77 VanDerWaalsContact O-CB 3.26Å; R73-C77 WeakPolarHBondContact O-CB 3.27Å; R73-C77 PolarHBondContact O-N 2.76Å; C77-E558 WeakPolarHBondContact CA-OE2 3.41Å; C77-E558 HydrophobicContact CB-CG 4.15Å; C77-E558 PolarHBondContact SG-OE1 2.66Å |
| 78 | I | 96.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 51.1 Ų | 51.1 | 6% | 0.056 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -76.6 | 127.2 | 175.8 | -53 | 159.3 | 0 | 0 | 0 | 109.4 | L74 C80 F517 I529 L538 A539 S574 P575 | L74-I78 WeakPolarHBondContact O-CD1 3.47Å; L74-I78 VanDerWaalsContact O-CG1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.47Å; I78-C80 VanDerWaalsContact C-N 3.34Å; I78-C80 HydrophobicContact CG2-CB 4.14Å; I78-C80 PolarHBondContact O-N 2.78Å; I78-C80 PolarHBondContact O-SG 2.91Å; I78-F517 HydrophobicContact CG1-CE1 4.35Å; I78-F517 HydrophobicContact CG1-CZ 4.35Å; I78-I529 HydrophobicContact CG2-CB 4.45Å; I78-I529 HydrophobicContact CG2-CD1 3.85Å; I78-I529 HydrophobicContact CG2-CG2 4.22Å; I78-L538 HydrophobicContact CD1-CB 3.67Å; I78-L538 HydrophobicContact CD1-CD1 3.87Å; I78-L538 HydrophobicContact CD1-CD2 4.37Å; I78-L538 HydrophobicContact CD1-CG 4.2Å; I78-L538 HydrophobicContact CG1-CB 4.25Å; I78-L538 HydrophobicContact CG1-CD1 3.75Å; I78-L538 HydrophobicContact CG2-CB 4.45Å; I78-A539 HydrophobicContact CG2-CB 3.96Å; I78-S574 WeakPolarHBondContact O-CA 3.49Å; I78-S574 WeakPolarHBondContact O-CB 3.47Å; I78-P575 VanDerWaalsContact O-CD 3.22Å; I78-P575 WeakPolarHBondContact O-CD 3.24Å |
| 79 | P | 97.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | -74.3 | 85.3 | 174.9 | 29.3 | -31.6 | 0 | 0 | 0 | 111.3 | I529 F552 L560 W572 | P79-I529 HydrophobicContact CG-CD1 3.91Å; P79-I529 WeakPolarHBondContact O-CD1 3.17Å; P79-F552 HydrophobicContact CG-CD1 4.43Å; P79-F552 HydrophobicContact CG-CE1 3.81Å; P79-L560 HydrophobicContact CB-CB 3.84Å; P79-L560 HydrophobicContact CG-CB 3.71Å; P79-W572 HydrophobicContact CB-CB 4.24Å; P79-W572 WeakPolarHBondContact O-CB 3.07Å | ||
| 80 | C | 97.9 | Very high | 96.6 | Very high | 47 Ų | 47 | 46.9 Ų | 46.9 | 32% | 0.318 | 24% | 0.235 | S | C | . | . | trans | -128.5 | 2.2 | -175.2 | 64.1 | 0 | 0 | 0 | 0 | 114.5 | I78 A539 L541 R573 | I78-C80 VanDerWaalsContact C-N 3.34Å; I78-C80 HydrophobicContact CG2-CB 4.14Å; I78-C80 PolarHBondContact O-N 2.78Å; I78-C80 PolarHBondContact O-SG 2.91Å; C80-A539 HydrophobicContact CB-CB 3.76Å; C80-L541 HydrophobicContact CB-CD2 4.17Å; C80-R573 PolarHBondContact N-O 2.73Å | ||
| 81 | V | 98.1 | Very high | 96.8 | Very high | 50 Ų | 50 | 50 Ų | 50 | 30% | 0.303 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 115.9 | 175.6 | -174 | 0 | 0 | 0 | 0 | 108.6 | V83 W572 R573 P575 V578 | V81-V83 PolarHBondContact O-N 2.96Å; V81-W572 WeakPolarHBondContact O-CA 3.49Å; V81-R573 WeakPolarHBondContact CB-O 3.33Å; V81-R573 PolarHBondContact N-O 3.03Å; V81-R573 PolarHBondContact O-N 3.44Å; V81-P575 HydrophobicContact CG2-CG 3.96Å; V81-V578 HydrophobicContact CB-CG2 4Å; V81-V578 HydrophobicContact CG1-CG2 3.93Å |
| 82 | E | 97.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 51.8 Ų | 51.8 | 40% | 0.397 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 120.9 | 172.7 | -168 | -173.2 | 132.1 | 0 | 0 | 109 | T85 K570 V571 W572 | E82-T85 PolarHBondContact OE1-OG1 2.73Å; E82-K570 HydrophobicContact CG-CD 4.41Å; E82-K570 WeakPolarHBondContact OE2-CD 3.24Å; E82-K570 VanDerWaalsContact OE2-CE 3.29Å; E82-K570 WeakPolarHBondContact OE2-CE 3.41Å; E82-K570 IonicContact OE2-NZ 3.2Å; E82-K570 PolarHBondContact OE2-NZ 3.2Å; E82-V571 WeakPolarHBondContact CA-O 3.39Å; E82-W572 HydrophobicContact CB-CE3 3.9Å; E82-W572 HydrophobicContact CB-CH2 4.15Å; E82-W572 HydrophobicContact CB-CZ3 3.64Å; E82-W572 HydrophobicContact CG-CH2 4.5Å; E82-W572 HydrophobicContact CG-CZ3 4.41Å |
| 83 | V | 96.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 47.6 Ų | 47.6 | 42% | 0.418 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | -21.7 | 178 | -65.2 | 0 | 0 | 0 | 0 | 112.9 | V81 V571 R573 V578 | V81-V83 PolarHBondContact O-N 2.96Å; V83-V571 HydrophobicContact CG2-CB 4.08Å; V83-V571 HydrophobicContact CG2-CG1 3.76Å; V83-V571 WeakPolarHBondContact CG2-O 3.16Å; V83-V571 PolarHBondContact N-O 3Å; V83-R573 HydrophobicContact CB-CG 4.38Å; V83-R573 HydrophobicContact CG1-CB 3.76Å; V83-R573 HydrophobicContact CG1-CG 3.88Å; V83-R573 HydrophobicContact CG2-CB 4.3Å; V83-R573 HydrophobicContact CG2-CG 3.6Å; V83-V578 HydrophobicContact CG1-CG2 3.72Å |
| 84 | Q | 97.6 | Very high | 97.3 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 20% | 0.201 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 145.4 | -179.6 | -169.8 | 178 | 6.2 | 0 | 0 | 110.2 | L86 I126 V571 | Q84-L86 HydrophobicContact CG-CD2 3.89Å; Q84-L86 VanDerWaalsContact NE2-CD2 3.27Å; Q84-I126 PolarHBondContact NE2-O 2.89Å; Q84-V571 HydrophobicContact CB-CB 3.94Å; Q84-V571 HydrophobicContact CB-CG2 3.88Å; Q84-V571 HydrophobicContact CG-CG2 4.46Å; Q84-V571 PolarHBondContact O-N 2.98Å |
| 85 | T | 98.5 | Very high | 97.5 | Very high | 34 Ų | 34 | 47.9 Ų | 47.9 | 21% | 0.209 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.8 | 168.4 | -74.4 | 0 | 0 | 0 | 0 | 108.6 | E82 R87 T568 | E82-T85 PolarHBondContact OE1-OG1 2.73Å; T85-R87 HydrophobicContact CG2-CG 3.93Å; T85-T568 HydrophobicContact CG2-CG2 3.97Å |
| 86 | L | 98.7 | Very high | 97.7 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 129.7 | 178.8 | -46.3 | 172.6 | 0 | 0 | 0 | 109.1 | Q84 F105 W117 I126 T568 I569 V571 | Q84-L86 HydrophobicContact CG-CD2 3.89Å; Q84-L86 VanDerWaalsContact NE2-CD2 3.27Å; L86-F105 HydrophobicContact CD1-CZ 3.81Å; L86-W117 HydrophobicContact CB-CH2 3.83Å; L86-W117 HydrophobicContact CB-CZ3 3.94Å; L86-W117 HydrophobicContact CD1-CD2 4.25Å; L86-W117 HydrophobicContact CD1-CE3 3.84Å; L86-W117 HydrophobicContact CD1-CH2 4.14Å; L86-W117 HydrophobicContact CD1-CZ3 3.79Å; L86-W117 HydrophobicContact CD2-CZ3 4.14Å; L86-W117 HydrophobicContact CG-CH2 4.48Å; L86-W117 HydrophobicContact CG-CZ3 4.17Å; L86-I126 HydrophobicContact CD1-CG2 3.7Å; L86-I126 HydrophobicContact CD2-CB 4.41Å; L86-I126 HydrophobicContact CD2-CG2 4.19Å; L86-T568 WeakPolarHBondContact O-CA 3.45Å; L86-I569 HydrophobicContact CB-CB 4.15Å; L86-I569 HydrophobicContact CD1-CB 4.12Å; L86-I569 HydrophobicContact CD1-CG2 4.1Å; L86-I569 HydrophobicContact CG-CB 4.45Å; L86-I569 PolarHBondContact N-O 2.97Å; L86-I569 PolarHBondContact O-N 3.47Å; L86-V571 HydrophobicContact CD1-CG2 4.25Å; L86-V571 HydrophobicContact CG-CG2 4.25Å |
| 87 | R | 98.3 | Very high | 98 | Very high | 166 Ų | 166 | 43.5 Ų | 43.5 | 63% | 0.626 | 23% | 0.229 | S | C | * | . | trans | -125.7 | 22.3 | -170.6 | -58.4 | -176.7 | 177.2 | -85.5 | -1.7 | 113.4 | T85 H89 T568 | T85-R87 HydrophobicContact CG2-CG 3.93Å; R87-H89 VanDerWaalsContact C-N 3.3Å; R87-H89 PolarHBondContact O-N 3.38Å; R87-T568 HydrophobicContact CG-CG2 4.15Å | ||
| 88 | E | 98.4 | Very high | 98.1 | Very high | 110 Ų | 110 | 44.1 Ų | 44.1 | 51% | 0.514 | 23% | 0.231 | S | C | . | . | trans | -76.5 | -16.4 | -175.6 | -56.9 | -59.9 | 138.2 | 0 | 0 | 113.6 | K115 W117 L128 | E88-K115 HydrophobicContact CB-CD 3.98Å; E88-K115 WeakPolarHBondContact O-CE 3.35Å; E88-K115 PolarHBondContact O-NZ 3.12Å; E88-W117 HydrophobicContact CB-CH2 3.59Å; E88-W117 HydrophobicContact CB-CZ2 4.29Å; E88-W117 HydrophobicContact CB-CZ3 4.4Å; E88-W117 HydrophobicContact CG-CH2 3.44Å; E88-W117 VanDerWaalsContact CG-CH2 3.44Å; E88-W117 HydrophobicContact CG-CZ3 3.77Å; E88-L128 HydrophobicContact CB-CD2 4.47Å; E88-L128 HydrophobicContact CG-CD2 4.3Å | ||
| 89 | H | 98.6 | Very high | 98.1 | Very high | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.032 | 23% | 0.23 | C | C | . | . | trans | -85.7 | 141.4 | 173.4 | -80.5 | -62.5 | 0 | 0 | 0 | 110.4 | R87 V93 S107 S109 D111 T113 K115 | R87-H89 VanDerWaalsContact C-N 3.3Å; R87-H89 PolarHBondContact O-N 3.38Å; H89-V93 HydrophobicContact CB-CG2 3.76Å; H89-S107 WeakPolarHBondContact NE2-CB 3.49Å; H89-S107 PolarHBondContact NE2-OG 2.7Å; H89-S109 VanDerWaalsContact CE1-CB 3.43Å; H89-S109 WeakPolarHBondContact CE1-CB 3.44Å; H89-S109 WeakPolarHBondContact ND1-CB 3.32Å; H89-D111 WeakPolarHBondContact CA-OD2 3.31Å; H89-D111 IonicContact CE1-OD1 3.98Å; H89-D111 IonicContact CE1-OD2 3.55Å; H89-D111 IonicContact CG-OD2 2.77Å; H89-D111 IonicContact ND1-OD1 3.04Å; H89-D111 PolarHBondContact ND1-OD1 2.67Å; H89-D111 IonicContact ND1-OD2 2.77Å; H89-D111 PolarHBondContact ND1-OD2 3.39Å; H89-T113 PolarHBondContact CE1-OG1 3.28Å; H89-T113 VanDerWaalsContact CE1-OG1 3.23Å; H89-T113 PolarHBondContact ND1-OG1 3.08Å; H89-K115 WeakPolarHBondContact ND1-CE 3.49Å | ||
| 90 | S | 98.2 | Very high | 97.9 | Very high | 106 Ų | 106 | 48.2 Ų | 48.2 | 74% | 0.741 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -102.1 | 0.6 | -178.3 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | D111 | S90-D111 PolarHBondContact N-OD2 3.33Å; S90-D111 VanDerWaalsContact N-OD2 3.15Å; S90-D111 WeakPolarHBondContact OG-CB 3Å |
| 91 | D | 98.4 | Very high | 97.6 | Very high | 69 Ų | 69 | 52.8 Ų | 52.8 | 37% | 0.369 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -149.1 | 176.9 | 178.1 | -156.5 | -15.5 | 0 | 0 | 0 | 109.2 | V93 S109 K110 D111 S567 | D91-V93 PolarHBondContact O-N 2.79Å; D91-S109 PolarHBondContact O-OG 2.82Å; D91-S109 VanDerWaalsContact O-OG 3.06Å; D91-K110 HydrophobicContact CB-CB 3.99Å; D91-K110 WeakPolarHBondContact OD2-CB 3.45Å; D91-D111 HydrophobicContact CB-CB 3.85Å; D91-S567 WeakPolarHBondContact O-CA 3.3Å; D91-S567 WeakPolarHBondContact O-CB 3.49Å |
| 92 | Q | 98.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 50.5 Ų | 50.5 | 20% | 0.196 | 25% | 0.247 | C | C | . | . | trans | -45.3 | 129.2 | -177.2 | -58.3 | -174 | -19.8 | 0 | 0 | 113 | L94 S109 K110 D565 | Q92-L94 HydrophobicContact CB-CD2 4.17Å; Q92-S109 CarbonylContact O-C 3.56Å; Q92-S109 WeakPolarHBondContact O-CA 3.49Å; Q92-S109 WeakPolarHBondContact O-CB 3.44Å; Q92-S109 PolarHBondContact O-OG 2.81Å; Q92-K110 HydrophobicContact CB-CB 4.29Å; Q92-K110 HydrophobicContact CB-CD 4.13Å; Q92-K110 HydrophobicContact CB-CG 4.18Å; Q92-K110 HydrophobicContact CG-CD 4.31Å; Q92-K110 PolarHBondContact O-N 2.89Å; Q92-K110 VanDerWaalsContact OE1-CD 3.24Å; Q92-D565 HydrophobicContact CB-CB 4.48Å; Q92-D565 WeakPolarHBondContact CB-OD1 3.43Å; Q92-D565 VanDerWaalsContact CD-OD2 3.28Å; Q92-D565 HydrophobicContact CG-CB 3.95Å; Q92-D565 WeakPolarHBondContact CG-OD1 3.28Å; Q92-D565 VanDerWaalsContact NE2-CG 3.26Å; Q92-D565 PolarHBondContact NE2-OD2 2.84Å; Q92-D565 PolarHBondContact OE1-OD1 3.4Å | ||
| 93 | V | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 117.7 | 175.7 | -168 | 0 | 0 | 0 | 0 | 108.6 | H89 D91 C108 N548 A563 S564 I569 | H89-V93 HydrophobicContact CB-CG2 3.76Å; D91-V93 PolarHBondContact O-N 2.79Å; V93-C108 WeakPolarHBondContact CG1-O 3.46Å; V93-N548 PolarHBondContact O-ND2 3.29Å; V93-A563 HydrophobicContact CB-CB 3.79Å; V93-A563 HydrophobicContact CG1-CB 3.51Å; V93-S564 PolarHBondContact N-O 2.7Å; V93-I569 HydrophobicContact CB-CG1 4.48Å; V93-I569 HydrophobicContact CG1-CD1 4.18Å; V93-I569 HydrophobicContact CG1-CG1 3.94Å; V93-I569 HydrophobicContact CG2-CG1 4.27Å |
| 94 | L | 97.9 | Very high | 97 | Very high | 23 Ų | 23 | 50.4 Ų | 50.4 | 12% | 0.12 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | -33.8 | -167.8 | -59 | -174.6 | 0 | 0 | 0 | 113.5 | Q92 C108 K110 Y141 Q143 F510 | Q92-L94 HydrophobicContact CB-CD2 4.17Å; L94-C108 PolarHBondContact N-O 3.36Å; L94-K110 HydrophobicContact CD1-CG 3.86Å; L94-K110 HydrophobicContact CD2-CG 4.2Å; L94-K110 HydrophobicContact CG-CG 4.18Å; L94-Y141 HydrophobicContact CD1-CD2 3.62Å; L94-Y141 HydrophobicContact CD1-CE2 3.8Å; L94-Q143 HydrophobicContact CD1-CG 4.41Å; L94-F510 WeakPolarHBondContact O-CD2 3.41Å |
| 95 | H | 98.4 | Very high | 97 | Very high | 14 Ų | 14 | 48.3 Ų | 48.3 | 7% | 0.065 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 146.1 | -174.1 | -169.6 | -102.4 | 0 | 0 | 0 | 112.8 | S107 C108 Q143 F144 S145 F510 | H95-S107 VanDerWaalsContact O-CA 3.32Å; H95-S107 WeakPolarHBondContact O-CA 3.47Å; H95-C108 HydrophobicContact CB-CB 4.23Å; H95-C108 PolarHBondContact N-O 3.15Å; H95-C108 PolarHBondContact O-N 2.75Å; H95-Q143 VanDerWaalsContact CB-O 3.25Å; H95-Q143 WeakPolarHBondContact CB-O 3.43Å; H95-F144 AromaticContact CD2-CD2 3.49Å; H95-F144 VanDerWaalsContact CD2-CD2 3.49Å; H95-F144 WeakPolarHBondContact CD2-CD2 3.3Å; H95-F144 AromaticContact CE1-CD2 3.38Å; H95-F144 WeakPolarHBondContact CE1-CD2 3.28Å; H95-F144 AromaticContact CE1-CE2 3.4Å; H95-F144 VanDerWaalsContact CE1-CE2 3.4Å; H95-F144 WeakPolarHBondContact CE1-CE2 3.45Å; H95-F144 AromaticContact CG-CD2 3.83Å; H95-F144 AromaticContact ND1-CD2 3.77Å; H95-F144 AromaticContact NE2-CD2 3.2Å; H95-F144 WeakPolarHBondContact NE2-CD2 3.21Å; H95-F144 AromaticContact NE2-CE2 3.22Å; H95-F144 WeakPolarHBondContact NE2-CE2 3.3Å; H95-S145 PolarHBondContact CE1-O 3.01Å; H95-S145 PolarHBondContact ND1-N 2.79Å; H95-S145 PolarHBondContact ND1-O 2.83Å; H95-F510 HydrophobicContact CB-CE2 4.47Å; H95-F510 AromaticContact CD2-CD1 3.51Å; H95-F510 AromaticContact CD2-CD2 3.64Å; H95-F510 AromaticContact CD2-CE1 3.76Å; H95-F510 AromaticContact CD2-CE2 3.87Å; H95-F510 AromaticContact CD2-CG 3.45Å; H95-F510 VanDerWaalsContact CD2-CG 3.45Å; H95-F510 WeakPolarHBondContact CD2-CG 3.37Å; H95-F510 AromaticContact CD2-CZ 3.92Å; H95-F510 AromaticContact NE2-CD1 3.77Å |
| 96 | L | 98.7 | Very high | 97 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 139.9 | 171.8 | -62.7 | 170.5 | 0 | 0 | 0 | 109.8 | F105 S106 S549 A551 L561 A563 I569 | L96-F105 HydrophobicContact CD2-CD2 4.17Å; L96-F105 HydrophobicContact CD2-CE2 4.11Å; L96-S106 WeakPolarHBondContact CA-O 3.48Å; L96-S549 PolarHBondContact N-OG 2.77Å; L96-S549 VanDerWaalsContact N-OG 3.09Å; L96-A551 HydrophobicContact CB-CB 3.96Å; L96-L561 HydrophobicContact CD1-CB 3.71Å; L96-A563 HydrophobicContact CD1-CB 3.56Å; L96-A563 HydrophobicContact CD2-CB 4.11Å; L96-A563 HydrophobicContact CG-CB 3.58Å; L96-I569 HydrophobicContact CD1-CG2 4.18Å; L96-I569 HydrophobicContact CD2-CD1 3.79Å; L96-I569 HydrophobicContact CD2-CG1 4.08Å; L96-I569 HydrophobicContact CD2-CG2 4.16Å |
| 97 | A | 98.4 | Very high | 97 | Very high | 12 Ų | 12 | 46.2 Ų | 46.2 | 10% | 0.099 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 127.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | F105 S106 S145 F147 | A97-F105 CarbonylContact O-C 3.52Å; A97-F105 WeakPolarHBondContact O-CA 3.18Å; A97-F105 VanDerWaalsContact O-CB 3.26Å; A97-F105 WeakPolarHBondContact O-CB 3.35Å; A97-S106 PolarHBondContact N-O 3.23Å; A97-S106 PolarHBondContact O-N 2.92Å; A97-S106 PolarHBondContact O-OG 3.44Å; A97-S145 VanDerWaalsContact CB-O 3.31Å; A97-S145 WeakPolarHBondContact CB-O 3.36Å; A97-F147 HydrophobicContact CB-CD2 4.42Å; A97-F147 VanDerWaalsContact O-CE2 3.27Å; A97-F147 WeakPolarHBondContact O-CE2 3.5Å |
| 98 | F | 98.2 | Very high | 97 | Very high | 23 Ų | 23 | 38.3 Ų | 38.3 | 10% | 0.101 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 150.4 | 168.7 | -88.3 | -85.8 | 0 | 0 | 0 | 111.3 | F105 T119 F147 A551 F552 P554 L559 L561 | F98-F105 HydrophobicContact CD1-CB 3.85Å; F98-F105 HydrophobicContact CD2-CB 4.4Å; F98-F105 HydrophobicContact CE1-CB 4.12Å; F98-F105 HydrophobicContact CE1-CD1 4.26Å; F98-F105 HydrophobicContact CG-CB 4.01Å; F98-F105 HydrophobicContact CZ-CB 4.49Å; F98-F105 HydrophobicContact CZ-CD1 4.45Å; F98-T119 HydrophobicContact CE1-CG2 4.08Å; F98-F147 WeakPolarHBondContact O-CD2 3.39Å; F98-A551 HydrophobicContact CD2-CB 3.81Å; F98-A551 HydrophobicContact CE2-CB 4.07Å; F98-A551 WeakPolarHBondContact CE2-O 3.2Å; F98-F552 WeakPolarHBondContact CD2-O 3.36Å; F98-P554 VanDerWaalsContact CB-CD 3.48Å; F98-P554 HydrophobicContact CB-CG 4.18Å; F98-L559 HydrophobicContact CZ-CD2 4.33Å; F98-L559 HydrophobicContact CZ-CG 4.46Å; F98-L561 HydrophobicContact CD2-CD1 4.41Å; F98-L561 HydrophobicContact CE1-CD1 4.35Å; F98-L561 HydrophobicContact CE2-CB 4.43Å; F98-L561 HydrophobicContact CE2-CD1 3.45Å; F98-L561 VanDerWaalsContact CE2-CD1 3.45Å; F98-L561 HydrophobicContact CE2-CG 3.69Å; F98-L561 HydrophobicContact CZ-CD1 3.41Å; F98-L561 VanDerWaalsContact CZ-CD1 3.41Å; F98-L561 HydrophobicContact CZ-CG 3.71Å |
| 99 | S | 96.9 | Very high | 97 | Very high | 6 Ų | 6 | 33.1 Ų | 33.1 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | trans | -67.4 | 150 | 160 | 104.1 | 0 | 0 | 0 | 0 | 109.1 | R101 G102 R104 D151 P554 | S99-R101 PolarHBondContact O-N 2.93Å; S99-G102 WeakPolarHBondContact O-CA 3.16Å; S99-G102 PolarHBondContact O-N 2.93Å; S99-G102 PolarHBondContact OG-N 2.92Å; S99-R104 WeakPolarHBondContact CB-O 3.46Å; S99-R104 PolarHBondContact N-O 2.73Å; S99-D151 WeakPolarHBondContact CA-OD1 3.27Å; S99-D151 WeakPolarHBondContact CB-OD1 3.06Å; S99-D151 VanDerWaalsContact CB-OD2 3.25Å; S99-D151 WeakPolarHBondContact CB-OD2 3.27Å; S99-D151 PolarHBondContact OG-OD2 2.83Å; S99-P554 WeakPolarHBondContact O-CG 3.39Å | ||
| 100 | H | 93.1 | Very high | 97 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 43% | 0.426 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -29.9 | -178 | -63 | -73 | 0 | 0 | 0 | 112.9 | G102 F147 N148 D151 | H100-G102 VanDerWaalsContact C-N 3.3Å; H100-F147 PolarHBondContact NE2-O 2.92Å; H100-F147 VanDerWaalsContact NE2-O 3.16Å; H100-N148 PolarHBondContact CD2-O 2.8Å; H100-N148 PolarHBondContact NE2-O 2.72Å; H100-D151 IonicContact CD2-OD1 3.67Å; H100-D151 PolarHBondContact CD2-OD1 2.84Å; H100-D151 VanDerWaalsContact CD2-OD1 3.24Å; H100-D151 IonicContact CG-OD1 2.54Å; H100-D151 VanDerWaalsContact N-CG 3.28Å; H100-D151 PolarHBondContact N-OD1 3.43Å; H100-D151 PolarHBondContact N-OD2 2.78Å |
| 101 | R | 90.8 | Very high | 97 | Very high | 143 Ų | 143 | 32 Ų | 32 | 54% | 0.54 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -18.6 | 171.3 | -63.9 | -175.6 | -174.3 | -169.4 | 5.7 | 113.4 | S99 H103 D151 A555 | S99-R101 PolarHBondContact O-N 2.93Å; R101-H103 VanDerWaalsContact C-N 3.27Å; R101-H103 VanDerWaalsContact CB-CD2 3.48Å; R101-H103 WeakPolarHBondContact CB-CD2 3.34Å; R101-H103 PolarHBondContact O-N 3.45Å; R101-D151 WeakPolarHBondContact CB-OD2 3.5Å; R101-D151 WeakPolarHBondContact CG-OD2 3.15Å; R101-D151 PolarHBondContact N-OD2 2.76Å; R101-A555 WeakPolarHBondContact O-CB 3.47Å |
| 102 | G | 92.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 79.6 | 1.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | S99 H100 T119 | S99-G102 WeakPolarHBondContact O-CA 3.16Å; S99-G102 PolarHBondContact O-N 2.93Å; S99-G102 PolarHBondContact OG-N 2.92Å; H100-G102 VanDerWaalsContact C-N 3.3Å; G102-T119 PolarHBondContact O-OG1 3.1Å |
| 103 | H | 91.8 | Very high | 96.9 | Very high | 65 Ų | 65 | 27.7 Ų | 27.7 | 30% | 0.301 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -77.1 | -25 | -178.4 | -52.2 | -41.9 | 0 | 0 | 0 | 112.7 | R101 T119 E120 | R101-H103 VanDerWaalsContact C-N 3.27Å; R101-H103 VanDerWaalsContact CB-CD2 3.48Å; R101-H103 WeakPolarHBondContact CB-CD2 3.34Å; R101-H103 PolarHBondContact O-N 3.45Å; H103-T119 WeakPolarHBondContact CA-OG1 3.4Å; H103-T119 PolarHBondContact O-N 2.8Å; H103-T119 PolarHBondContact O-OG1 2.89Å; H103-E120 HydrophobicContact CB-CG 4.11Å; H103-E120 VanDerWaalsContact CE1-CD 3.5Å; H103-E120 IonicContact CE1-OE1 3.13Å; H103-E120 PolarHBondContact CE1-OE1 3.4Å; H103-E120 IonicContact CE1-OE2 3.9Å; H103-E120 IonicContact CG-OE1 2.7Å; H103-E120 IonicContact CG-OE2 2.68Å; H103-E120 IonicContact ND1-OE1 3.54Å; H103-E120 PolarHBondContact ND1-OE1 2.87Å; H103-E120 IonicContact ND1-OE2 3.01Å; H103-E120 PolarHBondContact ND1-OE2 3.39Å; H103-E120 VanDerWaalsContact ND1-OE2 3.13Å |
| 104 | R | 95.6 | Very high | 96.9 | Very high | 86 Ų | 86 | 27.7 Ų | 27.7 | 33% | 0.325 | 12% | 0.124 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 159.4 | 177.7 | -63 | -177.7 | -175.1 | 179.9 | 1.7 | 110.9 | S99 W117 Y179 | S99-R104 WeakPolarHBondContact CB-O 3.46Å; S99-R104 PolarHBondContact N-O 2.73Å; R104-W117 WeakPolarHBondContact CA-O 3.32Å; R104-W117 WeakPolarHBondContact CB-O 3.45Å; R104-Y179 PolarHBondContact NH1-OH 2.91Å |
| 105 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 163.9 | 161.7 | 71.7 | -86.1 | 0 | 0 | 0 | 110.5 | L86 L96 A97 F98 L116 W117 T119 I126 L561 I569 | L86-F105 HydrophobicContact CD1-CZ 3.81Å; L96-F105 HydrophobicContact CD2-CD2 4.17Å; L96-F105 HydrophobicContact CD2-CE2 4.11Å; A97-F105 CarbonylContact O-C 3.52Å; A97-F105 WeakPolarHBondContact O-CA 3.18Å; A97-F105 VanDerWaalsContact O-CB 3.26Å; A97-F105 WeakPolarHBondContact O-CB 3.35Å; F98-F105 HydrophobicContact CD1-CB 3.85Å; F98-F105 HydrophobicContact CD2-CB 4.4Å; F98-F105 HydrophobicContact CE1-CB 4.12Å; F98-F105 HydrophobicContact CE1-CD1 4.26Å; F98-F105 HydrophobicContact CG-CB 4.01Å; F98-F105 HydrophobicContact CZ-CB 4.49Å; F98-F105 HydrophobicContact CZ-CD1 4.45Å; F105-L116 WeakPolarHBondContact O-CA 3.45Å; F105-W117 HydrophobicContact CD1-CB 3.69Å; F105-W117 HydrophobicContact CD1-CG 4.35Å; F105-W117 HydrophobicContact CD2-CB 4.24Å; F105-W117 AromaticContact CD2-CD1 3.57Å; F105-W117 HydrophobicContact CD2-CG 4.07Å; F105-W117 HydrophobicContact CE1-CB 3.26Å; F105-W117 AromaticContact CE1-CG 3.77Å; F105-W117 HydrophobicContact CE1-CG 3.77Å; F105-W117 HydrophobicContact CE2-CB 3.86Å; F105-W117 AromaticContact CE2-CD1 3.15Å; F105-W117 HydrophobicContact CE2-CD2 4.08Å; F105-W117 AromaticContact CE2-CG 3.44Å; F105-W117 HydrophobicContact CE2-CG 3.44Å; F105-W117 VanDerWaalsContact CE2-CG 3.44Å; F105-W117 AromaticContact CE2-NE1 3.63Å; F105-W117 HydrophobicContact CG-CB 4.15Å; F105-W117 HydrophobicContact CG-CG 4.48Å; F105-W117 HydrophobicContact CZ-CB 3.35Å; F105-W117 AromaticContact CZ-CD1 3.53Å; F105-W117 AromaticContact CZ-CD2 3.79Å; F105-W117 HydrophobicContact CZ-CD2 3.79Å; F105-W117 HydrophobicContact CZ-CE3 4.46Å; F105-W117 AromaticContact CZ-CG 3.26Å; F105-W117 HydrophobicContact CZ-CG 3.26Å; F105-W117 PolarHBondContact N-O 2.72Å; F105-W117 VanDerWaalsContact N-O 3.13Å; F105-W117 PolarHBondContact O-N 3.44Å; F105-T119 HydrophobicContact CD1-CG2 3.62Å; F105-T119 HydrophobicContact CE1-CG2 3.95Å; F105-I126 HydrophobicContact CE1-CD1 4.03Å; F105-I126 HydrophobicContact CE1-CG2 3.45Å; F105-I126 VanDerWaalsContact CE1-CG2 3.45Å; F105-I126 HydrophobicContact CZ-CG2 3.78Å; F105-L561 HydrophobicContact CB-CD1 4.25Å; F105-L561 HydrophobicContact CD1-CD1 3.5Å; F105-L561 VanDerWaalsContact CD1-CD1 3.5Å; F105-L561 HydrophobicContact CD2-CD1 3.55Å; F105-L561 HydrophobicContact CE1-CD1 3.56Å; F105-L561 HydrophobicContact CE2-CD1 3.63Å; F105-L561 HydrophobicContact CG-CD1 3.49Å; F105-L561 VanDerWaalsContact CG-CD1 3.49Å; F105-L561 HydrophobicContact CZ-CD1 3.64Å; F105-I569 HydrophobicContact CE2-CD1 4.3Å |
| 106 | S | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 151.6 | 175 | 66.1 | 0 | 0 | 0 | 0 | 110.7 | L96 A97 K115 S145 | L96-S106 WeakPolarHBondContact CA-O 3.48Å; A97-S106 PolarHBondContact N-O 3.23Å; A97-S106 PolarHBondContact O-N 2.92Å; A97-S106 PolarHBondContact O-OG 3.44Å; S106-K115 CarbonylContact C-O 3.56Å; S106-K115 WeakPolarHBondContact CA-O 3.26Å; S106-S145 WeakPolarHBondContact OG-CB 3.43Å; S106-S145 PolarHBondContact OG-OG 3.44Å |
| 107 | S | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 142.5 | 171.5 | 59.6 | 0 | 0 | 0 | 0 | 111.7 | H89 H95 V114 K115 W117 | H89-S107 WeakPolarHBondContact NE2-CB 3.49Å; H89-S107 PolarHBondContact NE2-OG 2.7Å; H95-S107 VanDerWaalsContact O-CA 3.32Å; H95-S107 WeakPolarHBondContact O-CA 3.47Å; S107-V114 WeakPolarHBondContact O-CA 3.42Å; S107-K115 PolarHBondContact N-O 3.3Å; S107-K115 PolarHBondContact O-N 2.81Å; S107-W117 PolarHBondContact OG-NE1 3.48Å |
| 108 | C | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 143.3 | 174.8 | -64.7 | 0 | 0 | 0 | 0 | 110.6 | V93 L94 H95 T142 | V93-C108 WeakPolarHBondContact CG1-O 3.46Å; L94-C108 PolarHBondContact N-O 3.36Å; H95-C108 HydrophobicContact CB-CB 4.23Å; H95-C108 PolarHBondContact N-O 3.15Å; H95-C108 PolarHBondContact O-N 2.75Å; C108-T142 WeakPolarHBondContact CA-OG1 3.42Å; C108-T142 WeakPolarHBondContact CB-OG1 3.23Å |
| 109 | S | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 157.6 | -173.2 | 171.3 | 0 | 0 | 0 | 0 | 113.1 | H89 D91 Q92 D111 C112 T113 T142 | H89-S109 VanDerWaalsContact CE1-CB 3.43Å; H89-S109 WeakPolarHBondContact CE1-CB 3.44Å; H89-S109 WeakPolarHBondContact ND1-CB 3.32Å; D91-S109 PolarHBondContact O-OG 2.82Å; D91-S109 VanDerWaalsContact O-OG 3.06Å; Q92-S109 CarbonylContact O-C 3.56Å; Q92-S109 WeakPolarHBondContact O-CA 3.49Å; Q92-S109 WeakPolarHBondContact O-CB 3.44Å; Q92-S109 PolarHBondContact O-OG 2.81Å; S109-D111 VanDerWaalsContact CB-OD1 3.3Å; S109-D111 WeakPolarHBondContact CB-OD1 3.25Å; S109-D111 PolarHBondContact O-N 3.44Å; S109-D111 PolarHBondContact OG-N 2.95Å; S109-D111 VanDerWaalsContact OG-N 3.09Å; S109-D111 PolarHBondContact OG-OD1 3.07Å; S109-D111 PolarHBondContact OG-OD2 2.69Å; S109-C112 PolarHBondContact O-N 3.5Å; S109-T113 PolarHBondContact N-O 3.42Å; S109-T142 PolarHBondContact N-OG1 3.16Å; S109-T142 PolarHBondContact O-N 2.76Å; S109-T142 PolarHBondContact O-OG1 2.92Å |
| 110 | K | 97.5 | Very high | 96 | Very high | 73 Ų | 73 | 33.1 Ų | 33.1 | 32% | 0.317 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -15.4 | 168.3 | -74.6 | -165.1 | 179.7 | 166.1 | 0 | 114.4 | D91 Q92 L94 C112 Y141 | D91-K110 HydrophobicContact CB-CB 3.99Å; D91-K110 WeakPolarHBondContact OD2-CB 3.45Å; Q92-K110 HydrophobicContact CB-CB 4.29Å; Q92-K110 HydrophobicContact CB-CD 4.13Å; Q92-K110 HydrophobicContact CB-CG 4.18Å; Q92-K110 HydrophobicContact CG-CD 4.31Å; Q92-K110 PolarHBondContact O-N 2.89Å; Q92-K110 VanDerWaalsContact OE1-CD 3.24Å; L94-K110 HydrophobicContact CD1-CG 3.86Å; L94-K110 HydrophobicContact CD2-CG 4.2Å; L94-K110 HydrophobicContact CG-CG 4.18Å; K110-C112 PolarHBondContact O-N 2.78Å; K110-Y141 HydrophobicContact CG-CD2 4.25Å; K110-Y141 HydrophobicContact CG-CG 4.35Å |
| 111 | D | 97.7 | Very high | 95.4 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | 4.2 | 173.9 | 69.8 | 13.6 | 0 | 0 | 0 | 113.9 | H89 S90 D91 S109 T113 | H89-D111 WeakPolarHBondContact CA-OD2 3.31Å; H89-D111 IonicContact CE1-OD1 3.98Å; H89-D111 IonicContact CE1-OD2 3.55Å; H89-D111 IonicContact CG-OD2 2.77Å; H89-D111 IonicContact ND1-OD1 3.04Å; H89-D111 PolarHBondContact ND1-OD1 2.67Å; H89-D111 IonicContact ND1-OD2 2.77Å; H89-D111 PolarHBondContact ND1-OD2 3.39Å; S90-D111 PolarHBondContact N-OD2 3.33Å; S90-D111 VanDerWaalsContact N-OD2 3.15Å; S90-D111 WeakPolarHBondContact OG-CB 3Å; D91-D111 HydrophobicContact CB-CB 3.85Å; S109-D111 VanDerWaalsContact CB-OD1 3.3Å; S109-D111 WeakPolarHBondContact CB-OD1 3.25Å; S109-D111 PolarHBondContact O-N 3.44Å; S109-D111 PolarHBondContact OG-N 2.95Å; S109-D111 VanDerWaalsContact OG-N 3.09Å; S109-D111 PolarHBondContact OG-OD1 3.07Å; S109-D111 PolarHBondContact OG-OD2 2.69Å; D111-T113 VanDerWaalsContact CG-OG1 3.26Å; D111-T113 PolarHBondContact O-N 2.84Å; D111-T113 WeakPolarHBondContact OD1-CA 3.25Å; D111-T113 VanDerWaalsContact OD1-CB 3.27Å; D111-T113 WeakPolarHBondContact OD1-CB 3.05Å; D111-T113 PolarHBondContact OD1-N 3.18Å; D111-T113 PolarHBondContact OD1-OG1 2.95Å; D111-T113 PolarHBondContact OD2-OG1 3.45Å |
| 112 | C | 97.3 | Very high | 94.7 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.014 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 69.5 | 10.8 | -176.2 | -46.1 | 0 | 0 | 0 | 0 | 115 | S109 K110 M134 R135 G140 | S109-C112 PolarHBondContact O-N 3.5Å; K110-C112 PolarHBondContact O-N 2.78Å; C112-M134 PolarHBondContact O-N 3.05Å; C112-R135 HydrophobicContact CB-CB 4.38Å; C112-R135 PolarHBondContact SG-NH2 2.86Å; C112-G140 VanDerWaalsContact SG-C 3.6Å; C112-G140 PolarHBondContact SG-O 2.84Å |
| 113 | T | 98.1 | Very high | 94 | Very high | 18 Ų | 18 | 41.9 Ų | 41.9 | 11% | 0.11 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 149.7 | -179.8 | 72.2 | 0 | 0 | 0 | 0 | 112.5 | H89 S109 D111 S132 T142 | H89-T113 PolarHBondContact CE1-OG1 3.28Å; H89-T113 VanDerWaalsContact CE1-OG1 3.23Å; H89-T113 PolarHBondContact ND1-OG1 3.08Å; S109-T113 PolarHBondContact N-O 3.42Å; D111-T113 VanDerWaalsContact CG-OG1 3.26Å; D111-T113 PolarHBondContact O-N 2.84Å; D111-T113 WeakPolarHBondContact OD1-CA 3.25Å; D111-T113 VanDerWaalsContact OD1-CB 3.27Å; D111-T113 WeakPolarHBondContact OD1-CB 3.05Å; D111-T113 PolarHBondContact OD1-N 3.18Å; D111-T113 PolarHBondContact OD1-OG1 2.95Å; D111-T113 PolarHBondContact OD2-OG1 3.45Å; T113-S132 CarbonylContact C-O 3.48Å; T113-S132 WeakPolarHBondContact CA-O 3.34Å; T113-T142 PolarHBondContact O-OG1 3.07Å |
| 114 | V | 98.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.2 | 158 | 57.7 | 0 | 0 | 0 | 0 | 107.4 | S107 L116 S132 L154 V156 I174 | S107-V114 WeakPolarHBondContact O-CA 3.42Å; V114-L116 HydrophobicContact CG2-CD2 4.2Å; V114-S132 PolarHBondContact N-O 2.94Å; V114-S132 PolarHBondContact O-N 2.73Å; V114-L154 HydrophobicContact CG2-CD2 4.05Å; V114-V156 HydrophobicContact CB-CG1 4.22Å; V114-V156 HydrophobicContact CB-CG2 4.37Å; V114-V156 HydrophobicContact CG1-CG2 4.32Å; V114-V156 HydrophobicContact CG2-CG1 4.38Å; V114-V156 HydrophobicContact CG2-CG2 3.92Å; V114-I174 HydrophobicContact CG1-CD1 4.11Å |
| 115 | K | 98.6 | Very high | 93.1 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.9 | 179.5 | -69.9 | 180 | -168 | -79.7 | 0 | 110.2 | E88 H89 S106 S107 W117 L128 H130 S131 | E88-K115 HydrophobicContact CB-CD 3.98Å; E88-K115 WeakPolarHBondContact O-CE 3.35Å; E88-K115 PolarHBondContact O-NZ 3.12Å; H89-K115 WeakPolarHBondContact ND1-CE 3.49Å; S106-K115 CarbonylContact C-O 3.56Å; S106-K115 WeakPolarHBondContact CA-O 3.26Å; S107-K115 PolarHBondContact N-O 3.3Å; S107-K115 PolarHBondContact O-N 2.81Å; K115-W117 HydrophobicContact CB-CZ2 4.07Å; K115-W117 HydrophobicContact CD-CZ2 3.93Å; K115-L128 HydrophobicContact CB-CD1 3.62Å; K115-L128 HydrophobicContact CD-CD1 3.89Å; K115-L128 HydrophobicContact CG-CD1 3.86Å; K115-H130 CarbonylContact C-O 3.3Å; K115-H130 WeakPolarHBondContact CA-O 3.42Å; K115-S131 PolarHBondContact NZ-OG 3.2Å |
| 116 | L | 98.3 | Very high | 93 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 136.2 | 176.5 | -83.8 | -71.2 | 0 | 0 | 0 | 108.6 | F105 V114 V129 H130 F147 L154 L176 | F105-L116 WeakPolarHBondContact O-CA 3.45Å; V114-L116 HydrophobicContact CG2-CD2 4.2Å; L116-V129 WeakPolarHBondContact O-CB 3.31Å; L116-V129 PolarHBondContact O-N 3.19Å; L116-H130 HydrophobicContact CB-CB 4.15Å; L116-H130 PolarHBondContact N-O 2.83Å; L116-H130 PolarHBondContact O-N 3.4Å; L116-F147 HydrophobicContact CD1-CE1 4.09Å; L116-F147 HydrophobicContact CD1-CZ 3.6Å; L116-L154 HydrophobicContact CD1-CD2 4.26Å; L116-L154 HydrophobicContact CD2-CD2 3.68Å; L116-L176 HydrophobicContact CD1-CD2 3.9Å; L116-L176 HydrophobicContact CG-CD2 4.21Å |
| 117 | W | 98.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 42 Ų | 42 | 1% | 0.011 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145 | -171 | -52.2 | 84.1 | 0 | 0 | 0 | 110.4 | L86 E88 R104 F105 S107 K115 I126 S127 L128 I569 | L86-W117 HydrophobicContact CB-CH2 3.83Å; L86-W117 HydrophobicContact CB-CZ3 3.94Å; L86-W117 HydrophobicContact CD1-CD2 4.25Å; L86-W117 HydrophobicContact CD1-CE3 3.84Å; L86-W117 HydrophobicContact CD1-CH2 4.14Å; L86-W117 HydrophobicContact CD1-CZ3 3.79Å; L86-W117 HydrophobicContact CD2-CZ3 4.14Å; L86-W117 HydrophobicContact CG-CH2 4.48Å; L86-W117 HydrophobicContact CG-CZ3 4.17Å; E88-W117 HydrophobicContact CB-CH2 3.59Å; E88-W117 HydrophobicContact CB-CZ2 4.29Å; E88-W117 HydrophobicContact CB-CZ3 4.4Å; E88-W117 HydrophobicContact CG-CH2 3.44Å; E88-W117 VanDerWaalsContact CG-CH2 3.44Å; E88-W117 HydrophobicContact CG-CZ3 3.77Å; R104-W117 WeakPolarHBondContact CA-O 3.32Å; R104-W117 WeakPolarHBondContact CB-O 3.45Å; F105-W117 HydrophobicContact CD1-CB 3.69Å; F105-W117 HydrophobicContact CD1-CG 4.35Å; F105-W117 HydrophobicContact CD2-CB 4.24Å; F105-W117 AromaticContact CD2-CD1 3.57Å; F105-W117 HydrophobicContact CD2-CG 4.07Å; F105-W117 HydrophobicContact CE1-CB 3.26Å; F105-W117 AromaticContact CE1-CG 3.77Å; F105-W117 HydrophobicContact CE1-CG 3.77Å; F105-W117 HydrophobicContact CE2-CB 3.86Å; F105-W117 AromaticContact CE2-CD1 3.15Å; F105-W117 HydrophobicContact CE2-CD2 4.08Å; F105-W117 AromaticContact CE2-CG 3.44Å; F105-W117 HydrophobicContact CE2-CG 3.44Å; F105-W117 VanDerWaalsContact CE2-CG 3.44Å; F105-W117 AromaticContact CE2-NE1 3.63Å; F105-W117 HydrophobicContact CG-CB 4.15Å; F105-W117 HydrophobicContact CG-CG 4.48Å; F105-W117 HydrophobicContact CZ-CB 3.35Å; F105-W117 AromaticContact CZ-CD1 3.53Å; F105-W117 AromaticContact CZ-CD2 3.79Å; F105-W117 HydrophobicContact CZ-CD2 3.79Å; F105-W117 HydrophobicContact CZ-CE3 4.46Å; F105-W117 AromaticContact CZ-CG 3.26Å; F105-W117 HydrophobicContact CZ-CG 3.26Å; F105-W117 PolarHBondContact N-O 2.72Å; F105-W117 VanDerWaalsContact N-O 3.13Å; F105-W117 PolarHBondContact O-N 3.44Å; S107-W117 PolarHBondContact OG-NE1 3.48Å; K115-W117 HydrophobicContact CB-CZ2 4.07Å; K115-W117 HydrophobicContact CD-CZ2 3.93Å; W117-I126 HydrophobicContact CB-CG2 4.18Å; W117-I126 HydrophobicContact CE3-CG2 4.29Å; W117-S127 CarbonylContact C-O 3.57Å; W117-S127 WeakPolarHBondContact CA-O 3.13Å; W117-L128 HydrophobicContact CD2-CD1 4.16Å; W117-L128 HydrophobicContact CE3-CB 4.08Å; W117-L128 HydrophobicContact CE3-CD1 4.24Å; W117-L128 HydrophobicContact CH2-CD1 4.35Å; W117-L128 HydrophobicContact CZ2-CD1 4.24Å; W117-L128 HydrophobicContact CZ3-CB 4.03Å; W117-L128 HydrophobicContact CZ3-CD1 4.32Å; W117-I569 HydrophobicContact CZ2-CD1 3.87Å |
| 118 | D | 95.9 | Very high | 92.7 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 21% | 0.214 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 139 | 173.8 | -179.6 | 19.4 | 0 | 0 | 0 | 109.6 | E120 R121 I126 S127 V129 | D118-E120 PolarHBondContact OD1-N 2.54Å; D118-R121 WeakPolarHBondContact OD2-CG 3.45Å; D118-I126 VanDerWaalsContact O-CA 3.32Å; D118-I126 WeakPolarHBondContact O-CA 3.41Å; D118-S127 PolarHBondContact N-O 2.68Å; D118-S127 PolarHBondContact O-N 3.1Å; D118-S127 VanDerWaalsContact O-N 3.09Å; D118-V129 HydrophobicContact CB-CG2 3.41Å; D118-V129 VanDerWaalsContact CB-CG2 3.41Å |
| 119 | T | 93.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 47.2 Ų | 47.2 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -115.4 | -5.9 | -177.3 | 65.8 | 0 | 0 | 0 | 0 | 113.7 | F98 G102 H103 F105 I126 | F98-T119 HydrophobicContact CE1-CG2 4.08Å; G102-T119 PolarHBondContact O-OG1 3.1Å; H103-T119 WeakPolarHBondContact CA-OG1 3.4Å; H103-T119 PolarHBondContact O-N 2.8Å; H103-T119 PolarHBondContact O-OG1 2.89Å; F105-T119 HydrophobicContact CD1-CG2 3.62Å; F105-T119 HydrophobicContact CE1-CG2 3.95Å; T119-I126 HydrophobicContact CG2-CD1 4.11Å; T119-I126 HydrophobicContact CG2-CG1 4.15Å |
| 120 | E | 85.4 | Confident | 92.6 | Very high | 117 Ų | 117 | 49.5 Ų | 49.5 | 55% | 0.547 | 26% | 0.256 | S | S | . | . | trans | -109 | 18.9 | -174.5 | -65.4 | -154.5 | 141.9 | 0 | 0 | 114.4 | H103 D118 Q122 | H103-E120 HydrophobicContact CB-CG 4.11Å; H103-E120 VanDerWaalsContact CE1-CD 3.5Å; H103-E120 IonicContact CE1-OE1 3.13Å; H103-E120 PolarHBondContact CE1-OE1 3.4Å; H103-E120 IonicContact CE1-OE2 3.9Å; H103-E120 IonicContact CG-OE1 2.7Å; H103-E120 IonicContact CG-OE2 2.68Å; H103-E120 IonicContact ND1-OE1 3.54Å; H103-E120 PolarHBondContact ND1-OE1 2.87Å; H103-E120 IonicContact ND1-OE2 3.01Å; H103-E120 PolarHBondContact ND1-OE2 3.39Å; H103-E120 VanDerWaalsContact ND1-OE2 3.13Å; D118-E120 PolarHBondContact OD1-N 2.54Å; E120-Q122 PolarHBondContact O-N 2.97Å | ||
| 121 | R | 81.3 | Confident | 92.6 | Very high | 115 Ų | 115 | 48.5 Ų | 48.5 | 43% | 0.434 | 26% | 0.258 | S | S | . | . | trans | -57.9 | 144.3 | 176 | -69 | -156.6 | 166.7 | 178.3 | 16.7 | 111.3 | D118 D123 G124 S127 | D118-R121 WeakPolarHBondContact OD2-CG 3.45Å; R121-D123 WeakPolarHBondContact CB-OD1 3.47Å; R121-D123 PolarHBondContact O-N 2.89Å; R121-D123 VanDerWaalsContact O-N 3.16Å; R121-G124 WeakPolarHBondContact O-CA 3.31Å; R121-G124 PolarHBondContact O-N 3.37Å; R121-S127 VanDerWaalsContact CD-OG 3.25Å; R121-S127 WeakPolarHBondContact CD-OG 3.27Å; R121-S127 PolarHBondContact NE-OG 3.21Å; R121-S127 PolarHBondContact NH2-OG 2.66Å | ||
| 122 | Q | 74.9 | Confident | 92.5 | Very high | 209 Ų | 209 | 48.7 Ų | 48.7 | 98% | 0.977 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.9 | -177.7 | -66.1 | -178.3 | 2.5 | 0 | 0 | 113.1 | E120 G124 | E120-Q122 PolarHBondContact O-N 2.97Å; Q122-G124 PolarHBondContact O-N 3.2Å |
| 123 | D | 78.1 | Confident | 92.4 | Very high | 98 Ų | 98 | 51 Ų | 51 | 52% | 0.524 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -6.4 | 176.2 | 69.2 | -18 | 0 | 0 | 0 | 113.2 | R121 N125 | R121-D123 WeakPolarHBondContact CB-OD1 3.47Å; R121-D123 PolarHBondContact O-N 2.89Å; R121-D123 VanDerWaalsContact O-N 3.16Å; D123-N125 PolarHBondContact O-N 3.29Å; D123-N125 PolarHBondContact OD1-N 3.44Å; D123-N125 VanDerWaalsContact OD1-N 3.14Å; D123-N125 PolarHBondContact OD2-ND2 2.89Å |
| 124 | G | 78.9 | Confident | 92.3 | Very high | 51 Ų | 51 | 50.2 Ų | 50.2 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | S | Bend | trans | 78.3 | 2.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R121 Q122 | R121-G124 WeakPolarHBondContact O-CA 3.31Å; R121-G124 PolarHBondContact O-N 3.37Å; Q122-G124 PolarHBondContact O-N 3.2Å |
| 125 | N | 89.4 | Confident | 92.1 | Very high | 77 Ų | 77 | 57.5 Ų | 57.5 | 41% | 0.412 | 30% | 0.299 | S | S | . | . | trans | -91.3 | 145.5 | 179.5 | -67.4 | -35.3 | 0 | 0 | 0 | 111.4 | D123 | D123-N125 PolarHBondContact O-N 3.29Å; D123-N125 PolarHBondContact OD1-N 3.44Å; D123-N125 VanDerWaalsContact OD1-N 3.14Å; D123-N125 PolarHBondContact OD2-ND2 2.89Å | ||
| 126 | I | 96.2 | Very high | 91.8 | Very high | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | trans | -78.6 | 142.1 | 169.6 | -67.9 | 179.9 | 0 | 0 | 0 | 109.1 | Q84 L86 F105 W117 D118 T119 L561 V571 | Q84-I126 PolarHBondContact NE2-O 2.89Å; L86-I126 HydrophobicContact CD1-CG2 3.7Å; L86-I126 HydrophobicContact CD2-CB 4.41Å; L86-I126 HydrophobicContact CD2-CG2 4.19Å; F105-I126 HydrophobicContact CE1-CD1 4.03Å; F105-I126 HydrophobicContact CE1-CG2 3.45Å; F105-I126 VanDerWaalsContact CE1-CG2 3.45Å; F105-I126 HydrophobicContact CZ-CG2 3.78Å; W117-I126 HydrophobicContact CB-CG2 4.18Å; W117-I126 HydrophobicContact CE3-CG2 4.29Å; D118-I126 VanDerWaalsContact O-CA 3.32Å; D118-I126 WeakPolarHBondContact O-CA 3.41Å; T119-I126 HydrophobicContact CG2-CD1 4.11Å; T119-I126 HydrophobicContact CG2-CG1 4.15Å; I126-L561 HydrophobicContact CD1-CD2 3.86Å; I126-V571 HydrophobicContact CD1-CB 4.41Å; I126-V571 HydrophobicContact CD1-CG1 3.66Å; I126-V571 HydrophobicContact CD1-CG2 3.8Å | ||
| 127 | S | 95.6 | Very high | 91.4 | Very high | 17 Ų | 17 | 65.6 Ų | 65.6 | 12% | 0.119 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 154.9 | -176.2 | 65.3 | 0 | 0 | 0 | 0 | 112.7 | W117 D118 R121 | W117-S127 CarbonylContact C-O 3.57Å; W117-S127 WeakPolarHBondContact CA-O 3.13Å; D118-S127 PolarHBondContact N-O 2.68Å; D118-S127 PolarHBondContact O-N 3.1Å; D118-S127 VanDerWaalsContact O-N 3.09Å; R121-S127 VanDerWaalsContact CD-OG 3.25Å; R121-S127 WeakPolarHBondContact CD-OG 3.27Å; R121-S127 PolarHBondContact NE-OG 3.21Å; R121-S127 PolarHBondContact NH2-OG 2.66Å |
| 128 | L | 97.4 | Very high | 91.1 | Very high | 53 Ų | 53 | 69.9 Ų | 69.9 | 28% | 0.277 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 132.2 | 175.1 | -173 | 66.8 | 0 | 0 | 0 | 110.4 | E88 K115 W117 H130 | E88-L128 HydrophobicContact CB-CD2 4.47Å; E88-L128 HydrophobicContact CG-CD2 4.3Å; K115-L128 HydrophobicContact CB-CD1 3.62Å; K115-L128 HydrophobicContact CD-CD1 3.89Å; K115-L128 HydrophobicContact CG-CD1 3.86Å; W117-L128 HydrophobicContact CD2-CD1 4.16Å; W117-L128 HydrophobicContact CE3-CB 4.08Å; W117-L128 HydrophobicContact CE3-CD1 4.24Å; W117-L128 HydrophobicContact CH2-CD1 4.35Å; W117-L128 HydrophobicContact CZ2-CD1 4.24Å; W117-L128 HydrophobicContact CZ3-CB 4.03Å; W117-L128 HydrophobicContact CZ3-CD1 4.32Å; L128-H130 WeakPolarHBondContact CD1-O 3.02Å |
| 129 | V | 96 | Very high | 91.1 | Very high | 56 Ų | 56 | 68.1 Ų | 68.1 | 34% | 0.339 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -46.4 | 175.4 | -179.8 | 0 | 0 | 0 | 0 | 110.5 | L116 D118 Y179 | L116-V129 WeakPolarHBondContact O-CB 3.31Å; L116-V129 PolarHBondContact O-N 3.19Å; D118-V129 HydrophobicContact CB-CG2 3.41Å; D118-V129 VanDerWaalsContact CB-CG2 3.41Å; V129-Y179 VanDerWaalsContact CG1-OH 3.26Å; V129-Y179 WeakPolarHBondContact CG1-OH 3.2Å |
| 130 | H | 97.2 | Very high | 91 | Very high | 49 Ų | 49 | 68.3 Ų | 68.3 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 149.5 | -175.8 | -174.9 | 77.2 | 0 | 0 | 0 | 110.9 | K115 L116 L128 S132 Y179 | K115-H130 CarbonylContact C-O 3.3Å; K115-H130 WeakPolarHBondContact CA-O 3.42Å; L116-H130 HydrophobicContact CB-CB 4.15Å; L116-H130 PolarHBondContact N-O 2.83Å; L116-H130 PolarHBondContact O-N 3.4Å; L128-H130 WeakPolarHBondContact CD1-O 3.02Å; H130-S132 PolarHBondContact CD2-OG 2.93Å; H130-S132 PolarHBondContact NE2-OG 3.36Å; H130-Y179 HydrophobicContact CB-CD1 3.85Å; H130-Y179 HydrophobicContact CB-CD2 4.39Å; H130-Y179 HydrophobicContact CB-CE1 3.83Å; H130-Y179 HydrophobicContact CB-CE2 4.37Å; H130-Y179 HydrophobicContact CB-CG 4.14Å; H130-Y179 AromaticContact CD2-CD1 3.87Å; H130-Y179 AromaticContact CD2-CG 3.88Å; H130-Y179 VanDerWaalsContact CE1-CB 3.49Å; H130-Y179 WeakPolarHBondContact CE1-CB 3.36Å; H130-Y179 AromaticContact CE1-CG 3.87Å; H130-Y179 AromaticContact CG-CD1 3.66Å; H130-Y179 AromaticContact CG-CG 3.58Å; H130-Y179 AromaticContact ND1-CD2 3.71Å; H130-Y179 AromaticContact ND1-CG 3.58Å |
| 131 | S | 97.6 | Very high | 91.5 | Very high | 52 Ų | 52 | 64.9 Ų | 64.9 | 36% | 0.364 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 116.4 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 108.8 | K115 | K115-S131 PolarHBondContact NZ-OG 3.2Å |
| 132 | S | 95.6 | Very high | 92.2 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 15% | 0.147 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 132.1 | 177.6 | -28.1 | 0 | 0 | 0 | 0 | 110 | T113 V114 H130 | T113-S132 CarbonylContact C-O 3.48Å; T113-S132 WeakPolarHBondContact CA-O 3.34Å; V114-S132 PolarHBondContact N-O 2.94Å; V114-S132 PolarHBondContact O-N 2.73Å; H130-S132 PolarHBondContact CD2-OG 2.93Å; H130-S132 PolarHBondContact NE2-OG 3.36Å |
| 133 | S | 96.2 | Very high | 93.2 | Very high | 49 Ų | 49 | 50.2 Ų | 50.2 | 34% | 0.343 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 125.3 | 171.3 | -177.9 | 0 | 0 | 0 | 0 | 110.5 | R135 | S133-R135 VanDerWaalsContact C-N 3.28Å; S133-R135 WeakPolarHBondContact OG-CB 3.46Å; S133-R135 PolarHBondContact OG-N 3Å |
| 134 | M | 95.4 | Very high | 94.1 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.015 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -86.8 | -0.5 | 176.4 | -59.7 | -57.4 | -75.7 | 0 | 0 | 112.7 | C112 Q136 F137 W139 T142 A172 | C112-M134 PolarHBondContact O-N 3.05Å; M134-Q136 PolarHBondContact O-N 2.87Å; M134-F137 HydrophobicContact CE-CD2 3.69Å; M134-F137 HydrophobicContact CE-CE2 4.16Å; M134-F137 PolarHBondContact O-N 2.81Å; M134-F137 HydrophobicContact SD-CD2 3.93Å; M134-F137 HydrophobicContact SD-CE2 4.11Å; M134-W139 HydrophobicContact CB-CB 3.88Å; M134-W139 HydrophobicContact CB-CD2 3.67Å; M134-W139 HydrophobicContact CB-CE3 3.51Å; M134-W139 HydrophobicContact CB-CG 3.86Å; M134-W139 HydrophobicContact CB-CZ3 4.27Å; M134-W139 HydrophobicContact CE-CD2 4.11Å; M134-W139 HydrophobicContact CE-CE3 4.12Å; M134-W139 HydrophobicContact CE-CH2 3.68Å; M134-W139 HydrophobicContact CE-CZ2 3.65Å; M134-W139 HydrophobicContact CE-CZ3 3.91Å; M134-W139 HydrophobicContact CG-CD2 4.26Å; M134-W139 HydrophobicContact CG-CE3 3.74Å; M134-W139 HydrophobicContact CG-CZ3 3.99Å; M134-W139 WeakPolarHBondContact O-CB 3.37Å; M134-W139 PolarHBondContact O-N 2.95Å; M134-T142 HydrophobicContact CB-CG2 4.18Å; M134-T142 HydrophobicContact CG-CG2 3.7Å; M134-A172 HydrophobicContact CE-CB 3.5Å |
| 135 | R | 94.5 | Very high | 95 | Very high | 152 Ų | 152 | 44.5 Ų | 44.5 | 57% | 0.574 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -56.7 | -36.8 | 179.3 | -173.2 | 178.5 | -61.8 | -74 | -2.9 | 112.4 | C112 S133 F137 N138 | C112-R135 HydrophobicContact CB-CB 4.38Å; C112-R135 PolarHBondContact SG-NH2 2.86Å; S133-R135 VanDerWaalsContact C-N 3.28Å; S133-R135 WeakPolarHBondContact OG-CB 3.46Å; S133-R135 PolarHBondContact OG-N 3Å; R135-F137 PolarHBondContact O-N 3.24Å; R135-F137 VanDerWaalsContact O-N 3.11Å; R135-N138 PolarHBondContact O-N 2.97Å |
| 136 | Q | 91.1 | Very high | 95.4 | Very high | 144 Ų | 144 | 43.5 Ų | 43.5 | 67% | 0.673 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -61.9 | -16.3 | 177.5 | 68.6 | -165.7 | 22.3 | 0 | 0 | 114 | M134 | M134-Q136 PolarHBondContact O-N 2.87Š|
| 137 | F | 90.9 | Very high | 95.4 | Very high | 46 Ų | 46 | 43.3 Ų | 43.3 | 20% | 0.202 | 22% | 0.222 | C | C | . | . | G | 310 helix | trans | -102.6 | 16.7 | 177.5 | -56.7 | -61.3 | 0 | 0 | 0 | 112.8 | M134 R135 W139 L181 | M134-F137 HydrophobicContact CE-CD2 3.69Å; M134-F137 HydrophobicContact CE-CE2 4.16Å; M134-F137 PolarHBondContact O-N 2.81Å; M134-F137 HydrophobicContact SD-CD2 3.93Å; M134-F137 HydrophobicContact SD-CE2 4.11Å; R135-F137 PolarHBondContact O-N 3.24Å; R135-F137 VanDerWaalsContact O-N 3.11Å; F137-W139 VanDerWaalsContact C-N 3.32Å; F137-L181 HydrophobicContact CD1-CD2 4.35Å; F137-L181 HydrophobicContact CD2-CD2 4.46Å; F137-L181 HydrophobicContact CE1-CD2 3.7Å; F137-L181 HydrophobicContact CE2-CD2 3.82Å; F137-L181 HydrophobicContact CZ-CD2 3.39Å |
| 138 | N | 92.7 | Very high | 95.5 | Very high | 94 Ų | 94 | 42.5 Ų | 42.5 | 50% | 0.503 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 33.8 | -174.9 | -60.5 | 0.4 | 0 | 0 | 0 | 113.7 | R135 Y160 L161 | R135-N138 PolarHBondContact O-N 2.97Å; N138-Y160 HydrophobicContact CB-CD2 4.27Å; N138-Y160 HydrophobicContact CB-CE2 3.86Å; N138-L161 PolarHBondContact O-N 3.28Å |
| 139 | W | 94.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 42.4 Ų | 42.4 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 139.6 | 173.2 | -69.7 | 23.7 | 0 | 0 | 0 | 110.7 | M134 F137 T142 V156 V159 E170 A172 | M134-W139 HydrophobicContact CB-CB 3.88Å; M134-W139 HydrophobicContact CB-CD2 3.67Å; M134-W139 HydrophobicContact CB-CE3 3.51Å; M134-W139 HydrophobicContact CB-CG 3.86Å; M134-W139 HydrophobicContact CB-CZ3 4.27Å; M134-W139 HydrophobicContact CE-CD2 4.11Å; M134-W139 HydrophobicContact CE-CE3 4.12Å; M134-W139 HydrophobicContact CE-CH2 3.68Å; M134-W139 HydrophobicContact CE-CZ2 3.65Å; M134-W139 HydrophobicContact CE-CZ3 3.91Å; M134-W139 HydrophobicContact CG-CD2 4.26Å; M134-W139 HydrophobicContact CG-CE3 3.74Å; M134-W139 HydrophobicContact CG-CZ3 3.99Å; M134-W139 WeakPolarHBondContact O-CB 3.37Å; M134-W139 PolarHBondContact O-N 2.95Å; F137-W139 VanDerWaalsContact C-N 3.32Å; W139-T142 HydrophobicContact CE3-CG2 4.02Å; W139-T142 HydrophobicContact CZ3-CG2 4.11Å; W139-V156 HydrophobicContact CZ3-CG1 4.13Å; W139-V159 CarbonylContact C-O 3.49Å; W139-V159 VanDerWaalsContact CA-O 3.26Å; W139-V159 WeakPolarHBondContact CA-O 3.36Å; W139-E170 WeakPolarHBondContact CH2-O 3.33Å; W139-E170 HydrophobicContact CZ2-CB 3.81Å; W139-E170 HydrophobicContact CZ2-CG 3.97Å; W139-E170 PolarHBondContact NE1-OE2 2.8Å; W139-A172 HydrophobicContact CH2-CB 3.81Å; W139-A172 HydrophobicContact CZ2-CB 3.97Å |
| 140 | G | 93.1 | Very high | 95.3 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 22% | 0.216 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | -36.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | C112 V159 | C112-G140 VanDerWaalsContact SG-C 3.6Å; C112-G140 PolarHBondContact SG-O 2.84Å; G140-V159 PolarHBondContact N-O 3.48Å |
| 141 | Y | 95.1 | Very high | 95.2 | Very high | 44 Ų | 44 | 41.6 Ų | 41.6 | 17% | 0.173 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.4 | 162.3 | 173.7 | 53.5 | -79.3 | 0 | 0 | 0 | 111.9 | L94 K110 Q143 G158 V159 | L94-Y141 HydrophobicContact CD1-CD2 3.62Å; L94-Y141 HydrophobicContact CD1-CE2 3.8Å; K110-Y141 HydrophobicContact CG-CD2 4.25Å; K110-Y141 HydrophobicContact CG-CG 4.35Å; Y141-Q143 HydrophobicContact CD2-CG 3.45Å; Y141-Q143 VanDerWaalsContact CD2-CG 3.45Å; Y141-Q143 HydrophobicContact CE2-CG 3.21Å; Y141-Q143 VanDerWaalsContact CZ-NE2 3.26Å; Y141-Q143 PolarHBondContact OH-NE2 2.63Å; Y141-G158 VanDerWaalsContact O-CA 3.23Å; Y141-G158 WeakPolarHBondContact O-CA 3.42Å; Y141-V159 HydrophobicContact CD1-CB 4.31Å; Y141-V159 HydrophobicContact CD1-CG2 4.2Å; Y141-V159 HydrophobicContact CD2-CG2 4.47Å; Y141-V159 HydrophobicContact CE1-CB 4Å; Y141-V159 HydrophobicContact CE1-CG2 3.58Å; Y141-V159 HydrophobicContact CE2-CG2 3.96Å; Y141-V159 VanDerWaalsContact CZ-CG2 3.43Å; Y141-V159 PolarHBondContact O-N 2.92Å |
| 142 | T | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 141.6 | 170 | 60.9 | 0 | 0 | 0 | 0 | 108.9 | C108 S109 T113 M134 W139 V156 | C108-T142 WeakPolarHBondContact CA-OG1 3.42Å; C108-T142 WeakPolarHBondContact CB-OG1 3.23Å; S109-T142 PolarHBondContact N-OG1 3.16Å; S109-T142 PolarHBondContact O-N 2.76Å; S109-T142 PolarHBondContact O-OG1 2.92Å; T113-T142 PolarHBondContact O-OG1 3.07Å; M134-T142 HydrophobicContact CB-CG2 4.18Å; M134-T142 HydrophobicContact CG-CG2 3.7Å; W139-T142 HydrophobicContact CE3-CG2 4.02Å; W139-T142 HydrophobicContact CZ3-CG2 4.11Å; T142-V156 HydrophobicContact CG2-CG1 4.14Å |
| 143 | Q | 94.2 | Very high | 95.2 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | -40.1 | -169.1 | -78 | -178.2 | -34.8 | 0 | 0 | 114 | L94 H95 Y141 S157 V159 Y190 F193 | L94-Q143 HydrophobicContact CD1-CG 4.41Å; H95-Q143 VanDerWaalsContact CB-O 3.25Å; H95-Q143 WeakPolarHBondContact CB-O 3.43Å; Y141-Q143 HydrophobicContact CD2-CG 3.45Å; Y141-Q143 VanDerWaalsContact CD2-CG 3.45Å; Y141-Q143 HydrophobicContact CE2-CG 3.21Å; Y141-Q143 VanDerWaalsContact CZ-NE2 3.26Å; Y141-Q143 PolarHBondContact OH-NE2 2.63Å; Q143-S157 PolarHBondContact N-O 3.28Å; Q143-V159 HydrophobicContact CG-CG2 4.24Å; Q143-Y190 PolarHBondContact OE1-O 2.78Å; Q143-F193 HydrophobicContact CB-CD1 4.4Å; Q143-F193 HydrophobicContact CB-CE1 4.08Å |
| 144 | F | 96.7 | Very high | 95.2 | Very high | 29 Ų | 29 | 39.1 Ų | 39.1 | 13% | 0.127 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 150 | -173.1 | 169.8 | -86.2 | 0 | 0 | 0 | 110 | H95 Q146 L155 V156 S157 F193 F510 | H95-F144 AromaticContact CD2-CD2 3.49Å; H95-F144 VanDerWaalsContact CD2-CD2 3.49Å; H95-F144 WeakPolarHBondContact CD2-CD2 3.3Å; H95-F144 AromaticContact CE1-CD2 3.38Å; H95-F144 WeakPolarHBondContact CE1-CD2 3.28Å; H95-F144 AromaticContact CE1-CE2 3.4Å; H95-F144 VanDerWaalsContact CE1-CE2 3.4Å; H95-F144 WeakPolarHBondContact CE1-CE2 3.45Å; H95-F144 AromaticContact CG-CD2 3.83Å; H95-F144 AromaticContact ND1-CD2 3.77Å; H95-F144 AromaticContact NE2-CD2 3.2Å; H95-F144 WeakPolarHBondContact NE2-CD2 3.21Å; H95-F144 AromaticContact NE2-CE2 3.22Å; H95-F144 WeakPolarHBondContact NE2-CE2 3.3Å; F144-Q146 HydrophobicContact CE1-CB 3.99Å; F144-Q146 HydrophobicContact CZ-CB 4.26Å; F144-L155 HydrophobicContact CD1-CD2 4.4Å; F144-L155 HydrophobicContact CE1-CD2 4.48Å; F144-V156 CarbonylContact O-C 3.58Å; F144-V156 WeakPolarHBondContact O-CA 3.45Å; F144-S157 WeakPolarHBondContact CB-OG 3.49Å; F144-S157 PolarHBondContact N-O 3Å; F144-S157 PolarHBondContact O-N 2.93Å; F144-S157 PolarHBondContact O-OG 2.91Å; F144-F193 HydrophobicContact CB-CB 4.15Å; F144-F193 HydrophobicContact CB-CD1 4.03Å; F144-F193 HydrophobicContact CB-CG 4Å; F144-F193 HydrophobicContact CD1-CB 3.89Å; F144-F193 HydrophobicContact CG-CB 4.03Å; F144-F193 HydrophobicContact CG-CG 4.22Å; F144-F510 HydrophobicContact CD2-CD1 4.32Å; F144-F510 AromaticContact CD2-CE1 3.66Å; F144-F510 HydrophobicContact CD2-CE1 3.66Å; F144-F510 HydrophobicContact CD2-CZ 4.13Å; F144-F510 HydrophobicContact CE2-CE1 4.17Å |
| 145 | S | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.7 | 178.7 | 56.8 | 0 | 0 | 0 | 0 | 111.9 | H95 A97 S106 L155 | H95-S145 PolarHBondContact CE1-O 3.01Å; H95-S145 PolarHBondContact ND1-N 2.79Å; H95-S145 PolarHBondContact ND1-O 2.83Å; A97-S145 VanDerWaalsContact CB-O 3.31Å; A97-S145 WeakPolarHBondContact CB-O 3.36Å; S106-S145 WeakPolarHBondContact OG-CB 3.43Å; S106-S145 PolarHBondContact OG-OG 3.44Å; S145-L155 CarbonylContact C-O 3.56Å; S145-L155 WeakPolarHBondContact CA-O 3.45Å; S145-L155 WeakPolarHBondContact CB-O 3.47Å |
| 146 | Q | 97.9 | Very high | 95.4 | Very high | 57 Ų | 57 | 31.7 Ų | 31.7 | 27% | 0.266 | 17% | 0.165 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 131.6 | 176.3 | -164 | -174.5 | 28.6 | 0 | 0 | 110.9 | F144 L155 W196 | F144-Q146 HydrophobicContact CE1-CB 3.99Å; F144-Q146 HydrophobicContact CZ-CB 4.26Å; Q146-L155 PolarHBondContact N-O 3.26Å; Q146-L155 WeakPolarHBondContact O-CB 3.26Å; Q146-L155 PolarHBondContact O-N 2.84Å; Q146-W196 PolarHBondContact O-NE1 2.81Å |
| 147 | F | 97.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 25 Ų | 25 | 1% | 0.013 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 139.4 | 170 | -70.4 | -101.8 | 0 | 0 | 0 | 110 | A97 F98 H100 L116 L154 L176 | A97-F147 HydrophobicContact CB-CD2 4.42Å; A97-F147 VanDerWaalsContact O-CE2 3.27Å; A97-F147 WeakPolarHBondContact O-CE2 3.5Å; F98-F147 WeakPolarHBondContact O-CD2 3.39Å; H100-F147 PolarHBondContact NE2-O 2.92Å; H100-F147 VanDerWaalsContact NE2-O 3.16Å; L116-F147 HydrophobicContact CD1-CE1 4.09Å; L116-F147 HydrophobicContact CD1-CZ 3.6Å; F147-L154 HydrophobicContact CD1-CD1 4.32Å; F147-L154 HydrophobicContact CD2-CD1 3.84Å; F147-L154 HydrophobicContact CE1-CD1 4.32Å; F147-L154 HydrophobicContact CE2-CD1 3.82Å; F147-L154 HydrophobicContact CG-CD1 4.09Å; F147-L154 HydrophobicContact CZ-CD1 4.08Å; F147-L176 HydrophobicContact CD1-CD1 3.46Å; F147-L176 VanDerWaalsContact CD1-CD1 3.46Å; F147-L176 HydrophobicContact CE1-CD1 3.43Å; F147-L176 VanDerWaalsContact CE1-CD1 3.43Å; F147-L176 HydrophobicContact CE1-CD2 4.35Å |
| 148 | N | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | trans | -68.5 | 161.5 | 170.6 | 73.9 | -25.2 | 0 | 0 | 0 | 110.5 | H100 D150 D151 T152 L153 W196 E199 | H100-N148 PolarHBondContact CD2-O 2.8Å; H100-N148 PolarHBondContact NE2-O 2.72Å; N148-D150 PolarHBondContact ND2-OD1 2.84Å; N148-D150 PolarHBondContact O-N 2.79Å; N148-D150 PolarHBondContact OD1-OD1 2.93Å; N148-D151 PolarHBondContact O-N 2.72Å; N148-D151 PolarHBondContact OD1-N 2.94Å; N148-T152 PolarHBondContact ND2-OG1 2.91Å; N148-T152 VanDerWaalsContact ND2-OG1 3.11Å; N148-T152 PolarHBondContact OD1-N 2.84Å; N148-L153 HydrophobicContact CB-CB 4.22Å; N148-L153 PolarHBondContact N-O 2.99Å; N148-L153 PolarHBondContact OD1-N 2.89Å; N148-L153 PolarHBondContact OD1-O 3.45Å; N148-L153 VanDerWaalsContact OD1-O 3.11Å; N148-W196 HydrophobicContact CB-CD2 3.62Å; N148-W196 HydrophobicContact CB-CE3 3.98Å; N148-W196 HydrophobicContact CB-CG 4.03Å; N148-W196 HydrophobicContact CB-CH2 4.25Å; N148-W196 HydrophobicContact CB-CZ2 3.91Å; N148-W196 HydrophobicContact CB-CZ3 4.28Å; N148-E199 PolarHBondContact ND2-O 3.04Å | ||
| 149 | P | 93.8 | Very high | 95.8 | Very high | 52 Ų | 52 | 18.6 Ų | 18.6 | 34% | 0.338 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -26 | -171.2 | -30.6 | 34.6 | 0 | 0 | 0 | 117.4 | E199 | P149-E199 HydrophobicContact CB-CG 4.24Š|
| 150 | D | 94.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 20.1 Ų | 20.1 | 35% | 0.348 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 3.5 | -179.9 | 66.9 | -12.8 | 0 | 0 | 0 | 114 | N148 T152 E199 | N148-D150 PolarHBondContact ND2-OD1 2.84Å; N148-D150 PolarHBondContact O-N 2.79Å; N148-D150 PolarHBondContact OD1-OD1 2.93Å; D150-T152 VanDerWaalsContact C-N 3.29Å; D150-T152 HydrophobicContact CB-CG2 4.44Å; D150-T152 VanDerWaalsContact CG-OG1 3.23Å; D150-T152 PolarHBondContact O-N 3.46Å; D150-T152 PolarHBondContact OD1-N 2.96Å; D150-T152 PolarHBondContact OD1-OG1 3.22Å; D150-T152 WeakPolarHBondContact OD2-CG2 3.43Å; D150-T152 PolarHBondContact OD2-OG1 3.49Å; D150-T152 VanDerWaalsContact OD2-OG1 3.07Å; D150-E199 HydrophobicContact CB-CG 4.38Å |
| 151 | D | 95.7 | Very high | 95.3 | Very high | 23 Ų | 23 | 23.6 Ų | 23.6 | 12% | 0.123 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 62.2 | 24.8 | -178.2 | -69.5 | -23.8 | 0 | 0 | 0 | 115 | S99 H100 R101 N148 L176 | S99-D151 WeakPolarHBondContact CA-OD1 3.27Å; S99-D151 WeakPolarHBondContact CB-OD1 3.06Å; S99-D151 VanDerWaalsContact CB-OD2 3.25Å; S99-D151 WeakPolarHBondContact CB-OD2 3.27Å; S99-D151 PolarHBondContact OG-OD2 2.83Å; H100-D151 IonicContact CD2-OD1 3.67Å; H100-D151 PolarHBondContact CD2-OD1 2.84Å; H100-D151 VanDerWaalsContact CD2-OD1 3.24Å; H100-D151 IonicContact CG-OD1 2.54Å; H100-D151 VanDerWaalsContact N-CG 3.28Å; H100-D151 PolarHBondContact N-OD1 3.43Å; H100-D151 PolarHBondContact N-OD2 2.78Å; R101-D151 WeakPolarHBondContact CB-OD2 3.5Å; R101-D151 WeakPolarHBondContact CG-OD2 3.15Å; R101-D151 PolarHBondContact N-OD2 2.76Å; N148-D151 PolarHBondContact O-N 2.72Å; N148-D151 PolarHBondContact OD1-N 2.94Å; D151-L176 WeakPolarHBondContact O-CD1 3.46Å |
| 152 | T | 96.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 22.3 Ų | 22.3 | 30% | 0.301 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -93.7 | -25.3 | 178.9 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | N148 D150 L176 | N148-T152 PolarHBondContact ND2-OG1 2.91Å; N148-T152 VanDerWaalsContact ND2-OG1 3.11Å; N148-T152 PolarHBondContact OD1-N 2.84Å; D150-T152 VanDerWaalsContact C-N 3.29Å; D150-T152 HydrophobicContact CB-CG2 4.44Å; D150-T152 VanDerWaalsContact CG-OG1 3.23Å; D150-T152 PolarHBondContact O-N 3.46Å; D150-T152 PolarHBondContact OD1-N 2.96Å; D150-T152 PolarHBondContact OD1-OG1 3.22Å; D150-T152 WeakPolarHBondContact OD2-CG2 3.43Å; D150-T152 PolarHBondContact OD2-OG1 3.49Å; D150-T152 VanDerWaalsContact OD2-OG1 3.07Å; T152-L176 WeakPolarHBondContact O-CB 3.3Å; T152-L176 PolarHBondContact O-N 2.86Å |
| 153 | L | 96.6 | Very high | 93.7 | Very high | 20 Ų | 20 | 26.9 Ų | 26.9 | 11% | 0.105 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 147.3 | -177.7 | -55.2 | 177.3 | 0 | 0 | 0 | 111.5 | N148 V173 I174 L182 W196 A224 | N148-L153 HydrophobicContact CB-CB 4.22Å; N148-L153 PolarHBondContact N-O 2.99Å; N148-L153 PolarHBondContact OD1-N 2.89Å; N148-L153 PolarHBondContact OD1-O 3.45Å; N148-L153 VanDerWaalsContact OD1-O 3.11Å; L153-V173 HydrophobicContact CB-CG1 4.27Å; L153-V173 HydrophobicContact CD1-CG1 4.18Å; L153-I174 WeakPolarHBondContact CA-O 3.26Å; L153-L182 HydrophobicContact CD2-CD1 3.53Å; L153-W196 HydrophobicContact CB-CH2 4.08Å; L153-W196 HydrophobicContact CB-CZ2 3.96Å; L153-W196 HydrophobicContact CD1-CH2 3.91Å; L153-A224 HydrophobicContact CD1-CB 3.84Å |
| 154 | L | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.3 | 172.1 | -174.7 | 69.1 | 0 | 0 | 0 | 110.2 | V114 L116 F147 V156 V173 I174 L176 | V114-L154 HydrophobicContact CG2-CD2 4.05Å; L116-L154 HydrophobicContact CD1-CD2 4.26Å; L116-L154 HydrophobicContact CD2-CD2 3.68Å; F147-L154 HydrophobicContact CD1-CD1 4.32Å; F147-L154 HydrophobicContact CD2-CD1 3.84Å; F147-L154 HydrophobicContact CE1-CD1 4.32Å; F147-L154 HydrophobicContact CE2-CD1 3.82Å; F147-L154 HydrophobicContact CG-CD1 4.09Å; F147-L154 HydrophobicContact CZ-CD1 4.08Å; L154-V156 HydrophobicContact CD2-CG2 3.71Å; L154-V156 HydrophobicContact CG-CG2 3.82Å; L154-V173 CarbonylContact O-C 3.58Å; L154-V173 WeakPolarHBondContact O-CA 3.28Å; L154-I174 HydrophobicContact CB-CB 4.44Å; L154-I174 PolarHBondContact N-O 2.86Å; L154-I174 PolarHBondContact O-N 3.02Å; L154-L176 HydrophobicContact CB-CD1 4.4Å; L154-L176 HydrophobicContact CB-CD2 4.01Å; L154-L176 HydrophobicContact CB-CG 4.25Å |
| 155 | L | 97.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 130.3 | 164.2 | -178 | 156.2 | 0 | 0 | 0 | 108 | F144 S145 Q146 I171 W196 L202 | F144-L155 HydrophobicContact CD1-CD2 4.4Å; F144-L155 HydrophobicContact CE1-CD2 4.48Å; S145-L155 CarbonylContact C-O 3.56Å; S145-L155 WeakPolarHBondContact CA-O 3.45Å; S145-L155 WeakPolarHBondContact CB-O 3.47Å; Q146-L155 PolarHBondContact N-O 3.26Å; Q146-L155 WeakPolarHBondContact O-CB 3.26Å; Q146-L155 PolarHBondContact O-N 2.84Å; L155-I171 HydrophobicContact CD1-CG2 3.89Å; L155-I171 HydrophobicContact CD2-CG2 3.95Å; L155-I171 HydrophobicContact CG-CG2 3.53Å; L155-W196 HydrophobicContact CB-CZ2 3.84Å; L155-L202 HydrophobicContact CD1-CB 4.01Å; L155-L202 HydrophobicContact CD1-CD2 4.29Å |
| 156 | V | 97.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 129.8 | 172.3 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | V114 W139 T142 F144 L154 I171 A172 I174 | V114-V156 HydrophobicContact CB-CG1 4.22Å; V114-V156 HydrophobicContact CB-CG2 4.37Å; V114-V156 HydrophobicContact CG1-CG2 4.32Å; V114-V156 HydrophobicContact CG2-CG1 4.38Å; V114-V156 HydrophobicContact CG2-CG2 3.92Å; W139-V156 HydrophobicContact CZ3-CG1 4.13Å; T142-V156 HydrophobicContact CG2-CG1 4.14Å; F144-V156 CarbonylContact O-C 3.58Å; F144-V156 WeakPolarHBondContact O-CA 3.45Å; L154-V156 HydrophobicContact CD2-CG2 3.71Å; L154-V156 HydrophobicContact CG-CG2 3.82Å; V156-I171 CarbonylContact O-C 3.57Å; V156-I171 WeakPolarHBondContact O-CA 3.42Å; V156-A172 PolarHBondContact N-O 3.35Å; V156-A172 PolarHBondContact O-N 3.09Å; V156-I174 HydrophobicContact CG2-CD1 3.91Å |
| 157 | S | 95.5 | Very high | 89.6 | Confident | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.014 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 148.4 | 174.1 | 70.3 | 0 | 0 | 0 | 0 | 110.5 | Q143 F144 E170 F193 | Q143-S157 PolarHBondContact N-O 3.28Å; F144-S157 WeakPolarHBondContact CB-OG 3.49Å; F144-S157 PolarHBondContact N-O 3Å; F144-S157 PolarHBondContact O-N 2.93Å; F144-S157 PolarHBondContact O-OG 2.91Å; S157-E170 WeakPolarHBondContact CA-O 3.45Å; S157-F193 WeakPolarHBondContact CB-O 3.26Å |
| 158 | G | 93.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 179 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y141 G169 E170 | Y141-G158 VanDerWaalsContact O-CA 3.23Å; Y141-G158 WeakPolarHBondContact O-CA 3.42Å; G158-G169 WeakPolarHBondContact O-CA 3.3Å; G158-E170 PolarHBondContact N-O 2.81Å; G158-E170 PolarHBondContact O-N 2.9Å |
| 159 | V | 92.4 | Very high | 88.7 | Confident | 7 Ų | 7 | 44.5 Ų | 44.5 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 111.6 | -179.4 | -174.5 | 0 | 0 | 0 | 0 | 109.5 | W139 G140 Y141 Q143 L161 Y190 | W139-V159 CarbonylContact C-O 3.49Å; W139-V159 VanDerWaalsContact CA-O 3.26Å; W139-V159 WeakPolarHBondContact CA-O 3.36Å; G140-V159 PolarHBondContact N-O 3.48Å; Y141-V159 HydrophobicContact CD1-CB 4.31Å; Y141-V159 HydrophobicContact CD1-CG2 4.2Å; Y141-V159 HydrophobicContact CD2-CG2 4.47Å; Y141-V159 HydrophobicContact CE1-CB 4Å; Y141-V159 HydrophobicContact CE1-CG2 3.58Å; Y141-V159 HydrophobicContact CE2-CG2 3.96Å; Y141-V159 VanDerWaalsContact CZ-CG2 3.43Å; Y141-V159 PolarHBondContact O-N 2.92Å; Q143-V159 HydrophobicContact CG-CG2 4.24Å; V159-L161 HydrophobicContact CG1-CD2 4.32Å; V159-Y190 HydrophobicContact CG2-CD2 4.16Å; V159-Y190 HydrophobicContact CG2-CG 4.14Å |
| 160 | Y | 90 | Very high | 88.6 | Confident | 34 Ų | 34 | 42.6 Ų | 42.6 | 13% | 0.133 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 129.4 | 168.8 | 175.4 | -96.6 | 0 | 0 | 0 | 110.6 | N138 S167 S168 | N138-Y160 HydrophobicContact CB-CD2 4.27Å; N138-Y160 HydrophobicContact CB-CE2 3.86Å; Y160-S167 WeakPolarHBondContact O-CA 3.18Å; Y160-S168 WeakPolarHBondContact CA-O 3.34Å; Y160-S168 WeakPolarHBondContact CB-O 3.27Å; Y160-S168 PolarHBondContact N-O 3.27Å; Y160-S168 PolarHBondContact O-N 2.78Å |
| 161 | L | 88.4 | Confident | 88.6 | Confident | 95 Ų | 95 | 39.5 Ų | 39.5 | 50% | 0.497 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 104.5 | 175.5 | -58.6 | 175.9 | 0 | 0 | 0 | 109 | N138 V159 | N138-L161 PolarHBondContact O-N 3.28Å; V159-L161 HydrophobicContact CG1-CD2 4.32Å |
| 162 | G | 80.8 | Confident | 88.5 | Confident | 17 Ų | 17 | 38.4 Ų | 38.4 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | trans | -87.5 | 177.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | S166 | G162-S166 WeakPolarHBondContact CA-O 3.42Å; G162-S166 PolarHBondContact N-O 3.3Å | ||
| 163 | P | 77.5 | Confident | 88.4 | Confident | 96 Ų | 96 | 36.1 Ų | 36.1 | 62% | 0.623 | 19% | 0.194 | S | C | * | . | G | 310 helix | trans | -57.7 | 157.3 | 173.3 | -21.4 | 32.7 | 0 | 0 | 0 | 112.4 | H165 S166 | P163-H165 VanDerWaalsContact C-N 3.27Å; P163-H165 PolarHBondContact O-N 3.35Å; P163-S166 WeakPolarHBondContact O-CB 3.44Å; P163-S166 PolarHBondContact O-N 3.08Å; P163-S166 VanDerWaalsContact O-N 3.14Å |
| 164 | H | 75.6 | Confident | 88.3 | Confident | 184 Ų | 184 | 35.5 Ų | 35.5 | 85% | 0.852 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | 56.4 | 33.5 | 176.1 | -53.5 | -70.4 | 0 | 0 | 0 | 115 | S166 | H164-S166 PolarHBondContact O-N 2.97Š|
| 165 | H | 67.5 | Low | 88.2 | Confident | 196 Ų | 196 | 36 Ų | 36 | 91% | 0.907 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | 62.2 | 20.5 | -178.2 | -47.7 | 87.1 | 0 | 0 | 0 | 114 | P163 | P163-H165 VanDerWaalsContact C-N 3.27Å; P163-H165 PolarHBondContact O-N 3.35Å |
| 166 | S | 76.1 | Confident | 88.1 | Confident | 57 Ų | 57 | 36.4 Ų | 36.4 | 40% | 0.399 | 20% | 0.197 | S | C | . | . | trans | -74.7 | 129.5 | 172.5 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | G162 P163 H164 | G162-S166 WeakPolarHBondContact CA-O 3.42Å; G162-S166 PolarHBondContact N-O 3.3Å; P163-S166 WeakPolarHBondContact O-CB 3.44Å; P163-S166 PolarHBondContact O-N 3.08Å; P163-S166 VanDerWaalsContact O-N 3.14Å; H164-S166 PolarHBondContact O-N 2.97Å | ||
| 167 | S | 81.1 | Confident | 87.9 | Confident | 23 Ų | 23 | 43.1 Ų | 43.1 | 16% | 0.161 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.4 | 168.9 | 59.1 | 0 | 0 | 0 | 0 | 111.3 | Y160 | Y160-S167 WeakPolarHBondContact O-CA 3.18Å |
| 168 | S | 85.9 | Confident | 87.8 | Confident | 13 Ų | 13 | 47.4 Ų | 47.4 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163.9 | 168.2 | 63 | 0 | 0 | 0 | 0 | 109.7 | Y160 | Y160-S168 WeakPolarHBondContact CA-O 3.34Å; Y160-S168 WeakPolarHBondContact CB-O 3.27Å; Y160-S168 PolarHBondContact N-O 3.27Å; Y160-S168 PolarHBondContact O-N 2.78Å |
| 169 | G | 89.1 | Confident | 87.7 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 151.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | G158 N187 Y190 | G158-G169 WeakPolarHBondContact O-CA 3.3Å; G169-N187 CarbonylContact C-O 3.53Å; G169-N187 VanDerWaalsContact C-O 3.25Å; G169-N187 WeakPolarHBondContact CA-O 3.48Å; G169-N187 PolarHBondContact N-O 2.79Å; G169-N187 PolarHBondContact O-N 3.37Å; G169-Y190 VanDerWaalsContact CA-CA 3.49Å |
| 170 | E | 91.8 | Very high | 87.7 | Confident | 12 Ų | 12 | 52.8 Ų | 52.8 | 6% | 0.056 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.1 | 164.9 | -170 | 168.2 | -112.1 | 0 | 0 | 108.3 | W139 S157 G158 R184 V185 | W139-E170 WeakPolarHBondContact CH2-O 3.33Å; W139-E170 HydrophobicContact CZ2-CB 3.81Å; W139-E170 HydrophobicContact CZ2-CG 3.97Å; W139-E170 PolarHBondContact NE1-OE2 2.8Å; S157-E170 WeakPolarHBondContact CA-O 3.45Å; G158-E170 PolarHBondContact N-O 2.81Å; G158-E170 PolarHBondContact O-N 2.9Å; E170-R184 HydrophobicContact CG-CB 4.21Å; E170-R184 IonicContact OE1-NH1 2.72Å; E170-R184 WeakPolarHBondContact OE2-CD 3.26Å; E170-R184 IonicContact OE2-CZ 3.65Å; E170-R184 IonicContact OE2-NE 3.97Å; E170-R184 IonicContact OE2-NH1 3.39Å; E170-R184 PolarHBondContact OE2-NH1 3.27Å; E170-V185 CarbonylContact C-O 3.5Å; E170-V185 WeakPolarHBondContact CA-O 3.46Å |
| 171 | I | 93.9 | Very high | 87.7 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127 | 175.2 | -60.2 | 170.1 | 0 | 0 | 0 | 106.8 | L155 V156 R184 V185 N187 F193 L202 | L155-I171 HydrophobicContact CD1-CG2 3.89Å; L155-I171 HydrophobicContact CD2-CG2 3.95Å; L155-I171 HydrophobicContact CG-CG2 3.53Å; V156-I171 CarbonylContact O-C 3.57Å; V156-I171 WeakPolarHBondContact O-CA 3.42Å; I171-R184 CarbonylContact O-C 3.54Å; I171-R184 WeakPolarHBondContact O-CA 3.44Å; I171-V185 HydrophobicContact CB-CB 4.36Å; I171-V185 PolarHBondContact N-O 3.19Å; I171-V185 PolarHBondContact O-N 3.17Å; I171-N187 HydrophobicContact CD1-CB 4.2Å; I171-N187 HydrophobicContact CG1-CB 4.2Å; I171-F193 WeakPolarHBondContact CD1-O 3.45Å; I171-F193 WeakPolarHBondContact CG1-O 3.42Å; I171-L202 HydrophobicContact CD1-CD1 4.33Å |
| 172 | A | 94.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | M134 W139 V156 L181 S183 R184 | M134-A172 HydrophobicContact CE-CB 3.5Å; W139-A172 HydrophobicContact CH2-CB 3.81Å; W139-A172 HydrophobicContact CZ2-CB 3.97Å; V156-A172 PolarHBondContact N-O 3.35Å; V156-A172 PolarHBondContact O-N 3.09Å; A172-L181 HydrophobicContact CB-CD1 3.54Å; A172-S183 WeakPolarHBondContact CA-O 3.44Å; A172-R184 HydrophobicContact CB-CG 4.44Å |
| 173 | V | 95 | Very high | 88.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.8 | 170 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | L153 L154 L182 S183 W196 L202 A224 | L153-V173 HydrophobicContact CB-CG1 4.27Å; L153-V173 HydrophobicContact CD1-CG1 4.18Å; L154-V173 CarbonylContact O-C 3.58Å; L154-V173 WeakPolarHBondContact O-CA 3.28Å; V173-L182 HydrophobicContact CG1-CB 4.48Å; V173-L182 HydrophobicContact CG1-CD1 4.42Å; V173-L182 PolarHBondContact O-N 2.9Å; V173-S183 WeakPolarHBondContact CB-OG 3.15Å; V173-S183 WeakPolarHBondContact CG2-OG 3.44Å; V173-S183 PolarHBondContact N-O 2.68Å; V173-W196 HydrophobicContact CG1-CH2 3.97Å; V173-W196 HydrophobicContact CG1-CZ2 4.26Å; V173-W196 HydrophobicContact CG2-CH2 4.34Å; V173-L202 HydrophobicContact CG2-CD2 3.34Å; V173-A224 HydrophobicContact CG1-CB 4.27Å |
| 174 | I | 94.7 | Very high | 88.7 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.8 | -177.2 | -58.9 | 173.6 | 0 | 0 | 0 | 108.9 | V114 L153 L154 V156 T180 L181 | V114-I174 HydrophobicContact CG1-CD1 4.11Å; L153-I174 WeakPolarHBondContact CA-O 3.26Å; L154-I174 HydrophobicContact CB-CB 4.44Å; L154-I174 PolarHBondContact N-O 2.86Å; L154-I174 PolarHBondContact O-N 3.02Å; V156-I174 HydrophobicContact CG2-CD1 3.91Å; I174-T180 CarbonylContact C-O 3.55Å; I174-T180 WeakPolarHBondContact CA-O 3.21Å; I174-L181 HydrophobicContact CG1-CD1 4.35Å |
| 175 | S | 94.8 | Very high | 89.3 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 8% | 0.077 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 131.5 | 170.3 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | D177 N178 Y179 T180 | S175-D177 PolarHBondContact OG-N 2.59Å; S175-N178 VanDerWaalsContact CB-OD1 3.23Å; S175-N178 WeakPolarHBondContact CB-OD1 3.3Å; S175-N178 PolarHBondContact OG-OD1 3.41Å; S175-Y179 WeakPolarHBondContact O-CA 3.5Å; S175-Y179 PolarHBondContact O-N 3.28Å; S175-T180 PolarHBondContact N-O 2.72Å |
| 176 | L | 95.1 | Very high | 90.1 | Very high | 9 Ų | 9 | 41 Ų | 41 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -7.8 | 178.1 | -67 | 170.6 | 0 | 0 | 0 | 113.8 | L116 F147 D151 T152 L154 | L116-L176 HydrophobicContact CD1-CD2 3.9Å; L116-L176 HydrophobicContact CG-CD2 4.21Å; F147-L176 HydrophobicContact CD1-CD1 3.46Å; F147-L176 VanDerWaalsContact CD1-CD1 3.46Å; F147-L176 HydrophobicContact CE1-CD1 3.43Å; F147-L176 VanDerWaalsContact CE1-CD1 3.43Å; F147-L176 HydrophobicContact CE1-CD2 4.35Å; D151-L176 WeakPolarHBondContact O-CD1 3.46Å; T152-L176 WeakPolarHBondContact O-CB 3.3Å; T152-L176 PolarHBondContact O-N 2.86Å; L154-L176 HydrophobicContact CB-CD1 4.4Å; L154-L176 HydrophobicContact CB-CD2 4.01Å; L154-L176 HydrophobicContact CB-CG 4.25Å |
| 177 | D | 93.1 | Very high | 90.4 | Very high | 140 Ų | 140 | 38.3 Ų | 38.3 | 75% | 0.749 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -41.7 | 176.6 | -68.1 | -21.8 | 0 | 0 | 0 | 111.5 | S175 | S175-D177 PolarHBondContact OG-N 2.59Š|
| 178 | N | 92.1 | Very high | 90.4 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 50% | 0.497 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -134.5 | 6.2 | -174.4 | 61.3 | -0.4 | 0 | 0 | 0 | 113.8 | S175 T180 | S175-N178 VanDerWaalsContact CB-OD1 3.23Å; S175-N178 WeakPolarHBondContact CB-OD1 3.3Å; S175-N178 PolarHBondContact OG-OD1 3.41Å; N178-T180 HydrophobicContact CB-CG2 4.28Å; N178-T180 PolarHBondContact O-N 3.24Å; N178-T180 PolarHBondContact OD1-N 3.22Å; N178-T180 PolarHBondContact OD1-OG1 3.06Å |
| 179 | Y | 93.8 | Very high | 90.1 | Very high | 61 Ų | 61 | 42 Ų | 42 | 24% | 0.239 | 20% | 0.201 | C | C | . | . | trans | 60 | 26.2 | 178.7 | -47.3 | -70.7 | 0 | 0 | 0 | 114.4 | R104 V129 H130 S175 | R104-Y179 PolarHBondContact NH1-OH 2.91Å; V129-Y179 VanDerWaalsContact CG1-OH 3.26Å; V129-Y179 WeakPolarHBondContact CG1-OH 3.2Å; H130-Y179 HydrophobicContact CB-CD1 3.85Å; H130-Y179 HydrophobicContact CB-CD2 4.39Å; H130-Y179 HydrophobicContact CB-CE1 3.83Å; H130-Y179 HydrophobicContact CB-CE2 4.37Å; H130-Y179 HydrophobicContact CB-CG 4.14Å; H130-Y179 AromaticContact CD2-CD1 3.87Å; H130-Y179 AromaticContact CD2-CG 3.88Å; H130-Y179 VanDerWaalsContact CE1-CB 3.49Å; H130-Y179 WeakPolarHBondContact CE1-CB 3.36Å; H130-Y179 AromaticContact CE1-CG 3.87Å; H130-Y179 AromaticContact CG-CD1 3.66Å; H130-Y179 AromaticContact CG-CG 3.58Å; H130-Y179 AromaticContact ND1-CD2 3.71Å; H130-Y179 AromaticContact ND1-CG 3.58Å; S175-Y179 WeakPolarHBondContact O-CA 3.5Å; S175-Y179 PolarHBondContact O-N 3.28Å | ||
| 180 | T | 91.3 | Very high | 89.6 | Confident | 59 Ų | 59 | 42.7 Ų | 42.7 | 36% | 0.362 | 20% | 0.203 | S | C | . | . | trans | -87.6 | 143.9 | 178.8 | 63.2 | 0 | 0 | 0 | 0 | 111.9 | I174 S175 N178 L182 | I174-T180 CarbonylContact C-O 3.55Å; I174-T180 WeakPolarHBondContact CA-O 3.21Å; S175-T180 PolarHBondContact N-O 2.72Å; N178-T180 HydrophobicContact CB-CG2 4.28Å; N178-T180 PolarHBondContact O-N 3.24Å; N178-T180 PolarHBondContact OD1-N 3.22Å; N178-T180 PolarHBondContact OD1-OG1 3.06Å; T180-L182 PolarHBondContact O-N 3.26Å | ||
| 181 | L | 90.7 | Very high | 88.9 | Confident | 57 Ų | 57 | 42.2 Ų | 42.2 | 30% | 0.298 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 120.6 | 169.9 | 178.2 | 70.4 | 0 | 0 | 0 | 109.5 | F137 A172 I174 R184 | F137-L181 HydrophobicContact CD1-CD2 4.35Å; F137-L181 HydrophobicContact CD2-CD2 4.46Å; F137-L181 HydrophobicContact CE1-CD2 3.7Å; F137-L181 HydrophobicContact CE2-CD2 3.82Å; F137-L181 HydrophobicContact CZ-CD2 3.39Å; A172-L181 HydrophobicContact CB-CD1 3.54Å; I174-L181 HydrophobicContact CG1-CD1 4.35Å; L181-R184 HydrophobicContact CD1-CG 4.02Å; L181-R184 HydrophobicContact CD2-CG 3.95Å; L181-R184 HydrophobicContact CG-CG 4.38Å |
| 182 | L | 89.1 | Confident | 88.4 | Confident | 65 Ų | 65 | 42.3 Ų | 42.3 | 34% | 0.34 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -43.8 | -178.9 | -60.6 | -176.1 | 0 | 0 | 0 | 113 | L153 V173 T180 | L153-L182 HydrophobicContact CD2-CD1 3.53Å; V173-L182 HydrophobicContact CG1-CB 4.48Å; V173-L182 HydrophobicContact CG1-CD1 4.42Å; V173-L182 PolarHBondContact O-N 2.9Å; T180-L182 PolarHBondContact O-N 3.26Å |
| 183 | S | 88.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.8 | -177.5 | 66.7 | 0 | 0 | 0 | 0 | 112.2 | A172 V173 A224 | A172-S183 WeakPolarHBondContact CA-O 3.44Å; V173-S183 WeakPolarHBondContact CB-OG 3.15Å; V173-S183 WeakPolarHBondContact CG2-OG 3.44Å; V173-S183 PolarHBondContact N-O 2.68Å; S183-A224 WeakPolarHBondContact CB-O 3.41Å; S183-A224 PolarHBondContact OG-O 3.16Å |
| 184 | R | 89.7 | Confident | 88 | Confident | 92 Ų | 92 | 42.8 Ų | 42.8 | 35% | 0.347 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 133.6 | 172.2 | -66.4 | -170.7 | -64.5 | 152.7 | -7.5 | 111.2 | E170 I171 A172 L181 N234 | E170-R184 HydrophobicContact CG-CB 4.21Å; E170-R184 IonicContact OE1-NH1 2.72Å; E170-R184 WeakPolarHBondContact OE2-CD 3.26Å; E170-R184 IonicContact OE2-CZ 3.65Å; E170-R184 IonicContact OE2-NE 3.97Å; E170-R184 IonicContact OE2-NH1 3.39Å; E170-R184 PolarHBondContact OE2-NH1 3.27Å; I171-R184 CarbonylContact O-C 3.54Å; I171-R184 WeakPolarHBondContact O-CA 3.44Å; A172-R184 HydrophobicContact CB-CG 4.44Å; L181-R184 HydrophobicContact CD1-CG 4.02Å; L181-R184 HydrophobicContact CD2-CG 3.95Å; L181-R184 HydrophobicContact CG-CG 4.38Å; R184-N234 PolarHBondContact O-ND2 3.49Å |
| 185 | V | 88.2 | Confident | 88 | Confident | 5 Ų | 5 | 42.5 Ų | 42.5 | 3% | 0.03 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 124 | -177.4 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | E170 I171 L202 N222 | E170-V185 CarbonylContact C-O 3.5Å; E170-V185 WeakPolarHBondContact CA-O 3.46Å; I171-V185 HydrophobicContact CB-CB 4.36Å; I171-V185 PolarHBondContact N-O 3.19Å; I171-V185 PolarHBondContact O-N 3.17Å; V185-L202 HydrophobicContact CG2-CD1 4.47Å; V185-N222 WeakPolarHBondContact CG1-OD1 3.47Å; V185-N222 HydrophobicContact CG2-CB 4.36Å |
| 186 | R | 83.5 | Confident | 88.1 | Confident | 149 Ų | 149 | 42.5 Ų | 42.5 | 56% | 0.562 | 20% | 0.201 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.1 | 173.3 | -76.7 | -168.4 | 175.1 | 155.2 | -1.2 | 110.8 | ||
| 187 | N | 82.9 | Confident | 88.1 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 124.7 | 179.9 | -157.7 | 14.3 | 0 | 0 | 0 | 107.1 | G169 I171 P189 V192 F193 G194 G205 | G169-N187 CarbonylContact C-O 3.53Å; G169-N187 VanDerWaalsContact C-O 3.25Å; G169-N187 WeakPolarHBondContact CA-O 3.48Å; G169-N187 PolarHBondContact N-O 2.79Å; G169-N187 PolarHBondContact O-N 3.37Å; I171-N187 HydrophobicContact CD1-CB 4.2Å; I171-N187 HydrophobicContact CG1-CB 4.2Å; N187-P189 CarbonylContact C-O 3.6Å; N187-V192 WeakPolarHBondContact ND2-CB 3Å; N187-V192 WeakPolarHBondContact OD1-CB 3.49Å; N187-V192 WeakPolarHBondContact OD1-CG1 3.48Å; N187-F193 VanDerWaalsContact ND2-C 3.31Å; N187-F193 PolarHBondContact ND2-N 3.31Å; N187-F193 PolarHBondContact ND2-O 3.35Å; N187-G194 PolarHBondContact ND2-N 3.03Å; N187-G205 WeakPolarHBondContact OD1-CA 3.28Å; N187-G205 PolarHBondContact OD1-N 3.21Å; N187-G205 PolarHBondContact OD1-O 2.77Å |
| 188 | K | 82.2 | Confident | 88 | Confident | 103 Ų | 103 | 36.9 Ų | 36.9 | 45% | 0.448 | 17% | 0.171 | S | C | . | . | B | Isolated β-bridge | trans | -139.9 | 122.8 | -173.9 | -172.5 | 173.9 | -179.3 | 173.9 | 0 | 110.4 | G205 N206 L207 | K188-G205 PolarHBondContact N-O 3.34Å; K188-N206 CarbonylContact O-C 3.57Å; K188-N206 WeakPolarHBondContact O-CA 3.35Å; K188-L207 WeakPolarHBondContact O-CB 3.44Å; K188-L207 PolarHBondContact O-N 2.88Å |
| 189 | P | 78.1 | Confident | 88 | Confident | 10 Ų | 10 | 37 Ų | 37 | 7% | 0.065 | 17% | 0.168 | C | C | . | . | S | Bend | cis | -65.9 | 171.3 | -3.1 | 25.8 | -34.5 | 0 | 0 | 0 | 114.3 | N187 D191 V192 L207 | N187-P189 CarbonylContact C-O 3.6Å; P189-D191 WeakPolarHBondContact CB-OD1 3.37Å; P189-D191 WeakPolarHBondContact CG-OD1 3.27Å; P189-D191 PolarHBondContact O-N 2.9Å; P189-V192 HydrophobicContact CG-CG2 4.47Å; P189-L207 VanDerWaalsContact CD-CB 3.44Å; P189-L207 HydrophobicContact CG-CD2 4.5Å |
| 190 | Y | 78.8 | Confident | 87.9 | Confident | 16 Ų | 16 | 36.4 Ų | 36.4 | 6% | 0.063 | 17% | 0.172 | C | C | . | . | G | 310 helix | trans | -67.9 | -16.7 | -174.5 | 54.3 | -100.2 | 0 | 0 | 0 | 114.4 | Q143 V159 G169 | Q143-Y190 PolarHBondContact OE1-O 2.78Å; V159-Y190 HydrophobicContact CG2-CD2 4.16Å; V159-Y190 HydrophobicContact CG2-CG 4.14Å; G169-Y190 VanDerWaalsContact CA-CA 3.49Å |
| 191 | D | 77.1 | Confident | 88 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.011 | 16% | 0.157 | C | C | . | . | G | 310 helix | trans | -89.9 | 7.6 | -175.8 | 53.6 | 6.3 | 0 | 0 | 0 | 114.3 | P189 F193 R251 T252 F508 | P189-D191 WeakPolarHBondContact CB-OD1 3.37Å; P189-D191 WeakPolarHBondContact CG-OD1 3.27Å; P189-D191 PolarHBondContact O-N 2.9Å; D191-F193 VanDerWaalsContact C-N 3.31Å; D191-R251 WeakPolarHBondContact OD2-CD 3.39Å; D191-R251 IonicContact OD2-CZ 3.51Å; D191-R251 IonicContact OD2-NE 3.11Å; D191-R251 PolarHBondContact OD2-NE 3.26Å; D191-R251 IonicContact OD2-NH1 2.89Å; D191-R251 PolarHBondContact OD2-NH1 3.09Å; D191-R251 IonicContact OD2-NH2 2.78Å; D191-T252 PolarHBondContact O-N 3.14Å; D191-F508 HydrophobicContact CB-CE2 4.16Å; D191-F508 HydrophobicContact CB-CZ 4Å |
| 192 | V | 83.9 | Confident | 88.1 | Confident | 3 Ų | 3 | 31.6 Ų | 31.6 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | G | 310 helix | trans | -73.7 | -27.1 | 168.4 | 176.1 | 0 | 0 | 0 | 0 | 111.2 | N187 P189 G194 I250 V253 | N187-V192 WeakPolarHBondContact ND2-CB 3Å; N187-V192 WeakPolarHBondContact OD1-CB 3.49Å; N187-V192 WeakPolarHBondContact OD1-CG1 3.48Å; P189-V192 HydrophobicContact CG-CG2 4.47Å; V192-G194 PolarHBondContact O-N 2.71Å; V192-I250 WeakPolarHBondContact CG2-O 3.34Å; V192-V253 HydrophobicContact CG1-CG2 3.87Å |
| 193 | F | 87.8 | Confident | 88.4 | Confident | 8 Ų | 8 | 28.5 Ų | 28.5 | 4% | 0.035 | 13% | 0.127 | C | C | . | . | trans | 57.6 | -46.3 | -174.8 | -52.4 | -46.7 | 0 | 0 | 0 | 116 | Q143 F144 S157 I171 N187 D191 F508 F510 | Q143-F193 HydrophobicContact CB-CD1 4.4Å; Q143-F193 HydrophobicContact CB-CE1 4.08Å; F144-F193 HydrophobicContact CB-CB 4.15Å; F144-F193 HydrophobicContact CB-CD1 4.03Å; F144-F193 HydrophobicContact CB-CG 4Å; F144-F193 HydrophobicContact CD1-CB 3.89Å; F144-F193 HydrophobicContact CG-CB 4.03Å; F144-F193 HydrophobicContact CG-CG 4.22Å; S157-F193 WeakPolarHBondContact CB-O 3.26Å; I171-F193 WeakPolarHBondContact CD1-O 3.45Å; I171-F193 WeakPolarHBondContact CG1-O 3.42Å; N187-F193 VanDerWaalsContact ND2-C 3.31Å; N187-F193 PolarHBondContact ND2-N 3.31Å; N187-F193 PolarHBondContact ND2-O 3.35Å; D191-F193 VanDerWaalsContact C-N 3.31Å; F193-F508 HydrophobicContact CE2-CD1 4.17Å; F193-F508 HydrophobicContact CE2-CD2 4.16Å; F193-F508 HydrophobicContact CE2-CE1 4.02Å; F193-F508 HydrophobicContact CE2-CE2 4.01Å; F193-F508 HydrophobicContact CE2-CG 4.23Å; F193-F508 AromaticContact CE2-CZ 3.93Å; F193-F508 HydrophobicContact CE2-CZ 3.93Å; F193-F508 AromaticContact CZ-CD2 3.68Å; F193-F508 HydrophobicContact CZ-CD2 3.68Å; F193-F508 HydrophobicContact CZ-CE1 4.36Å; F193-F508 AromaticContact CZ-CE2 3.51Å; F193-F508 HydrophobicContact CZ-CE2 3.51Å; F193-F508 HydrophobicContact CZ-CG 4.18Å; F193-F508 AromaticContact CZ-CZ 3.88Å; F193-F508 HydrophobicContact CZ-CZ 3.88Å; F193-F510 HydrophobicContact CE2-CE1 4.21Å; F193-F510 AromaticContact CE2-CZ 3.97Å; F193-F510 HydrophobicContact CE2-CZ 3.97Å; F193-F510 HydrophobicContact CZ-CZ 4.22Å | ||
| 194 | G | 92.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.01 | 13% | 0.127 | C | C | . | . | trans | 86.4 | 164.3 | -172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N187 V192 I203 | N187-G194 PolarHBondContact ND2-N 3.03Å; V192-G194 PolarHBondContact O-N 2.71Å; G194-I203 WeakPolarHBondContact CA-O 3.37Å | ||
| 195 | C | 95.7 | Very high | 88.6 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.014 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 159.7 | 179.2 | 68.3 | 0 | 0 | 0 | 0 | 111.6 | L202 I203 V253 | C195-L202 CarbonylContact O-C 3.57Å; C195-L202 WeakPolarHBondContact O-CA 3.19Å; C195-I203 PolarHBondContact N-O 3.46Å; C195-I203 PolarHBondContact O-N 3.05Å; C195-V253 WeakPolarHBondContact CB-O 3.2Å |
| 196 | W | 96.7 | Very high | 88.6 | Confident | 10 Ų | 10 | 26 Ų | 26 | 4% | 0.038 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 139.5 | 169.6 | -69.2 | 107.7 | 0 | 0 | 0 | 111.4 | Q146 N148 L153 L155 V173 L202 A224 | Q146-W196 PolarHBondContact O-NE1 2.81Å; N148-W196 HydrophobicContact CB-CD2 3.62Å; N148-W196 HydrophobicContact CB-CE3 3.98Å; N148-W196 HydrophobicContact CB-CG 4.03Å; N148-W196 HydrophobicContact CB-CH2 4.25Å; N148-W196 HydrophobicContact CB-CZ2 3.91Å; N148-W196 HydrophobicContact CB-CZ3 4.28Å; L153-W196 HydrophobicContact CB-CH2 4.08Å; L153-W196 HydrophobicContact CB-CZ2 3.96Å; L153-W196 HydrophobicContact CD1-CH2 3.91Å; L155-W196 HydrophobicContact CB-CZ2 3.84Å; V173-W196 HydrophobicContact CG1-CH2 3.97Å; V173-W196 HydrophobicContact CG1-CZ2 4.26Å; V173-W196 HydrophobicContact CG2-CH2 4.34Å; W196-L202 HydrophobicContact CD2-CB 4.39Å; W196-L202 HydrophobicContact CE3-CB 3.93Å; W196-L202 HydrophobicContact CH2-CD2 4.29Å; W196-L202 HydrophobicContact CZ3-CB 4.09Å; W196-L202 HydrophobicContact CZ3-CD2 4.38Å; W196-A224 HydrophobicContact CH2-CB 3.72Å; W196-A224 HydrophobicContact CZ3-CB 3.75Å |
| 197 | L | 94.7 | Very high | 88.7 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -95.7 | -41 | 165.8 | 176.7 | 62.3 | 0 | 0 | 0 | 111.3 | H201 I203 L221 V255 H257 T383 I404 M409 | L197-H201 PolarHBondContact N-O 2.87Å; L197-I203 HydrophobicContact CB-CD1 4.22Å; L197-I203 HydrophobicContact CB-CG1 4.23Å; L197-I203 HydrophobicContact CD1-CD1 4.42Å; L197-L221 HydrophobicContact CB-CD1 4.25Å; L197-L221 HydrophobicContact CD2-CD1 3.48Å; L197-L221 VanDerWaalsContact CD2-CD1 3.48Å; L197-L221 HydrophobicContact CD2-CD2 4.48Å; L197-V255 HydrophobicContact CD1-CG1 3.97Å; L197-V255 HydrophobicContact CD1-CG2 4Å; L197-H257 PolarHBondContact O-CE1 3.02Å; L197-H257 PolarHBondContact O-NE2 2.84Å; L197-T383 HydrophobicContact CD1-CG2 4.24Å; L197-I404 HydrophobicContact CD1-CD1 3.51Å; L197-M409 HydrophobicContact CD2-CB 4.1Å; L197-M409 HydrophobicContact CD2-CG 4.2Å |
| 198 | N | 91.8 | Very high | 88.7 | Confident | 28 Ų | 28 | 23.6 Ų | 23.6 | 15% | 0.15 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -153.5 | -170.8 | 179.4 | 62.1 | 46.7 | 0 | 0 | 0 | 109.3 | T200 H201 M409 | N198-T200 PolarHBondContact O-N 2.66Å; N198-T200 VanDerWaalsContact O-N 3.14Å; N198-T200 PolarHBondContact OD1-N 3.39Å; N198-T200 PolarHBondContact OD1-OG1 3.48Å; N198-T200 VanDerWaalsContact OD1-OG1 3.14Å; N198-H201 PolarHBondContact N-O 2.75Å; N198-H201 WeakPolarHBondContact OD1-CB 3.39Å; N198-H201 PolarHBondContact OD1-N 2.72Å; N198-H201 PolarHBondContact OD1-ND1 2.75Å; N198-M409 PolarHBondContact ND2-O 3.32Å |
| 199 | E | 92.1 | Very high | 88.4 | Confident | 95 Ų | 95 | 21.8 Ų | 21.8 | 44% | 0.444 | 11% | 0.107 | S | C | . | . | S | Bend | trans | -57.5 | -28.8 | -176.4 | -58.6 | 78 | -171.4 | 0 | 0 | 113 | N148 P149 D150 | N148-E199 PolarHBondContact ND2-O 3.04Å; P149-E199 HydrophobicContact CB-CG 4.24Å; D150-E199 HydrophobicContact CB-CG 4.38Å |
| 200 | T | 90.9 | Very high | 88.4 | Confident | 50 Ų | 50 | 24.9 Ų | 24.9 | 31% | 0.307 | 12% | 0.122 | S | C | . | . | S | Bend | trans | -124.7 | -8.5 | -167.6 | 56.8 | 0 | 0 | 0 | 0 | 114.2 | N198 A224 F225 | N198-T200 PolarHBondContact O-N 2.66Å; N198-T200 VanDerWaalsContact O-N 3.14Å; N198-T200 PolarHBondContact OD1-N 3.39Å; N198-T200 PolarHBondContact OD1-OG1 3.48Å; N198-T200 VanDerWaalsContact OD1-OG1 3.14Å; T200-A224 VanDerWaalsContact O-CB 3.26Å; T200-A224 WeakPolarHBondContact O-CB 3.26Å; T200-A224 PolarHBondContact O-N 3.21Å; T200-F225 HydrophobicContact CG2-CE1 3.79Å; T200-F225 HydrophobicContact CG2-CZ 4.45Å |
| 201 | H | 92.6 | Very high | 87.9 | Confident | 14 Ų | 14 | 25 Ų | 25 | 7% | 0.065 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 137.4 | -175.8 | -63 | 76.6 | 0 | 0 | 0 | 112.2 | L197 N198 L221 N222 T411 | L197-H201 PolarHBondContact N-O 2.87Å; N198-H201 PolarHBondContact N-O 2.75Å; N198-H201 WeakPolarHBondContact OD1-CB 3.39Å; N198-H201 PolarHBondContact OD1-N 2.72Å; N198-H201 PolarHBondContact OD1-ND1 2.75Å; H201-L221 HydrophobicContact CB-CD1 3.71Å; H201-L221 HydrophobicContact CB-CG 4.27Å; H201-N222 CarbonylContact C-O 3.57Å; H201-N222 VanDerWaalsContact CA-O 3.22Å; H201-N222 WeakPolarHBondContact CA-O 3.48Å; H201-T411 PolarHBondContact NE2-OG1 2.82Å |
| 202 | L | 94.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 154.2 | 176.6 | 68.1 | 89.2 | 0 | 0 | 0 | 111.4 | L155 I171 V173 V185 C195 W196 N222 | L155-L202 HydrophobicContact CD1-CB 4.01Å; L155-L202 HydrophobicContact CD1-CD2 4.29Å; I171-L202 HydrophobicContact CD1-CD1 4.33Å; V173-L202 HydrophobicContact CG2-CD2 3.34Å; V185-L202 HydrophobicContact CG2-CD1 4.47Å; C195-L202 CarbonylContact O-C 3.57Å; C195-L202 WeakPolarHBondContact O-CA 3.19Å; W196-L202 HydrophobicContact CD2-CB 4.39Å; W196-L202 HydrophobicContact CE3-CB 3.93Å; W196-L202 HydrophobicContact CH2-CD2 4.29Å; W196-L202 HydrophobicContact CZ3-CB 4.09Å; W196-L202 HydrophobicContact CZ3-CD2 4.38Å; L202-N222 HydrophobicContact CD1-CB 3.89Å; L202-N222 HydrophobicContact CG-CB 4.07Å; L202-N222 PolarHBondContact N-O 2.78Å; L202-N222 PolarHBondContact O-N 3.32Å; L202-N222 PolarHBondContact O-ND2 2.92Å |
| 203 | I | 94.6 | Very high | 86.6 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 128.4 | 177.2 | -59.6 | 174.8 | 0 | 0 | 0 | 109.2 | G194 C195 L197 L219 W220 L221 L239 V253 V255 L385 I404 | G194-I203 WeakPolarHBondContact CA-O 3.37Å; C195-I203 PolarHBondContact N-O 3.46Å; C195-I203 PolarHBondContact O-N 3.05Å; L197-I203 HydrophobicContact CB-CD1 4.22Å; L197-I203 HydrophobicContact CB-CG1 4.23Å; L197-I203 HydrophobicContact CD1-CD1 4.42Å; I203-L219 HydrophobicContact CG2-CB 4.32Å; I203-W220 VanDerWaalsContact CA-O 3.27Å; I203-W220 WeakPolarHBondContact CA-O 3.25Å; I203-L221 HydrophobicContact CG1-CD1 4.28Å; I203-L239 HydrophobicContact CD1-CD2 3.83Å; I203-L239 HydrophobicContact CG1-CD2 4.29Å; I203-V253 HydrophobicContact CG2-CG1 4.33Å; I203-V255 HydrophobicContact CD1-CG2 3.92Å; I203-L385 HydrophobicContact CD1-CD1 3.59Å; I203-I404 HydrophobicContact CD1-CD1 4.18Å |
| 204 | S | 92.9 | Very high | 85.8 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 167.2 | 169.3 | 67.8 | 0 | 0 | 0 | 0 | 110.4 | L219 W220 N222 | S204-L219 CarbonylContact O-C 3.48Å; S204-L219 WeakPolarHBondContact O-CA 3.39Å; S204-W220 PolarHBondContact N-O 3.35Å; S204-W220 PolarHBondContact O-N 3.33Å; S204-N222 PolarHBondContact N-ND2 3.47Å; S204-N222 PolarHBondContact OG-ND2 3.49Å |
| 205 | G | 90.3 | Very high | 85.3 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 137.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N187 K188 V218 | N187-G205 WeakPolarHBondContact OD1-CA 3.28Å; N187-G205 PolarHBondContact OD1-N 3.21Å; N187-G205 PolarHBondContact OD1-O 2.77Å; K188-G205 PolarHBondContact N-O 3.34Å; G205-V218 CarbonylContact C-O 3.6Å; G205-V218 WeakPolarHBondContact CA-O 3.43Å |
| 206 | N | 87.5 | Confident | 84.9 | Confident | 43 Ų | 43 | 28.3 Ų | 28.3 | 23% | 0.23 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.7 | 177.1 | -71.6 | 3.4 | 0 | 0 | 0 | 111.2 | K188 S217 V218 | K188-N206 CarbonylContact O-C 3.57Å; K188-N206 WeakPolarHBondContact O-CA 3.35Å; N206-S217 CarbonylContact O-C 3.46Å; N206-S217 WeakPolarHBondContact O-CA 3.22Å; N206-V218 PolarHBondContact N-O 2.92Å; N206-V218 PolarHBondContact O-N 3.28Å |
| 207 | L | 85.8 | Confident | 84.5 | Confident | 16 Ų | 16 | 28.1 Ų | 28.1 | 8% | 0.084 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 126.8 | 174 | -174.1 | 75.7 | 0 | 0 | 0 | 109.6 | K188 P189 W209 S215 C216 N244 T249 | K188-L207 WeakPolarHBondContact O-CB 3.44Å; K188-L207 PolarHBondContact O-N 2.88Å; P189-L207 VanDerWaalsContact CD-CB 3.44Å; P189-L207 HydrophobicContact CG-CD2 4.5Å; L207-W209 HydrophobicContact CD2-CZ2 4.02Å; L207-S215 WeakPolarHBondContact CD1-OG 3.36Å; L207-C216 CarbonylContact C-O 3.53Å; L207-C216 WeakPolarHBondContact CA-O 3.37Å; L207-N244 WeakPolarHBondContact CD1-ND2 3.39Å; L207-T249 HydrophobicContact CD1-CG2 3.93Å; L207-T249 HydrophobicContact CD2-CG2 3.58Å; L207-T249 HydrophobicContact CG-CG2 4.4Å |
| 208 | H | 83.3 | Confident | 84.3 | Confident | 85 Ų | 85 | 28.4 Ų | 28.4 | 39% | 0.394 | 15% | 0.148 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 120.8 | 175.4 | -61.6 | -84.8 | 0 | 0 | 0 | 109.4 | S215 C216 | H208-S215 CarbonylContact O-C 3.6Å; H208-S215 VanDerWaalsContact O-CA 3.23Å; H208-S215 WeakPolarHBondContact O-CA 3.39Å; H208-S215 WeakPolarHBondContact O-CB 3.14Å; H208-C216 PolarHBondContact N-O 3.05Å; H208-C216 PolarHBondContact O-N 3.25Å |
| 209 | W | 75.9 | Confident | 84.3 | Confident | 66 Ų | 66 | 27.1 Ų | 27.1 | 25% | 0.25 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128 | 172 | -67.4 | 96.7 | 0 | 0 | 0 | 109.5 | L207 A247 G332 V336 | L207-W209 HydrophobicContact CD2-CZ2 4.02Å; W209-A247 HydrophobicContact CH2-CB 3.81Å; W209-A247 HydrophobicContact CZ3-CB 4.08Å; W209-G332 WeakPolarHBondContact CZ2-O 3.25Å; W209-V336 HydrophobicContact CE3-CG2 3.97Å; W209-V336 HydrophobicContact CH2-CG2 3.18Å; W209-V336 HydrophobicContact CZ2-CG2 3.79Å; W209-V336 HydrophobicContact CZ3-CG2 3.27Å |
| 210 | I | 77 | Confident | 84.2 | Confident | 74 Ų | 74 | 25.9 Ų | 25.9 | 38% | 0.379 | 13% | 0.132 | S | C | . | . | trans | -105.5 | -27.5 | 177.9 | -57.2 | 171.7 | 0 | 0 | 0 | 110.1 | T214 C216 F425 F426 | I210-T214 PolarHBondContact N-O 3.06Å; I210-C216 HydrophobicContact CD1-CB 3.91Å; I210-F425 HydrophobicContact CD1-CE1 4.2Å; I210-F426 HydrophobicContact CD1-CE1 4.15Å; I210-F426 HydrophobicContact CD1-CZ 3.7Å | ||
| 211 | G | 69.3 | Low | 84.2 | Confident | 19 Ų | 19 | 23.5 Ų | 23.5 | 20% | 0.196 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -159.4 | -170.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | M213 T214 | G211-M213 PolarHBondContact O-N 2.79Å; G211-T214 PolarHBondContact N-O 3.37Å; G211-T214 PolarHBondContact N-OG1 3.21Å |
| 212 | N | 64.4 | Low | 84.1 | Confident | 16 Ų | 16 | 23 Ų | 23 | 9% | 0.086 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -59.3 | -35.7 | -173.5 | -86.6 | -18.5 | 0 | 0 | 0 | 115.8 | V336 S339 V343 E351 | N212-V336 VanDerWaalsContact O-CG1 3.3Å; N212-V336 WeakPolarHBondContact O-CG1 3.36Å; N212-V336 WeakPolarHBondContact O-CG2 3.38Å; N212-S339 WeakPolarHBondContact OD1-CB 3.33Å; N212-V343 WeakPolarHBondContact ND2-CG2 3.28Å; N212-E351 WeakPolarHBondContact CB-OE2 3.29Å; N212-E351 PolarHBondContact ND2-OE1 3.31Å; N212-E351 PolarHBondContact ND2-OE2 2.52Å |
| 213 | M | 68.4 | Low | 83.8 | Confident | 40 Ų | 40 | 24.6 Ų | 24.6 | 20% | 0.197 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -129.3 | 6.9 | -179.8 | -66.1 | -174.2 | 65.3 | 0 | 0 | 113.3 | G211 N246 A247 V336 R340 P467 M468 | G211-M213 PolarHBondContact O-N 2.79Å; M213-N246 PolarHBondContact O-N 3.49Å; M213-A247 PolarHBondContact O-N 3.07Å; M213-V336 HydrophobicContact CG-CG1 4.48Å; M213-R340 PolarHBondContact SD-NH2 3.49Å; M213-P467 HydrophobicContact CE-CB 3.76Å; M213-P467 HydrophobicContact CE-CG 3.78Å; M213-M468 HydrophobicContact CE-CG 4.3Å |
| 214 | T | 71.8 | Confident | 83.4 | Confident | 26 Ų | 26 | 24.6 Ų | 24.6 | 16% | 0.16 | 12% | 0.122 | C | C | . | . | trans | -117.2 | 122.3 | -179.1 | 52.9 | 0 | 0 | 0 | 0 | 108.8 | I210 G211 A355 | I210-T214 PolarHBondContact N-O 3.06Å; G211-T214 PolarHBondContact N-O 3.37Å; G211-T214 PolarHBondContact N-OG1 3.21Å; T214-A355 HydrophobicContact CG2-CB 4.09Å | ||
| 215 | S | 81.5 | Confident | 82.7 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 171.3 | 175.3 | 64.5 | 0 | 0 | 0 | 0 | 109.4 | L207 H208 N244 S248 | L207-S215 WeakPolarHBondContact CD1-OG 3.36Å; H208-S215 CarbonylContact O-C 3.6Å; H208-S215 VanDerWaalsContact O-CA 3.23Å; H208-S215 WeakPolarHBondContact O-CA 3.39Å; H208-S215 WeakPolarHBondContact O-CB 3.14Å; S215-N244 PolarHBondContact N-O 3.39Å; S215-N244 PolarHBondContact O-N 3.47Å; S215-N244 VanDerWaalsContact O-O 3.1Å; S215-N244 WeakPolarHBondContact OG-CB 3.36Å; S215-N244 PolarHBondContact OG-ND2 3.01Å; S215-S248 PolarHBondContact OG-O 3.04Å |
| 216 | C | 86.3 | Confident | 81.4 | Confident | 4 Ų | 4 | 31.7 Ų | 31.7 | 3% | 0.027 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.3 | 167.5 | 67.4 | 0 | 0 | 0 | 0 | 110.6 | L207 H208 I210 I242 F426 | L207-C216 CarbonylContact C-O 3.53Å; L207-C216 WeakPolarHBondContact CA-O 3.37Å; H208-C216 PolarHBondContact N-O 3.05Å; H208-C216 PolarHBondContact O-N 3.25Å; I210-C216 HydrophobicContact CD1-CB 3.91Å; C216-I242 CarbonylContact C-O 3.58Å; C216-I242 WeakPolarHBondContact CA-O 3.42Å; C216-I242 VanDerWaalsContact CB-O 3.32Å; C216-I242 WeakPolarHBondContact CB-O 3.14Å; C216-F426 HydrophobicContact CB-CD1 4.33Å; C216-F426 HydrophobicContact CB-CE1 3.48Å; C216-F426 VanDerWaalsContact CB-CE1 3.48Å; C216-F426 HydrophobicContact CB-CZ 4.25Å |
| 217 | S | 89.4 | Confident | 79.9 | Confident | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.035 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.1 | 173.3 | -74.1 | 0 | 0 | 0 | 0 | 108.7 | N206 I242 N244 I250 | N206-S217 CarbonylContact O-C 3.46Å; N206-S217 WeakPolarHBondContact O-CA 3.22Å; S217-I242 PolarHBondContact N-O 2.99Å; S217-I242 PolarHBondContact O-N 3.14Å; S217-N244 PolarHBondContact N-ND2 3.42Å; S217-N244 PolarHBondContact OG-ND2 3.48Å; S217-I250 PolarHBondContact OG-N 2.86Å |
| 218 | V | 89.6 | Confident | 78.3 | Confident | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.055 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 118.8 | 175 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | G205 N206 W220 R238 F240 K241 | G205-V218 CarbonylContact C-O 3.6Å; G205-V218 WeakPolarHBondContact CA-O 3.43Å; N206-V218 PolarHBondContact N-O 2.92Å; N206-V218 PolarHBondContact O-N 3.28Å; V218-W220 HydrophobicContact CB-CZ2 4.41Å; V218-W220 HydrophobicContact CG1-CD2 4.18Å; V218-W220 VanDerWaalsContact CG1-CE2 3.45Å; V218-W220 HydrophobicContact CG1-CH2 4.43Å; V218-W220 HydrophobicContact CG1-CZ2 3.6Å; V218-R238 HydrophobicContact CG1-CG 3.81Å; V218-F240 WeakPolarHBondContact CA-O 3.32Å; V218-K241 HydrophobicContact CG2-CD 4.36Å; V218-K241 HydrophobicContact CG2-CG 4.02Å |
| 219 | L | 91.8 | Very high | 76.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 129 | 176.2 | -58.6 | 177.9 | 0 | 0 | 0 | 109 | I203 S204 L239 F240 I242 I250 V253 L385 | I203-L219 HydrophobicContact CG2-CB 4.32Å; S204-L219 CarbonylContact O-C 3.48Å; S204-L219 WeakPolarHBondContact O-CA 3.39Å; L219-L239 WeakPolarHBondContact O-CB 3.21Å; L219-L239 PolarHBondContact O-N 3.42Å; L219-F240 PolarHBondContact N-O 2.94Å; L219-F240 PolarHBondContact O-N 3.16Å; L219-I242 HydrophobicContact CD1-CD1 4.23Å; L219-I250 HydrophobicContact CD1-CD1 4.36Å; L219-I250 HydrophobicContact CD2-CG2 4.46Å; L219-V253 HydrophobicContact CD2-CG2 4.38Å; L219-L385 HydrophobicContact CD1-CD2 3.52Å |
| 220 | W | 90.6 | Very high | 75.2 | Confident | 69 Ų | 69 | 43.6 Ų | 43.6 | 26% | 0.261 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.5 | -174.7 | -59.8 | 89.7 | 0 | 0 | 0 | 109.8 | I203 S204 V218 N222 V236 R238 | I203-W220 VanDerWaalsContact CA-O 3.27Å; I203-W220 WeakPolarHBondContact CA-O 3.25Å; S204-W220 PolarHBondContact N-O 3.35Å; S204-W220 PolarHBondContact O-N 3.33Å; V218-W220 HydrophobicContact CB-CZ2 4.41Å; V218-W220 HydrophobicContact CG1-CD2 4.18Å; V218-W220 VanDerWaalsContact CG1-CE2 3.45Å; V218-W220 HydrophobicContact CG1-CH2 4.43Å; V218-W220 HydrophobicContact CG1-CZ2 3.6Å; W220-N222 PolarHBondContact O-ND2 3.14Å; W220-N222 VanDerWaalsContact O-ND2 3.09Å; W220-V236 HydrophobicContact CE3-CB 4.37Å; W220-V236 HydrophobicContact CE3-CG2 4.31Å; W220-R238 HydrophobicContact CE3-CB 4.1Å; W220-R238 HydrophobicContact CH2-CB 4.41Å; W220-R238 HydrophobicContact CZ3-CB 3.89Å |
| 221 | L | 91.4 | Very high | 73.6 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 123.6 | 167.2 | -173.8 | 67.6 | 0 | 0 | 0 | 108.4 | L197 H201 I203 V236 K237 T411 | L197-L221 HydrophobicContact CB-CD1 4.25Å; L197-L221 HydrophobicContact CD2-CD1 3.48Å; L197-L221 VanDerWaalsContact CD2-CD1 3.48Å; L197-L221 HydrophobicContact CD2-CD2 4.48Å; H201-L221 HydrophobicContact CB-CD1 3.71Å; H201-L221 HydrophobicContact CB-CG 4.27Å; I203-L221 HydrophobicContact CG1-CD1 4.28Å; L221-V236 CarbonylContact O-C 3.59Å; L221-V236 VanDerWaalsContact O-CA 3.27Å; L221-V236 WeakPolarHBondContact O-CA 3.47Å; L221-K237 PolarHBondContact N-O 3.4Å; L221-K237 PolarHBondContact O-N 2.89Å; L221-T411 HydrophobicContact CD2-CG2 4.18Å; L221-T411 HydrophobicContact CG-CG2 4.26Å |
| 222 | N | 89.8 | Confident | 72.4 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 137.8 | -177 | -49.8 | -101.2 | 0 | 0 | 0 | 109 | V185 H201 L202 S204 W220 V236 | V185-N222 WeakPolarHBondContact CG1-OD1 3.47Å; V185-N222 HydrophobicContact CG2-CB 4.36Å; H201-N222 CarbonylContact C-O 3.57Å; H201-N222 VanDerWaalsContact CA-O 3.22Å; H201-N222 WeakPolarHBondContact CA-O 3.48Å; L202-N222 HydrophobicContact CD1-CB 3.89Å; L202-N222 HydrophobicContact CG-CB 4.07Å; L202-N222 PolarHBondContact N-O 2.78Å; L202-N222 PolarHBondContact O-N 3.32Å; L202-N222 PolarHBondContact O-ND2 2.92Å; S204-N222 PolarHBondContact N-ND2 3.47Å; S204-N222 PolarHBondContact OG-ND2 3.49Å; W220-N222 PolarHBondContact O-ND2 3.14Å; W220-N222 VanDerWaalsContact O-ND2 3.09Å; N222-V236 HydrophobicContact CB-CG1 4.29Å; N222-V236 WeakPolarHBondContact OD1-CG1 3.11Å |
| 223 | K | 88.5 | Confident | 72 | Confident | 35 Ų | 35 | 56.5 Ų | 56.5 | 15% | 0.152 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 137.3 | 166.7 | -157 | -175.8 | -163.7 | -162.6 | 0 | 109.3 | F225 D227 V235 | K223-F225 VanDerWaalsContact C-N 3.32Å; K223-F225 HydrophobicContact CD-CD2 4.11Å; K223-F225 HydrophobicContact CD-CE2 3.97Å; K223-F225 HydrophobicContact CD-CZ 4.27Å; K223-F225 HydrophobicContact CG-CD1 4.44Å; K223-F225 HydrophobicContact CG-CD2 4.49Å; K223-F225 HydrophobicContact CG-CE1 4.34Å; K223-F225 HydrophobicContact CG-CE2 4.45Å; K223-F225 HydrophobicContact CG-CZ 4.36Å; K223-F225 PolarHBondContact O-N 3.14Å; K223-D227 IonicContact NZ-OD1 3.47Å; K223-D227 PolarHBondContact NZ-OD1 2.98Å; K223-D227 IonicContact NZ-OD2 2.78Å; K223-D227 PolarHBondContact NZ-OD2 3.14Å; K223-V235 HydrophobicContact CB-CB 4.14Å; K223-V235 PolarHBondContact N-O 3.09Å; K223-V235 VanDerWaalsContact N-O 3.11Å |
| 224 | A | 85.4 | Confident | 71.7 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -68.6 | -31.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L153 V173 S183 W196 T200 | L153-A224 HydrophobicContact CD1-CB 3.84Å; V173-A224 HydrophobicContact CG1-CB 4.27Å; S183-A224 WeakPolarHBondContact CB-O 3.41Å; S183-A224 PolarHBondContact OG-O 3.16Å; W196-A224 HydrophobicContact CH2-CB 3.72Å; W196-A224 HydrophobicContact CZ3-CB 3.75Å; T200-A224 VanDerWaalsContact O-CB 3.26Å; T200-A224 WeakPolarHBondContact O-CB 3.26Å; T200-A224 PolarHBondContact O-N 3.21Å |
| 225 | F | 77.4 | Confident | 71.4 | Confident | 83 Ų | 83 | 57.6 Ų | 57.6 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -112.7 | 150.1 | 179.4 | 49.9 | -85.8 | 0 | 0 | 0 | 111.1 | T200 K223 | T200-F225 HydrophobicContact CG2-CE1 3.79Å; T200-F225 HydrophobicContact CG2-CZ 4.45Å; K223-F225 VanDerWaalsContact C-N 3.32Å; K223-F225 HydrophobicContact CD-CD2 4.11Å; K223-F225 HydrophobicContact CD-CE2 3.97Å; K223-F225 HydrophobicContact CD-CZ 4.27Å; K223-F225 HydrophobicContact CG-CD1 4.44Å; K223-F225 HydrophobicContact CG-CD2 4.49Å; K223-F225 HydrophobicContact CG-CE1 4.34Å; K223-F225 HydrophobicContact CG-CE2 4.45Å; K223-F225 HydrophobicContact CG-CZ 4.36Å; K223-F225 PolarHBondContact O-N 3.14Å |
| 226 | Q | 64.8 | Low | 71.3 | Confident | 72 Ų | 72 | 60.8 Ų | 60.8 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | trans | -92.5 | 125.9 | 173.4 | -66.1 | 174.1 | -10.4 | 0 | 0 | 107.9 | E231 N234 | Q226-E231 PolarHBondContact OE1-O 3.07Å; Q226-N234 PolarHBondContact NE2-OD1 3.47Å; Q226-N234 VanDerWaalsContact NE2-OD1 3.14Å | ||
| 227 | D | 55 | Low | 71.1 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 40% | 0.401 | 31% | 0.313 | S | S | . | . | trans | -71.9 | 153.8 | 170.7 | -66.5 | -33.6 | 0 | 0 | 0 | 109.1 | K223 E229 S230 | K223-D227 IonicContact NZ-OD1 3.47Å; K223-D227 PolarHBondContact NZ-OD1 2.98Å; K223-D227 IonicContact NZ-OD2 2.78Å; K223-D227 PolarHBondContact NZ-OD2 3.14Å; D227-E229 PolarHBondContact O-N 3.48Å; D227-S230 CarbonylContact O-C 3.46Å; D227-S230 PolarHBondContact O-N 3.42Å | ||
| 228 | I | 52.5 | Low | 71 | Confident | 153 Ų | 153 | 64.7 Ų | 64.7 | 79% | 0.785 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -54.4 | -24.8 | -175.7 | -61.5 | 163 | 0 | 0 | 0 | 112.7 | S230 | I228-S230 VanDerWaalsContact C-N 3.3Å; I228-S230 PolarHBondContact O-N 3.18Å |
| 229 | E | 44.1 | Very low | 70.9 | Confident | 197 Ų | 197 | 64.4 Ų | 64.4 | 92% | 0.921 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -82.6 | -3.3 | 177.8 | -62.6 | -174 | 163.9 | 0 | 0 | 113.9 | D227 | D227-E229 PolarHBondContact O-N 3.48Š|
| 230 | S | 49.3 | Very low | 70.8 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 25% | 0.245 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -141.6 | 44.3 | -174.7 | -141.6 | 0 | 0 | 0 | 0 | 113.2 | D227 I228 N232 V233 | D227-S230 CarbonylContact O-C 3.46Å; D227-S230 PolarHBondContact O-N 3.42Å; I228-S230 VanDerWaalsContact C-N 3.3Å; I228-S230 PolarHBondContact O-N 3.18Å; S230-N232 PolarHBondContact O-N 2.84Å; S230-V233 PolarHBondContact O-N 3.4Å; S230-V233 PolarHBondContact OG-O 3.2Å; S230-V233 VanDerWaalsContact OG-O 3.09Å |
| 231 | E | 45.1 | Very low | 70.7 | Confident | 135 Ų | 135 | 62.4 Ų | 62.4 | 63% | 0.631 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -16.2 | 177.9 | -62.9 | -179 | 166.6 | 0 | 0 | 114.2 | Q226 | Q226-E231 PolarHBondContact OE1-O 3.07Š|
| 232 | N | 44 | Very low | 70.5 | Confident | 151 Ų | 151 | 62.4 Ų | 62.4 | 81% | 0.807 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.1 | -0.2 | -175.5 | -65.8 | -54.8 | 0 | 0 | 0 | 114.4 | S230 | S230-N232 PolarHBondContact O-N 2.84Š|
| 233 | V | 55.3 | Low | 70.3 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 56% | 0.564 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -139.3 | 125.9 | -175.9 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | S230 V235 | S230-V233 PolarHBondContact O-N 3.4Å; S230-V233 PolarHBondContact OG-O 3.2Å; S230-V233 VanDerWaalsContact OG-O 3.09Å; V233-V235 PolarHBondContact O-N 3.45Å |
| 234 | N | 61.9 | Low | 70 | Confident | 40 Ų | 40 | 61.2 Ų | 61.2 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | trans | -67 | 132.4 | 174.9 | -65.9 | -26.1 | 0 | 0 | 0 | 110.1 | R184 Q226 V236 | R184-N234 PolarHBondContact O-ND2 3.49Å; Q226-N234 PolarHBondContact NE2-OD1 3.47Å; Q226-N234 VanDerWaalsContact NE2-OD1 3.14Å; N234-V236 HydrophobicContact CB-CG1 3.79Å; N234-V236 PolarHBondContact O-N 3.11Å; N234-V236 VanDerWaalsContact O-N 3.14Å | ||
| 235 | V | 66.2 | Low | 69.7 | Low | 49 Ų | 49 | 63.9 Ų | 63.9 | 30% | 0.297 | 33% | 0.325 | S | S | . | . | trans | -73.7 | 105.6 | 171 | -178.3 | 0 | 0 | 0 | 0 | 108.1 | K223 V233 T411 | K223-V235 HydrophobicContact CB-CB 4.14Å; K223-V235 PolarHBondContact N-O 3.09Å; K223-V235 VanDerWaalsContact N-O 3.11Å; V233-V235 PolarHBondContact O-N 3.45Å; V235-T411 HydrophobicContact CG1-CG2 4.3Å | ||
| 236 | V | 77.9 | Confident | 69.8 | Low | 68 Ų | 68 | 62.2 Ų | 62.2 | 41% | 0.412 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 141.3 | -173.3 | -60.6 | 0 | 0 | 0 | 0 | 112.6 | W220 L221 N222 N234 | W220-V236 HydrophobicContact CE3-CB 4.37Å; W220-V236 HydrophobicContact CE3-CG2 4.31Å; L221-V236 CarbonylContact O-C 3.59Å; L221-V236 VanDerWaalsContact O-CA 3.27Å; L221-V236 WeakPolarHBondContact O-CA 3.47Å; N222-V236 HydrophobicContact CB-CG1 4.29Å; N222-V236 WeakPolarHBondContact OD1-CG1 3.11Å; N234-V236 HydrophobicContact CB-CG1 3.79Å; N234-V236 PolarHBondContact O-N 3.11Å; N234-V236 VanDerWaalsContact O-N 3.14Å |
| 237 | K | 83.8 | Confident | 70.4 | Confident | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.078 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.1 | 172.7 | -180 | 176.9 | 174.5 | -180 | 0 | 108.6 | L221 L239 D407 T410 T411 | L221-K237 PolarHBondContact N-O 3.4Å; L221-K237 PolarHBondContact O-N 2.89Å; K237-L239 PolarHBondContact O-N 3.15Å; K237-D407 PolarHBondContact NZ-O 3.32Å; K237-T410 VanDerWaalsContact CD-O 3.25Å; K237-T410 WeakPolarHBondContact CD-O 3.29Å; K237-T410 PolarHBondContact NZ-O 2.68Å; K237-T411 HydrophobicContact CB-CG2 4.25Å |
| 238 | R | 86.8 | Confident | 71.6 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 28% | 0.275 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 118.9 | 172.5 | -179.6 | -175.4 | 65.3 | 177.3 | -3.3 | 108.7 | V218 W220 L416 | V218-R238 HydrophobicContact CG1-CG 3.81Å; W220-R238 HydrophobicContact CE3-CB 4.1Å; W220-R238 HydrophobicContact CH2-CB 4.41Å; W220-R238 HydrophobicContact CZ3-CB 3.89Å; R238-L416 PolarHBondContact NH2-O 2.61Å |
| 239 | L | 87.6 | Confident | 73 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -60 | 178.6 | -170 | 65.4 | 0 | 0 | 0 | 110.2 | I203 L219 K237 L385 I404 Q408 | I203-L239 HydrophobicContact CD1-CD2 3.83Å; I203-L239 HydrophobicContact CG1-CD2 4.29Å; L219-L239 WeakPolarHBondContact O-CB 3.21Å; L219-L239 PolarHBondContact O-N 3.42Å; K237-L239 PolarHBondContact O-N 3.15Å; L239-L385 HydrophobicContact CD2-CD2 4.24Å; L239-I404 HydrophobicContact CD1-CG2 4.42Å; L239-I404 HydrophobicContact CD2-CD1 4.18Å; L239-Q408 HydrophobicContact CD1-CB 4Å; L239-Q408 WeakPolarHBondContact CD1-O 3.27Å |
| 240 | F | 89.1 | Confident | 75.1 | Confident | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 151.6 | 179 | -59.4 | -61.1 | 0 | 0 | 0 | 111.6 | V218 L219 I242 L385 K402 I404 D427 | V218-F240 WeakPolarHBondContact CA-O 3.32Å; L219-F240 PolarHBondContact N-O 2.94Å; L219-F240 PolarHBondContact O-N 3.16Å; F240-I242 HydrophobicContact CB-CD1 4.36Å; F240-I242 HydrophobicContact CB-CG1 4.34Å; F240-L385 HydrophobicContact CD2-CD2 3.68Å; F240-L385 HydrophobicContact CE2-CD2 3.87Å; F240-K402 HydrophobicContact CD1-CG 4.1Å; F240-K402 HydrophobicContact CD2-CG 4.06Å; F240-K402 HydrophobicContact CE1-CD 4.33Å; F240-K402 HydrophobicContact CE1-CG 3.71Å; F240-K402 HydrophobicContact CE2-CB 4.3Å; F240-K402 HydrophobicContact CE2-CG 3.65Å; F240-K402 HydrophobicContact CG-CG 4.28Å; F240-K402 HydrophobicContact CZ-CG 3.47Å; F240-K402 VanDerWaalsContact CZ-CG 3.47Å; F240-I404 HydrophobicContact CE2-CG1 4.04Å; F240-I404 HydrophobicContact CZ-CG1 4.35Å; F240-D427 WeakPolarHBondContact CA-OD2 3.46Å; F240-D427 HydrophobicContact CD1-CB 4.29Å |
| 241 | K | 88.5 | Confident | 76.9 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 11% | 0.113 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 106.6 | 170.4 | -179.6 | 175.8 | 174.5 | -165 | 0 | 109.6 | V218 F426 D427 | V218-K241 HydrophobicContact CG2-CD 4.36Å; V218-K241 HydrophobicContact CG2-CG 4.02Å; K241-F426 HydrophobicContact CD-CD1 4.45Å; K241-F426 HydrophobicContact CG-CD1 4Å; K241-F426 HydrophobicContact CG-CE1 4.34Å; K241-F426 CarbonylContact O-C 3.54Å; K241-F426 WeakPolarHBondContact O-CA 3.42Å; K241-D427 PolarHBondContact N-OD2 3.11Å; K241-D427 PolarHBondContact O-N 3.41Å |
| 242 | I | 87.6 | Confident | 79 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 133.4 | -172 | -62.3 | 164.8 | 0 | 0 | 0 | 108.9 | C216 S217 L219 F240 I250 F387 L429 | C216-I242 CarbonylContact C-O 3.58Å; C216-I242 WeakPolarHBondContact CA-O 3.42Å; C216-I242 VanDerWaalsContact CB-O 3.32Å; C216-I242 WeakPolarHBondContact CB-O 3.14Å; S217-I242 PolarHBondContact N-O 2.99Å; S217-I242 PolarHBondContact O-N 3.14Å; L219-I242 HydrophobicContact CD1-CD1 4.23Å; F240-I242 HydrophobicContact CB-CD1 4.36Å; F240-I242 HydrophobicContact CB-CG1 4.34Å; I242-I250 HydrophobicContact CB-CD1 3.9Å; I242-I250 HydrophobicContact CD1-CD1 3.55Å; I242-I250 HydrophobicContact CG1-CD1 4.3Å; I242-I250 HydrophobicContact CG2-CD1 4.08Å; I242-F387 HydrophobicContact CD1-CE1 3.78Å; I242-F387 HydrophobicContact CD1-CE2 4Å; I242-F387 HydrophobicContact CD1-CZ 3.39Å; I242-L429 HydrophobicContact CD1-CD2 3.85Å; I242-L429 HydrophobicContact CG1-CD2 4.03Å; I242-L429 HydrophobicContact CG2-CD2 4.21Å |
| 243 | Q | 85 | Confident | 81.3 | Confident | 12 Ų | 12 | 25.2 Ų | 25.2 | 6% | 0.056 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 134.6 | 174.4 | -172.6 | -179.9 | 16.2 | 0 | 0 | 109.9 | T363 F426 | Q243-T363 HydrophobicContact CB-CG2 4.25Å; Q243-F426 HydrophobicContact CB-CB 4.46Å; Q243-F426 HydrophobicContact CB-CD1 3.9Å; Q243-F426 HydrophobicContact CB-CD2 3.86Å; Q243-F426 HydrophobicContact CB-CE1 4.04Å; Q243-F426 HydrophobicContact CB-CE2 3.95Å; Q243-F426 HydrophobicContact CB-CG 3.83Å; Q243-F426 HydrophobicContact CB-CZ 4.04Å; Q243-F426 HydrophobicContact CG-CD2 4.22Å; Q243-F426 HydrophobicContact CG-CE1 4.44Å; Q243-F426 HydrophobicContact CG-CE2 3.86Å; Q243-F426 HydrophobicContact CG-CZ 3.98Å |
| 244 | N | 82.8 | Confident | 83.2 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133.1 | 169 | -50.1 | -44.4 | 0 | 0 | 0 | 109.6 | L207 S215 S217 S248 | L207-N244 WeakPolarHBondContact CD1-ND2 3.39Å; S215-N244 PolarHBondContact N-O 3.39Å; S215-N244 PolarHBondContact O-N 3.47Å; S215-N244 VanDerWaalsContact O-O 3.1Å; S215-N244 WeakPolarHBondContact OG-CB 3.36Å; S215-N244 PolarHBondContact OG-ND2 3.01Å; S217-N244 PolarHBondContact N-ND2 3.42Å; S217-N244 PolarHBondContact OG-ND2 3.48Å; N244-S248 WeakPolarHBondContact CB-O 3.3Å; N244-S248 PolarHBondContact ND2-O 2.83Å |
| 245 | I | 79.8 | Confident | 84.9 | Confident | 57 Ų | 57 | 21.3 Ų | 21.3 | 29% | 0.292 | 11% | 0.11 | S | C | . | . | trans | -102 | 149.1 | 179.8 | -56.6 | 173.7 | 0 | 0 | 0 | 107.6 | A247 S248 | I245-A247 VanDerWaalsContact C-N 3.34Å; I245-A247 PolarHBondContact O-N 2.77Å; I245-S248 WeakPolarHBondContact O-CB 3.37Å; I245-S248 PolarHBondContact O-N 3.44Å; I245-S248 VanDerWaalsContact O-N 3.08Å | ||
| 246 | N | 79.9 | Confident | 86.2 | Confident | 48 Ų | 48 | 19 Ų | 19 | 26% | 0.257 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 41.4 | 169.5 | -77.5 | -17.7 | 0 | 0 | 0 | 114.5 | M213 S248 S391 T393 Y394 P467 | M213-N246 PolarHBondContact O-N 3.49Å; N246-S248 PolarHBondContact O-N 3.37Å; N246-S391 PolarHBondContact ND2-O 2.75Å; N246-T393 CarbonylContact O-C 3.58Å; N246-Y394 PolarHBondContact O-N 2.82Å; N246-P467 HydrophobicContact CB-CB 3.76Å; N246-P467 HydrophobicContact CB-CG 3.95Å |
| 247 | A | 76.4 | Confident | 86.8 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 3% | 0.033 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 13.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | W209 M213 I245 V336 M468 | W209-A247 HydrophobicContact CH2-CB 3.81Å; W209-A247 HydrophobicContact CZ3-CB 4.08Å; M213-A247 PolarHBondContact O-N 3.07Å; I245-A247 VanDerWaalsContact C-N 3.34Å; I245-A247 PolarHBondContact O-N 2.77Å; A247-V336 HydrophobicContact CB-CG2 4.36Å; A247-M468 HydrophobicContact CB-SD 4.11Å |
| 248 | S | 81.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -60.4 | 159.5 | 171.6 | -175.7 | 0 | 0 | 0 | 0 | 111.4 | S215 N244 I245 N246 G390 | S215-S248 PolarHBondContact OG-O 3.04Å; N244-S248 WeakPolarHBondContact CB-O 3.3Å; N244-S248 PolarHBondContact ND2-O 2.83Å; I245-S248 WeakPolarHBondContact O-CB 3.37Å; I245-S248 PolarHBondContact O-N 3.44Å; I245-S248 VanDerWaalsContact O-N 3.08Å; N246-S248 PolarHBondContact O-N 3.37Å; S248-G390 WeakPolarHBondContact CB-O 3.34Å; S248-G390 VanDerWaalsContact OG-CA 3.29Å; S248-G390 WeakPolarHBondContact OG-CA 3.34Å; S248-G390 PolarHBondContact OG-N 3.5Å; S248-G390 PolarHBondContact OG-O 3.03Å | ||
| 249 | T | 82 | Confident | 86.1 | Confident | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.031 | 10% | 0.098 | C | C | . | . | trans | -136.2 | 147.8 | 176.5 | 64.3 | 0 | 0 | 0 | 0 | 109.7 | L207 R251 | L207-T249 HydrophobicContact CD1-CG2 3.93Å; L207-T249 HydrophobicContact CD2-CG2 3.58Å; L207-T249 HydrophobicContact CG-CG2 4.4Å; T249-R251 PolarHBondContact O-N 2.96Å; T249-R251 WeakPolarHBondContact OG1-CG 3.48Å; T249-R251 PolarHBondContact OG1-NE 3.03Å; T249-R251 VanDerWaalsContact OG1-NE 3.1Å | ||
| 250 | I | 88.2 | Confident | 84.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | trans | -68.1 | 126.7 | 162.2 | -67 | -174.5 | 0 | 0 | 0 | 108.4 | V192 S217 L219 I242 V253 F387 T388 | V192-I250 WeakPolarHBondContact CG2-O 3.34Å; S217-I250 PolarHBondContact OG-N 2.86Å; L219-I250 HydrophobicContact CD1-CD1 4.36Å; L219-I250 HydrophobicContact CD2-CG2 4.46Å; I242-I250 HydrophobicContact CB-CD1 3.9Å; I242-I250 HydrophobicContact CD1-CD1 3.55Å; I242-I250 HydrophobicContact CG1-CD1 4.3Å; I242-I250 HydrophobicContact CG2-CD1 4.08Å; I250-V253 HydrophobicContact CG2-CG2 3.92Å; I250-F387 HydrophobicContact CB-CD2 4.3Å; I250-F387 HydrophobicContact CD1-CD2 3.6Å; I250-F387 HydrophobicContact CD1-CE2 3.56Å; I250-F387 HydrophobicContact CD1-CG 4.25Å; I250-F387 HydrophobicContact CD1-CZ 4.19Å; I250-F387 HydrophobicContact CG1-CD2 3.68Å; I250-F387 HydrophobicContact CG1-CE2 3.92Å; I250-F387 HydrophobicContact CG2-CB 3.75Å; I250-F387 HydrophobicContact CG2-CD2 3.81Å; I250-F387 HydrophobicContact CG2-CG 3.93Å; I250-T388 VanDerWaalsContact CA-O 3.28Å; I250-T388 WeakPolarHBondContact CA-O 3.15Å | ||
| 251 | R | 87 | Confident | 83.6 | Confident | 7 Ų | 7 | 29.3 Ų | 29.3 | 3% | 0.026 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 166.1 | 169.7 | -46.1 | -173.8 | -170 | -141.8 | -10.3 | 109.2 | D191 T249 T388 P396 C506 | D191-R251 WeakPolarHBondContact OD2-CD 3.39Å; D191-R251 IonicContact OD2-CZ 3.51Å; D191-R251 IonicContact OD2-NE 3.11Å; D191-R251 PolarHBondContact OD2-NE 3.26Å; D191-R251 IonicContact OD2-NH1 2.89Å; D191-R251 PolarHBondContact OD2-NH1 3.09Å; D191-R251 IonicContact OD2-NH2 2.78Å; T249-R251 PolarHBondContact O-N 2.96Å; T249-R251 WeakPolarHBondContact OG1-CG 3.48Å; T249-R251 PolarHBondContact OG1-NE 3.03Å; T249-R251 VanDerWaalsContact OG1-NE 3.1Å; R251-T388 WeakPolarHBondContact CA-OG1 3.44Å; R251-T388 WeakPolarHBondContact CB-OG1 3.21Å; R251-T388 PolarHBondContact N-O 2.77Å; R251-T388 VanDerWaalsContact N-O 3.16Å; R251-T388 PolarHBondContact N-OG1 2.73Å; R251-T388 PolarHBondContact O-N 3.44Å; R251-T388 PolarHBondContact O-OG1 2.78Å; R251-P396 HydrophobicContact CB-CG 4.38Å; R251-P396 HydrophobicContact CG-CG 3.92Å; R251-C506 PolarHBondContact NH1-SG 3.24Å |
| 252 | T | 88 | Confident | 81.8 | Confident | 17 Ų | 17 | 33.1 Ų | 33.1 | 10% | 0.104 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 44.4 | 89.2 | 177.9 | -52.7 | 0 | 0 | 0 | 0 | 112.6 | D191 M254 F387 M442 | D191-T252 PolarHBondContact O-N 3.14Å; T252-M254 HydrophobicContact CG2-CG 4.37Å; T252-M254 HydrophobicContact CG2-SD 4.41Å; T252-F387 VanDerWaalsContact O-CA 3.3Å; T252-F387 WeakPolarHBondContact O-CA 3.31Å; T252-M442 HydrophobicContact CG2-CB 4.37Å; T252-M442 HydrophobicContact CG2-SD 4.38Å |
| 253 | V | 93.4 | Very high | 79.9 | Confident | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.042 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 134.8 | 178.2 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | V192 C195 I203 L219 I250 L385 F387 | V192-V253 HydrophobicContact CG1-CG2 3.87Å; C195-V253 WeakPolarHBondContact CB-O 3.2Å; I203-V253 HydrophobicContact CG2-CG1 4.33Å; L219-V253 HydrophobicContact CD2-CG2 4.38Å; I250-V253 HydrophobicContact CG2-CG2 3.92Å; V253-L385 HydrophobicContact CG1-CD1 3.39Å; V253-L385 HydrophobicContact CG1-CG 4.14Å; V253-F387 HydrophobicContact CG2-CB 4.17Å |
| 254 | M | 95.1 | Very high | 77.9 | Confident | 36 Ų | 36 | 40 Ų | 40 | 18% | 0.177 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 150.7 | -179.8 | -58.2 | 176 | 74.8 | 0 | 0 | 110.6 | T252 L386 M442 L444 | T252-M254 HydrophobicContact CG2-CG 4.37Å; T252-M254 HydrophobicContact CG2-SD 4.41Å; M254-L386 HydrophobicContact CB-CB 4.44Å; M254-L386 PolarHBondContact N-O 3.4Å; M254-L386 PolarHBondContact O-N 3.11Å; M254-M442 HydrophobicContact SD-CB 3.74Å; M254-M442 HydrophobicContact SD-CE 4.37Å; M254-L444 HydrophobicContact CE-CB 4.48Å; M254-L444 HydrophobicContact CE-CD1 4.09Å; M254-L444 HydrophobicContact CE-CG 3.86Å |
| 255 | V | 95.8 | Very high | 75.8 | Confident | 14 Ų | 14 | 43.6 Ų | 43.6 | 9% | 0.085 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 127.5 | 174 | 172.8 | 0 | 0 | 0 | 0 | 109.3 | L197 I203 T383 Y384 L385 | L197-V255 HydrophobicContact CD1-CG1 3.97Å; L197-V255 HydrophobicContact CD1-CG2 4Å; I203-V255 HydrophobicContact CD1-CG2 3.92Å; V255-T383 HydrophobicContact CG1-CG2 3.68Å; V255-Y384 WeakPolarHBondContact CA-O 3.44Å; V255-L385 HydrophobicContact CG2-CD1 4.01Å |
| 256 | A | 94.4 | Very high | 74.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | C258 T383 Y384 L386 L444 H448 L484 | A256-C258 PolarHBondContact O-N 3.02Å; A256-T383 WeakPolarHBondContact O-CA 3.48Å; A256-Y384 PolarHBondContact N-O 3.32Å; A256-Y384 PolarHBondContact O-N 3.23Å; A256-L386 HydrophobicContact CB-CD1 3.8Å; A256-L386 HydrophobicContact CB-CG 4.32Å; A256-L444 HydrophobicContact CB-CD1 3.93Å; A256-L444 HydrophobicContact CB-CD2 4.16Å; A256-H448 HydrophobicContact CB-CB 4.41Å; A256-L484 HydrophobicContact CB-CD1 3.91Å |
| 257 | H | 90.8 | Very high | 72.3 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 21% | 0.208 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 95.4 | 170.8 | -58.4 | -63.9 | 0 | 0 | 0 | 110.4 | L197 R259 T383 H448 | L197-H257 PolarHBondContact O-CE1 3.02Å; L197-H257 PolarHBondContact O-NE2 2.84Å; H257-R259 VanDerWaalsContact C-N 3.31Å; H257-R259 PolarHBondContact O-N 2.87Å; H257-R259 VanDerWaalsContact O-N 3.08Å; H257-T383 PolarHBondContact ND1-OG1 3.38Å; H257-H448 PolarHBondContact N-ND1 3.45Å; H257-H448 PolarHBondContact O-ND1 3.11Å |
| 258 | C | 85.3 | Confident | 70.6 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 68.5 | -178.7 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | A256 R260 H261 K382 | A256-C258 PolarHBondContact O-N 3.02Å; C258-R260 PolarHBondContact O-N 3.16Å; C258-H261 WeakPolarHBondContact CB-CE1 3.3Å; C258-H261 WeakPolarHBondContact CB-NE2 3.32Å; C258-H261 PolarHBondContact SG-NE2 3.35Å; C258-K382 WeakPolarHBondContact CA-O 3.41Å; C258-K382 HydrophobicContact CB-CB 4.3Å; C258-K382 VanDerWaalsContact CB-O 3.26Å; C258-K382 WeakPolarHBondContact CB-O 3.15Å; C258-K382 PolarHBondContact N-O 2.94Å; C258-K382 PolarHBondContact O-N 3.03Å |
| 259 | R | 71.3 | Confident | 68.7 | Low | 160 Ų | 160 | 53.2 Ų | 53.2 | 60% | 0.604 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 99.7 | 178.2 | -62.6 | -176.7 | 176.4 | 148.7 | -0 | 109.2 | H257 D381 | H257-R259 VanDerWaalsContact C-N 3.31Å; H257-R259 PolarHBondContact O-N 2.87Å; H257-R259 VanDerWaalsContact O-N 3.08Å; R259-D381 VanDerWaalsContact CA-OD1 3.26Å; R259-D381 WeakPolarHBondContact CA-OD1 3.26Å; R259-D381 WeakPolarHBondContact CB-OD1 3.43Å; R259-D381 HydrophobicContact CG-CB 4.25Å |
| 260 | R | 61.1 | Low | 66.8 | Low | 145 Ų | 145 | 56.7 Ų | 56.7 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | trans | 53.9 | 80.7 | 178.5 | -61.1 | -173.7 | 170.5 | 155.8 | 8.5 | 115.7 | C258 D262 N263 E380 | C258-R260 PolarHBondContact O-N 3.16Å; R260-D262 PolarHBondContact O-N 2.98Å; R260-N263 HydrophobicContact CB-CB 4.48Å; R260-N263 PolarHBondContact O-N 2.81Å; R260-E380 WeakPolarHBondContact CD-OE2 3.46Å; R260-E380 HydrophobicContact CG-CB 4.03Å; R260-E380 WeakPolarHBondContact CG-OE2 3.47Å; R260-E380 IonicContact CZ-OE2 3.79Å; R260-E380 IonicContact NE-OE2 3.71Å; R260-E380 PolarHBondContact NE-OE2 3.44Å; R260-E380 IonicContact NH2-OE2 3.24Å | ||
| 261 | H | 62.1 | Low | 64.6 | Low | 29 Ų | 29 | 62.9 Ų | 62.9 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -12.3 | 168.1 | -64 | 132.4 | 0 | 0 | 0 | 115.1 | C258 R449 K485 | C258-H261 WeakPolarHBondContact CB-CE1 3.3Å; C258-H261 WeakPolarHBondContact CB-NE2 3.32Å; C258-H261 PolarHBondContact SG-NE2 3.35Å; H261-R449 PolarHBondContact O-NH1 3.39Å; H261-K485 HydrophobicContact CB-CB 3.95Å; H261-K485 HydrophobicContact CB-CD 3.73Å; H261-K485 HydrophobicContact CB-CG 3.8Å; H261-K485 WeakPolarHBondContact ND1-CB 3.37Å |
| 262 | D | 51.5 | Low | 62.5 | Low | 107 Ų | 107 | 64.9 Ų | 64.9 | 57% | 0.572 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.9 | -4.8 | -175.7 | -77.6 | -47 | 0 | 0 | 0 | 115 | R260 P264 K485 | R260-D262 PolarHBondContact O-N 2.98Å; D262-P264 WeakPolarHBondContact O-CD 3.33Å; D262-K485 IonicContact OD1-NZ 2.91Å; D262-K485 PolarHBondContact OD1-NZ 3.39Å; D262-K485 WeakPolarHBondContact OD2-CE 3.47Å; D262-K485 IonicContact OD2-NZ 2.73Å; D262-K485 PolarHBondContact OD2-NZ 3.05Å |
| 263 | N | 46.8 | Very low | 60.3 | Low | 60 Ų | 60 | 67.7 Ų | 67.7 | 32% | 0.321 | 34% | 0.335 | S | S | . | . | trans | -87.9 | 109.1 | 176.8 | -163.2 | -2.8 | 0 | 0 | 0 | 110.9 | R260 D265 | R260-N263 HydrophobicContact CB-CB 4.48Å; R260-N263 PolarHBondContact O-N 2.81Å; N263-D265 PolarHBondContact O-N 2.98Å; N263-D265 VanDerWaalsContact O-N 3.16Å; N263-D265 VanDerWaalsContact OD1-CB 3.25Å; N263-D265 WeakPolarHBondContact OD1-CB 3.49Å; N263-D265 PolarHBondContact OD1-N 2.88Å; N263-D265 PolarHBondContact OD1-OD2 3.06Å | ||
| 264 | P | 43.9 | Very low | 58 | Low | 96 Ų | 96 | 68.7 Ų | 68.7 | 62% | 0.623 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.5 | 173.2 | 28.3 | -35.1 | 0 | 0 | 0 | 112.9 | D262 | D262-P264 WeakPolarHBondContact O-CD 3.33Š|
| 265 | D | 38.8 | Very low | 55.7 | Low | 76 Ų | 76 | 72.3 Ų | 72.3 | 41% | 0.406 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -11.9 | -170.5 | -64.8 | -26.4 | 0 | 0 | 0 | 115 | N263 L267 L268 D269 | N263-D265 PolarHBondContact O-N 2.98Å; N263-D265 VanDerWaalsContact O-N 3.16Å; N263-D265 VanDerWaalsContact OD1-CB 3.25Å; N263-D265 WeakPolarHBondContact OD1-CB 3.49Å; N263-D265 PolarHBondContact OD1-N 2.88Å; N263-D265 PolarHBondContact OD1-OD2 3.06Å; D265-L267 PolarHBondContact O-N 2.65Å; D265-L267 VanDerWaalsContact O-N 3.16Å; D265-L268 CarbonylContact O-C 3.55Å; D265-L268 WeakPolarHBondContact O-CA 3.45Å; D265-L268 PolarHBondContact O-N 2.82Å; D265-D269 PolarHBondContact O-N 2.88Å |
| 266 | L | 43.2 | Very low | 53.1 | Low | 72 Ų | 72 | 74.2 Ų | 74.2 | 38% | 0.377 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.5 | -25 | 175.7 | -81 | 164.5 | 0 | 0 | 0 | 112.6 | L268 | L266-L268 VanDerWaalsContact C-N 3.34Å |
| 267 | L | 43 | Very low | 50.9 | Low | 72 Ų | 72 | 79.8 Ų | 79.8 | 38% | 0.377 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -79.7 | -13.8 | 174.2 | -66 | 169.9 | 0 | 0 | 0 | 113.7 | D265 R515 | D265-L267 PolarHBondContact O-N 2.65Å; D265-L267 VanDerWaalsContact O-N 3.16Å; L267-R515 HydrophobicContact CD2-CG 3.59Å; L267-R515 PolarHBondContact O-NE 2.85Å; L267-R515 PolarHBondContact O-NH2 2.93Å |
| 268 | L | 39.8 | Very low | 48.9 | Very low | 101 Ų | 101 | 85.4 Ų | 85.4 | 53% | 0.529 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -103.7 | -29.4 | 178.1 | -69.8 | 170.5 | 0 | 0 | 0 | 111.8 | D265 L266 Y270 E271 | D265-L268 CarbonylContact O-C 3.55Å; D265-L268 WeakPolarHBondContact O-CA 3.45Å; D265-L268 PolarHBondContact O-N 2.82Å; L266-L268 VanDerWaalsContact C-N 3.34Å; L268-Y270 PolarHBondContact O-N 3.17Å; L268-E271 PolarHBondContact O-N 2.77Å |
| 269 | D | 42.1 | Very low | 46.9 | Very low | 67 Ų | 67 | 91.1 Ų | 91.1 | 36% | 0.358 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66 | -20.8 | 176.2 | -88.8 | -12.9 | 0 | 0 | 0 | 112.4 | D265 A272 Q273 | D265-D269 PolarHBondContact O-N 2.88Å; D269-A272 PolarHBondContact O-N 3.36Å; D269-Q273 WeakPolarHBondContact O-CA 3.49Å; D269-Q273 WeakPolarHBondContact O-CB 3.49Å; D269-Q273 WeakPolarHBondContact O-CG 3.25Å; D269-Q273 PolarHBondContact O-N 2.99Å |
| 270 | Y | 41.1 | Very low | 45.4 | Very low | 77 Ų | 77 | 90 Ų | 90 | 30% | 0.302 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.7 | -42.5 | 179.3 | -153.5 | -94.1 | 0 | 0 | 0 | 113.3 | L268 S274 P554 A555 | L268-Y270 PolarHBondContact O-N 3.17Å; Y270-S274 WeakPolarHBondContact O-CB 3.03Å; Y270-S274 PolarHBondContact O-N 3.17Å; Y270-P554 WeakPolarHBondContact CE1-O 3.23Å; Y270-P554 PolarHBondContact OH-O 2.77Å; Y270-A555 VanDerWaalsContact OH-CA 3.23Å; Y270-A555 WeakPolarHBondContact OH-CA 3.26Å; Y270-A555 PolarHBondContact OH-N 2.81Å; Y270-A555 VanDerWaalsContact OH-N 3.16Å |
| 271 | E | 42 | Very low | 44.4 | Very low | 131 Ų | 131 | 86 Ų | 86 | 61% | 0.612 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -69.8 | -38.7 | 174.7 | -77 | -174.5 | 166.4 | 0 | 0 | 111.1 | L268 Q275 | L268-E271 PolarHBondContact O-N 2.77Å; E271-Q275 VanDerWaalsContact O-CB 3.24Å; E271-Q275 WeakPolarHBondContact O-CB 3.32Å; E271-Q275 WeakPolarHBondContact O-CG 3.13Å; E271-Q275 PolarHBondContact O-N 3.21Å |
| 272 | A | 42.8 | Very low | 43.4 | Very low | 49 Ų | 49 | 90.8 Ų | 90.8 | 41% | 0.405 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D269 A276 | D269-A272 PolarHBondContact O-N 3.36Å; A272-A276 WeakPolarHBondContact O-CB 3.09Å; A272-A276 PolarHBondContact O-N 2.76Å |
| 273 | Q | 42.7 | Very low | 42.7 | Very low | 76 Ų | 76 | 91.5 Ų | 91.5 | 36% | 0.355 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -71.7 | -39.9 | 175.5 | -72.9 | 175.2 | 26.1 | 0 | 0 | 111.4 | D269 R277 | D269-Q273 WeakPolarHBondContact O-CA 3.49Å; D269-Q273 WeakPolarHBondContact O-CB 3.49Å; D269-Q273 WeakPolarHBondContact O-CG 3.25Å; D269-Q273 PolarHBondContact O-N 2.99Å; Q273-R277 WeakPolarHBondContact O-CB 3.21Å; Q273-R277 WeakPolarHBondContact O-CG 3.2Å; Q273-R277 PolarHBondContact O-N 3.15Å |
| 274 | S | 44.6 | Very low | 42.4 | Very low | 29 Ų | 29 | 94.2 Ų | 94.2 | 20% | 0.203 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 173.7 | -179.9 | 0 | 0 | 0 | 0 | 111.5 | Y270 R277 R278 | Y270-S274 WeakPolarHBondContact O-CB 3.03Å; Y270-S274 PolarHBondContact O-N 3.17Å; S274-R277 PolarHBondContact O-N 3.11Å; S274-R278 WeakPolarHBondContact O-CB 3.48Å; S274-R278 WeakPolarHBondContact O-CG 3.28Å; S274-R278 PolarHBondContact O-N 3.43Å |
| 275 | Q | 46.3 | Very low | 42.2 | Very low | 112 Ų | 112 | 96.5 Ų | 96.5 | 52% | 0.523 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 174.7 | -73.4 | 174.8 | 12.5 | 0 | 0 | 112.4 | E271 R277 R278 Q279 | E271-Q275 VanDerWaalsContact O-CB 3.24Å; E271-Q275 WeakPolarHBondContact O-CB 3.32Å; E271-Q275 WeakPolarHBondContact O-CG 3.13Å; E271-Q275 PolarHBondContact O-N 3.21Å; Q275-R277 VanDerWaalsContact C-N 3.33Å; Q275-R277 PolarHBondContact O-N 3.32Å; Q275-R278 PolarHBondContact O-N 2.78Å; Q275-Q279 WeakPolarHBondContact O-CB 3.47Å; Q275-Q279 VanDerWaalsContact O-CG 3.28Å; Q275-Q279 WeakPolarHBondContact O-CG 3.22Å; Q275-Q279 PolarHBondContact O-N 2.75Å |
| 276 | A | 41.3 | Very low | 42 | Very low | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A272 K280 | A272-A276 WeakPolarHBondContact O-CB 3.09Å; A272-A276 PolarHBondContact O-N 2.76Å; A276-K280 WeakPolarHBondContact O-CB 3.4Å; A276-K280 PolarHBondContact O-N 2.89Å |
| 277 | R | 49.3 | Very low | 41.2 | Very low | 118 Ų | 118 | 104 Ų | 104 | 45% | 0.445 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70 | -40.8 | 174.9 | -73.9 | 173.2 | -161.1 | -167.4 | 8.6 | 112.2 | Q273 S274 Q275 K280 A281 | Q273-R277 WeakPolarHBondContact O-CB 3.21Å; Q273-R277 WeakPolarHBondContact O-CG 3.2Å; Q273-R277 PolarHBondContact O-N 3.15Å; S274-R277 PolarHBondContact O-N 3.11Å; Q275-R277 VanDerWaalsContact C-N 3.33Å; Q275-R277 PolarHBondContact O-N 3.32Å; R277-K280 PolarHBondContact O-N 2.89Å; R277-A281 PolarHBondContact O-N 2.74Å |
| 278 | R | 48.3 | Very low | 40.5 | Very low | 163 Ų | 163 | 108.9 Ų | 108.9 | 62% | 0.615 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.8 | -43.3 | 172.7 | -76.6 | 178.1 | -177.2 | 176.1 | 3.7 | 112.1 | S274 Q275 K280 A281 E282 | S274-R278 WeakPolarHBondContact O-CB 3.48Å; S274-R278 WeakPolarHBondContact O-CG 3.28Å; S274-R278 PolarHBondContact O-N 3.43Å; Q275-R278 PolarHBondContact O-N 2.78Å; R278-K280 VanDerWaalsContact C-N 3.29Å; R278-K280 PolarHBondContact O-N 3.45Å; R278-A281 PolarHBondContact O-N 3.02Å; R278-E282 WeakPolarHBondContact O-CB 3.2Å; R278-E282 WeakPolarHBondContact O-CG 3.38Å; R278-E282 PolarHBondContact O-N 3.01Å |
| 279 | Q | 43 | Very low | 39.8 | Very low | 121 Ų | 121 | 109.9 Ų | 109.9 | 57% | 0.565 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.8 | -34.7 | 174.7 | -74.8 | 174.2 | 0.3 | 0 | 0 | 112.3 | Q275 E282 Q283 | Q275-Q279 WeakPolarHBondContact O-CB 3.47Å; Q275-Q279 VanDerWaalsContact O-CG 3.28Å; Q275-Q279 WeakPolarHBondContact O-CG 3.22Å; Q275-Q279 PolarHBondContact O-N 2.75Å; Q279-E282 PolarHBondContact O-N 2.79Å; Q279-Q283 WeakPolarHBondContact O-CG 3.48Å; Q279-Q283 PolarHBondContact O-N 3.22Å |
| 280 | K | 39.4 | Very low | 39.1 | Very low | 137 Ų | 137 | 114.7 Ų | 114.7 | 60% | 0.596 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -71.5 | -39.7 | 176.1 | -154.1 | 174.9 | -174.6 | -175.9 | 0 | 112.3 | A276 R277 R278 E282 Q283 D284 | A276-K280 WeakPolarHBondContact O-CB 3.4Å; A276-K280 PolarHBondContact O-N 2.89Å; R277-K280 PolarHBondContact O-N 2.89Å; R278-K280 VanDerWaalsContact C-N 3.29Å; R278-K280 PolarHBondContact O-N 3.45Å; K280-E282 VanDerWaalsContact C-N 3.34Å; K280-Q283 PolarHBondContact O-N 3.44Å; K280-D284 PolarHBondContact O-N 2.68Å |
| 281 | A | 41.2 | Very low | 38.4 | Very low | 59 Ų | 59 | 118.9 Ų | 118.9 | 49% | 0.488 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -66.3 | -33.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R277 R278 N285 | R277-A281 PolarHBondContact O-N 2.74Å; R278-A281 PolarHBondContact O-N 3.02Å; A281-N285 PolarHBondContact O-N 3.24Å |
| 282 | E | 41.2 | Very low | 37.7 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 61% | 0.607 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.7 | -30.3 | 171.6 | -74.9 | 175.3 | 175 | 0 | 0 | 112.7 | R278 Q279 K280 | R278-E282 WeakPolarHBondContact O-CB 3.2Å; R278-E282 WeakPolarHBondContact O-CG 3.38Å; R278-E282 PolarHBondContact O-N 3.01Å; Q279-E282 PolarHBondContact O-N 2.79Å; K280-E282 VanDerWaalsContact C-N 3.34Å |
| 283 | Q | 36.8 | Very low | 36.9 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 58% | 0.575 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.9 | -37.9 | 173.5 | -84.1 | 177.4 | -17.7 | 0 | 0 | 113 | Q279 K280 N285 Q286 | Q279-Q283 WeakPolarHBondContact O-CG 3.48Å; Q279-Q283 PolarHBondContact O-N 3.22Å; K280-Q283 PolarHBondContact O-N 3.44Å; Q283-N285 VanDerWaalsContact C-N 3.27Å; Q283-N285 PolarHBondContact O-N 2.87Å; Q283-Q286 PolarHBondContact O-N 2.88Å |
| 284 | D | 39.4 | Very low | 36.1 | Very low | 116 Ų | 116 | 130.9 Ų | 130.9 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -69.9 | -24.9 | 176.2 | -77.1 | -20.7 | 0 | 0 | 0 | 112.2 | K280 Q286 | K280-D284 PolarHBondContact O-N 2.68Å; D284-Q286 PolarHBondContact O-N 2.72Å |
| 285 | N | 39.3 | Very low | 35.1 | Very low | 144 Ų | 144 | 132.7 Ų | 132.7 | 77% | 0.77 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -7.7 | 168.9 | -97.1 | -13.4 | 0 | 0 | 0 | 114.3 | A281 Q283 | A281-N285 PolarHBondContact O-N 3.24Å; Q283-N285 VanDerWaalsContact C-N 3.27Å; Q283-N285 PolarHBondContact O-N 2.87Å |
| 286 | Q | 34.3 | Very low | 34.1 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 73% | 0.729 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -14 | 175.8 | -70.9 | -178.5 | 7.1 | 0 | 0 | 113.4 | Q283 D284 | Q283-Q286 PolarHBondContact O-N 2.88Å; D284-Q286 PolarHBondContact O-N 2.72Å |
| 287 | H | 27.3 | Very low | 33.3 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 69% | 0.694 | 70% | 0.699 | S | S | * | * | trans | -104.5 | 83.4 | 175.7 | -80.5 | -57.7 | 0 | 0 | 0 | 111 | P289 | H287-P289 WeakPolarHBondContact O-CD 3.31Š| ||
| 288 | H | 27.7 | Very low | 32.1 | Very low | 175 Ų | 175 | 135 Ų | 135 | 81% | 0.81 | 71% | 0.714 | S | S | * | * | trans | -54.2 | 120 | 156.2 | -78.6 | -77.6 | 0 | 0 | 0 | 108.9 | L290 | H288-L290 PolarHBondContact O-N 2.81Š| ||
| 289 | P | 25.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 132 Ų | 132 | 79% | 0.786 | 72% | 0.718 | S | S | * | * | trans | -68.9 | 125.9 | 166.3 | 6.9 | 5.3 | 0 | 0 | 0 | 107.8 | H287 L291 | H287-P289 WeakPolarHBondContact O-CD 3.31Å; P289-L291 PolarHBondContact O-N 2.93Å | ||
| 290 | L | 27.5 | Very low | 30.3 | Very low | 169 Ų | 169 | 135 Ų | 135 | 89% | 0.885 | 73% | 0.732 | S | S | * | * | trans | -55.7 | 112.2 | 171.7 | -74.3 | 158.8 | 0 | 0 | 0 | 108.8 | H288 F292 | H288-L290 PolarHBondContact O-N 2.81Å; L290-F292 PolarHBondContact O-N 2.99Å | ||
| 291 | L | 26.2 | Very low | 29.6 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | trans | -56.7 | 114.1 | 174 | -164.2 | 82.8 | 0 | 0 | 0 | 108.9 | P289 | P289-L291 PolarHBondContact O-N 2.93Š| ||
| 292 | F | 26.6 | Very low | 28.8 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 90% | 0.899 | 77% | 0.767 | S | S | * | * | trans | -84.9 | 112.2 | 164.4 | -114.6 | -88.6 | 0 | 0 | 0 | 108 | L290 | L290-F292 PolarHBondContact O-N 2.99Š| ||
| 293 | D | 26 | Very low | 28 | Very low | 133 Ų | 133 | 146.1 Ų | 146.1 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -73.9 | 122.4 | 177.7 | -170.3 | 9.8 | 0 | 0 | 0 | 110.2 | ||||
| 294 | L | 27.5 | Very low | 27.4 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -135.1 | 100.2 | 160.7 | -78.7 | 175 | 0 | 0 | 0 | 107.3 | ||||
| 295 | G | 23.5 | Very low | 26.7 | Very low | 68 Ų | 68 | 147.9 Ų | 147.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | -77.5 | 153.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 296 | A | 24.9 | Very low | 26.1 | Very low | 91 Ų | 91 | 149.8 Ų | 149.8 | 75% | 0.752 | 80% | 0.802 | S | S | * | * | trans | 164.5 | 100 | 146 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 297 | S | 24.6 | Very low | 25.6 | Very low | 97 Ų | 97 | 148.2 Ų | 148.2 | 68% | 0.678 | 81% | 0.808 | S | S | * | * | 97.1 | 130.6 | 78.9 | 70.3 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 298 | D | 24.4 | Very low | 25.5 | Very low | 144 Ų | 144 | 149.1 Ų | 149.1 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | trans | 74.8 | 102.9 | 158.3 | -54.7 | -11.8 | 0 | 0 | 0 | 116.2 | ||||
| 299 | S | 26.4 | Very low | 25.4 | Very low | 99 Ų | 99 | 150.4 Ų | 150.4 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | 81.8 | 138.6 | 63.2 | 73.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 300 | E | 26.3 | Very low | 25.2 | Very low | 183 Ų | 183 | 153.2 Ų | 153.2 | 86% | 0.855 | 82% | 0.822 | S | S | * | * | trans | 109.8 | 89.2 | 176 | -63.2 | 177.2 | -170.1 | 0 | 0 | 111.1 | ||||
| 301 | E | 24.6 | Very low | 24.9 | Very low | 186 Ų | 186 | 151.7 Ų | 151.7 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | 53.3 | 109.3 | 82 | -72.2 | -171.8 | -175 | 0 | 0 | 112.7 | |||||
| 302 | E | 25.5 | Very low | 24.9 | Very low | 202 Ų | 202 | 147.1 Ų | 147.1 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -162.1 | 114.4 | 134.2 | -107.6 | 173.5 | -162.1 | 0 | 0 | 109.6 | ||||
| 303 | E | 24 | Very low | 24.7 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 81% | 0.808 | 82% | 0.815 | S | S | * | * | trans | -91 | 153.6 | 173.2 | -104.7 | 179.2 | 177.8 | 0 | 0 | 110.4 | ||||
| 304 | E | 24.9 | Very low | 24.7 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | 65.9 | 122.1 | 151.2 | -66.3 | -178.1 | 177.4 | 0 | 0 | 120.1 | ||||
| 305 | A | 24.8 | Very low | 24.5 | Very low | 100 Ų | 100 | 141.2 Ų | 141.2 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | 176.7 | 141.7 | 90.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 306 | E | 24.9 | Very low | 24.5 | Very low | 184 Ų | 184 | 148.9 Ų | 148.9 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -60.6 | 149.8 | 174.6 | -60.1 | 171.5 | 147.9 | 0 | 0 | 112.7 | ||||
| 307 | S | 24.7 | Very low | 24.6 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 85% | 0.853 | 83% | 0.829 | S | S | * | * | trans | -140.3 | 108.4 | 149.3 | 41.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 308 | E | 24.9 | Very low | 24.6 | Very low | 169 Ų | 169 | 152.7 Ų | 152.7 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | -66.1 | 131.1 | 163.1 | -63.5 | -178.7 | 138.1 | 0 | 0 | 109.3 | ||||
| 309 | E | 25.2 | Very low | 24.7 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 94% | 0.944 | 83% | 0.833 | S | S | * | * | trans | -124 | 126.8 | 151.3 | -94.7 | -167.4 | 168.2 | 0 | 0 | 109.7 | ||||
| 310 | Q | 22.1 | Very low | 24.5 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 85% | 0.846 | 84% | 0.843 | S | S | * | * | trans | -122.6 | 120.9 | -169.5 | -173.9 | 175.9 | 56.9 | 0 | 0 | 107.2 | ||||
| 311 | C | 21.9 | Very low | 24.4 | Very low | 137 Ų | 137 | 151.2 Ų | 151.2 | 93% | 0.926 | 84% | 0.839 | S | S | * | * | trans | 171 | 134.4 | 147.3 | -159.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 312 | G | 24.6 | Very low | 24.3 | Very low | 68 Ų | 68 | 147.5 Ų | 147.5 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | cis | -167.4 | 155.9 | 8.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 313 | T | 23.6 | Very low | 24.2 | Very low | 141 Ų | 141 | 141.9 Ų | 141.9 | 87% | 0.865 | 82% | 0.821 | S | S | * | * | trans | -78.3 | 129.1 | 174.4 | 29.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 314 | D | 24.6 | Very low | 24.2 | Very low | 169 Ų | 169 | 145 Ų | 145 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -141.9 | 112 | 152.8 | -108.3 | -20.9 | 0 | 0 | 0 | 109.2 | ||||
| 315 | G | 24.1 | Very low | 24.3 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -80.6 | 126.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 316 | R | 24.1 | Very low | 24.2 | Very low | 229 Ų | 229 | 143.6 Ų | 143.6 | 86% | 0.864 | 82% | 0.821 | S | S | * | * | trans | -141.3 | 109.8 | 151.4 | -76.1 | -166.6 | 173.9 | 170 | -1.4 | 110.4 | H318 | R316-H318 PolarHBondContact O-N 3.16Š| ||
| 317 | S | 26.1 | Very low | 24.8 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | -60.9 | 112.9 | 164.4 | 51.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 318 | H | 24 | Very low | 25.5 | Very low | 150 Ų | 150 | 138.7 Ų | 138.7 | 69% | 0.694 | 79% | 0.791 | S | S | * | * | trans | -137.8 | 124.6 | 159.2 | -84.4 | -63.9 | 0 | 0 | 0 | 109.2 | R316 F320 | R316-H318 PolarHBondContact O-N 3.16Å; H318-F320 WeakPolarHBondContact O-CD2 3.48Å; H318-F320 PolarHBondContact O-N 2.78Å | ||
| 319 | G | 27.7 | Very low | 26.1 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 122.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S321 | G319-S321 PolarHBondContact O-N 2.92Š| ||
| 320 | F | 22.7 | Very low | 27.4 | Very low | 203 Ų | 203 | 126.2 Ų | 126.2 | 89% | 0.89 | 74% | 0.739 | S | S | * | * | trans | -86.4 | 105.9 | 173 | -88.5 | -85.7 | 0 | 0 | 0 | 109.3 | H318 S322 | H318-F320 WeakPolarHBondContact O-CD2 3.48Å; H318-F320 PolarHBondContact O-N 2.78Å; F320-S322 PolarHBondContact O-N 3.19Å | ||
| 321 | S | 22.4 | Very low | 28.7 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | trans | -54.5 | 116.7 | 154.3 | 174.7 | 0 | 0 | 0 | 0 | 108 | G319 A323 | G319-S321 PolarHBondContact O-N 2.92Å; S321-A323 PolarHBondContact O-N 3.16Å | ||
| 322 | S | 24.6 | Very low | 30 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | trans | -54.5 | 107.5 | 168.4 | 173.1 | 0 | 0 | 0 | 0 | 108.8 | F320 R324 | F320-S322 PolarHBondContact O-N 3.19Å; S322-R324 PolarHBondContact O-N 3.14Å | ||
| 323 | A | 21.8 | Very low | 31.5 | Very low | 83 Ų | 83 | 111.2 Ų | 111.2 | 69% | 0.686 | 65% | 0.645 | S | S | * | * | trans | -68.7 | 113.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 106.6 | S321 T325 | S321-A323 PolarHBondContact O-N 3.16Å; A323-T325 PolarHBondContact O-N 2.82Å | ||
| 324 | R | 25.3 | Very low | 33.1 | Very low | 240 Ų | 240 | 107.2 Ų | 107.2 | 91% | 0.906 | 62% | 0.619 | S | S | * | * | trans | -55.5 | 103.9 | 170.9 | -71.5 | -179.5 | -171.3 | -174.8 | -0.3 | 108.6 | S322 | S322-R324 PolarHBondContact O-N 3.14Š| ||
| 325 | T | 25.3 | Very low | 34.6 | Very low | 122 Ų | 122 | 103.9 Ų | 103.9 | 75% | 0.748 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 135.1 | 156.4 | 26.7 | 0 | 0 | 0 | 0 | 107.5 | A323 Q327 | A323-T325 PolarHBondContact O-N 2.82Å; T325-Q327 PolarHBondContact O-N 3Å |
| 326 | P | 24.6 | Very low | 36.2 | Very low | 124 Ų | 124 | 100.4 Ų | 100.4 | 81% | 0.805 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 116.9 | -178.4 | 23.4 | -31.4 | 0 | 0 | 0 | 109.1 | ||
| 327 | Q | 36.1 | Very low | 37.9 | Very low | 127 Ų | 127 | 92.4 Ų | 92.4 | 59% | 0.593 | 54% | 0.535 | S | S | * | . | P | Polyproline II helix | trans | -60 | 136.3 | 170.4 | -77 | 168.4 | -64.1 | 0 | 0 | 108.7 | T325 T329 E505 | T325-Q327 PolarHBondContact O-N 3Å; Q327-T329 PolarHBondContact O-N 2.81Å; Q327-E505 PolarHBondContact NE2-OE2 3.43Å; Q327-E505 PolarHBondContact OE1-OE1 3.34Å |
| 328 | P | 38.8 | Very low | 39.2 | Very low | 75 Ų | 75 | 92.3 Ų | 92.3 | 49% | 0.487 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 119.7 | -177.1 | 26.3 | -30.7 | 0 | 0 | 0 | 109.9 | ||
| 329 | T | 39.5 | Very low | 40.7 | Very low | 90 Ų | 90 | 86.5 Ų | 86.5 | 55% | 0.552 | 50% | 0.497 | S | S | * | . | P | Polyproline II helix | trans | -55.7 | 151.7 | 162.4 | 46 | 0 | 0 | 0 | 0 | 109.7 | Q327 S331 D334 | Q327-T329 PolarHBondContact O-N 2.81Å; T329-S331 PolarHBondContact O-N 2.92Å; T329-D334 PolarHBondContact OG1-OD2 3.47Å |
| 330 | I | 51.3 | Low | 41.9 | Very low | 19 Ų | 19 | 87.7 Ų | 87.7 | 10% | 0.097 | 48% | 0.476 | C | S | . | . | trans | -56 | 101.1 | 174.8 | -62.6 | 168.2 | 0 | 0 | 0 | 107.6 | G332 L333 Y394 | I330-G332 PolarHBondContact O-N 2.82Å; I330-L333 HydrophobicContact CB-CB 4.06Å; I330-L333 HydrophobicContact CG2-CB 4.12Å; I330-L333 WeakPolarHBondContact O-CB 3.34Å; I330-L333 PolarHBondContact O-N 2.83Å; I330-Y394 HydrophobicContact CD1-CD2 3.66Å; I330-Y394 HydrophobicContact CD1-CE2 3.25Å | ||
| 331 | S | 48.8 | Very low | 43.5 | Very low | 37 Ų | 37 | 85.1 Ų | 85.1 | 26% | 0.259 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62.7 | -16.4 | -167 | 83 | 0 | 0 | 0 | 0 | 114 | T329 | T329-S331 PolarHBondContact O-N 2.92Å |
| 332 | G | 50.5 | Low | 44.8 | Very low | 11 Ų | 11 | 87.5 Ų | 87.5 | 11% | 0.113 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -75.9 | -30.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | W209 I330 | W209-G332 WeakPolarHBondContact CZ2-O 3.25Å; I330-G332 PolarHBondContact O-N 2.82Å |
| 333 | L | 55.7 | Low | 46.2 | Very low | 23 Ų | 23 | 84.3 Ų | 84.3 | 12% | 0.12 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -73.8 | -32.8 | -176.5 | -153.5 | 78.4 | 0 | 0 | 0 | 111.8 | I330 H335 V336 I337 Y394 M468 | I330-L333 HydrophobicContact CB-CB 4.06Å; I330-L333 HydrophobicContact CG2-CB 4.12Å; I330-L333 WeakPolarHBondContact O-CB 3.34Å; I330-L333 PolarHBondContact O-N 2.83Å; L333-H335 VanDerWaalsContact C-N 3.28Å; L333-H335 PolarHBondContact O-N 2.98Å; L333-V336 WeakPolarHBondContact O-CB 3.34Å; L333-V336 PolarHBondContact O-N 2.82Å; L333-I337 HydrophobicContact CB-CD1 4.46Å; L333-I337 HydrophobicContact CD2-CD1 3.77Å; L333-I337 HydrophobicContact CG-CD1 3.87Å; L333-I337 HydrophobicContact CG-CG1 4.29Å; L333-I337 WeakPolarHBondContact O-CG1 3.42Å; L333-I337 PolarHBondContact O-N 2.91Å; L333-Y394 HydrophobicContact CD1-CD1 3.69Å; L333-Y394 HydrophobicContact CD1-CD2 4.19Å; L333-Y394 HydrophobicContact CD1-CE1 4.2Å; L333-Y394 HydrophobicContact CD1-CG 3.67Å; L333-Y394 HydrophobicContact CD2-CD1 4.5Å; L333-Y394 HydrophobicContact CD2-CE1 4.18Å; L333-M468 HydrophobicContact CD1-CE 3.3Å; L333-M468 HydrophobicContact CD1-SD 3.95Å; L333-M468 HydrophobicContact CD2-CE 4.19Å; L333-M468 HydrophobicContact CG-CE 3.57Å |
| 334 | D | 57.4 | Low | 47.9 | Very low | 58 Ų | 58 | 82 Ų | 82 | 31% | 0.31 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -58.6 | -40.5 | -179.6 | -68.1 | -30.4 | 0 | 0 | 0 | 111.6 | T329 I337 H338 | T329-D334 PolarHBondContact OG1-OD2 3.47Å; D334-I337 PolarHBondContact O-N 3.03Å; D334-H338 WeakPolarHBondContact O-CB 3.44Å; D334-H338 PolarHBondContact O-CD2 3.33Å; D334-H338 PolarHBondContact O-N 2.98Å |
| 335 | H | 56.2 | Low | 49.6 | Very low | 99 Ų | 99 | 74.8 Ų | 74.8 | 46% | 0.458 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 173.5 | -179.4 | -87.1 | 0 | 0 | 0 | 112 | L333 H338 S339 | L333-H335 VanDerWaalsContact C-N 3.28Å; L333-H335 PolarHBondContact O-N 2.98Å; H335-H338 PolarHBondContact O-N 3.18Å; H335-S339 WeakPolarHBondContact O-CB 3.31Å; H335-S339 PolarHBondContact O-N 3.3Å; H335-S339 PolarHBondContact O-OG 3.36Å |
| 336 | V | 57.3 | Low | 50.9 | Low | 0 Ų | 0 | 78.6 Ų | 78.6 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 178.5 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | W209 N212 M213 A247 L333 S339 R340 M468 | W209-V336 HydrophobicContact CE3-CG2 3.97Å; W209-V336 HydrophobicContact CH2-CG2 3.18Å; W209-V336 HydrophobicContact CZ2-CG2 3.79Å; W209-V336 HydrophobicContact CZ3-CG2 3.27Å; N212-V336 VanDerWaalsContact O-CG1 3.3Å; N212-V336 WeakPolarHBondContact O-CG1 3.36Å; N212-V336 WeakPolarHBondContact O-CG2 3.38Å; M213-V336 HydrophobicContact CG-CG1 4.48Å; A247-V336 HydrophobicContact CB-CG2 4.36Å; L333-V336 WeakPolarHBondContact O-CB 3.34Å; L333-V336 PolarHBondContact O-N 2.82Å; V336-S339 PolarHBondContact O-N 3.27Å; V336-R340 PolarHBondContact O-N 2.74Å; V336-M468 HydrophobicContact CB-CE 4.09Å; V336-M468 HydrophobicContact CG1-CE 3.58Å; V336-M468 HydrophobicContact CG1-SD 3.84Å |
| 337 | I | 58.9 | Low | 52.5 | Low | 61 Ų | 61 | 78.3 Ų | 78.3 | 31% | 0.313 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 179.9 | -67.6 | 167.7 | 0 | 0 | 0 | 110.4 | L333 D334 K341 M468 | L333-I337 HydrophobicContact CB-CD1 4.46Å; L333-I337 HydrophobicContact CD2-CD1 3.77Å; L333-I337 HydrophobicContact CG-CD1 3.87Å; L333-I337 HydrophobicContact CG-CG1 4.29Å; L333-I337 WeakPolarHBondContact O-CG1 3.42Å; L333-I337 PolarHBondContact O-N 2.91Å; D334-I337 PolarHBondContact O-N 3.03Å; I337-K341 PolarHBondContact O-N 2.75Å; I337-M468 HydrophobicContact CG1-CE 3.97Å |
| 338 | H | 55 | Low | 53.5 | Low | 116 Ų | 116 | 76 Ų | 76 | 54% | 0.537 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.8 | -43.5 | 177.3 | -83.8 | -65.9 | 0 | 0 | 0 | 112.6 | D334 H335 R340 K341 H342 | D334-H338 WeakPolarHBondContact O-CB 3.44Å; D334-H338 PolarHBondContact O-CD2 3.33Å; D334-H338 PolarHBondContact O-N 2.98Å; H335-H338 PolarHBondContact O-N 3.18Å; H338-R340 PolarHBondContact O-N 3.08Å; H338-K341 PolarHBondContact O-N 2.86Å; H338-H342 PolarHBondContact O-CD2 2.93Å |
| 339 | S | 54.8 | Low | 54.3 | Low | 28 Ų | 28 | 78.9 Ų | 78.9 | 20% | 0.196 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 177.5 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | N212 H335 V336 K341 H342 V343 | N212-S339 WeakPolarHBondContact OD1-CB 3.33Å; H335-S339 WeakPolarHBondContact O-CB 3.31Å; H335-S339 PolarHBondContact O-N 3.3Å; H335-S339 PolarHBondContact O-OG 3.36Å; V336-S339 PolarHBondContact O-N 3.27Å; S339-K341 PolarHBondContact O-N 2.93Å; S339-H342 PolarHBondContact O-N 3.45Å; S339-H342 VanDerWaalsContact O-N 3.08Å; S339-V343 WeakPolarHBondContact O-CG2 3.49Å; S339-V343 PolarHBondContact O-N 2.71Å |
| 340 | R | 53.7 | Low | 55.2 | Low | 108 Ų | 108 | 79 Ų | 79 | 41% | 0.408 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -58.3 | -30 | 175.1 | -97.4 | -171.6 | 170.6 | -174.7 | 1.3 | 113.8 | M213 V336 H338 H342 D466 | M213-R340 PolarHBondContact SD-NH2 3.49Å; V336-R340 PolarHBondContact O-N 2.74Å; H338-R340 PolarHBondContact O-N 3.08Å; R340-H342 VanDerWaalsContact C-N 3.27Å; R340-H342 PolarHBondContact O-N 3.29Å; R340-D466 IonicContact NH1-OD1 2.82Å; R340-D466 IonicContact NH1-OD2 2.68Å; R340-D466 IonicContact NH2-OD1 3.83Å |
| 341 | K | 55 | Low | 55.5 | Low | 148 Ų | 148 | 80.9 Ų | 80.9 | 64% | 0.643 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -17.5 | 179.2 | -72.4 | 176.8 | -178.7 | 175.8 | 0 | 113.6 | I337 H338 S339 | I337-K341 PolarHBondContact O-N 2.75Å; H338-K341 PolarHBondContact O-N 2.86Å; S339-K341 PolarHBondContact O-N 2.93Å |
| 342 | H | 49.4 | Very low | 55.6 | Low | 160 Ų | 160 | 82.1 Ų | 82.1 | 74% | 0.741 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | -4.3 | -170 | -72.3 | -65.9 | 0 | 0 | 0 | 115.3 | H338 S339 R340 | H338-H342 PolarHBondContact O-CD2 2.93Å; S339-H342 PolarHBondContact O-N 3.45Å; S339-H342 VanDerWaalsContact O-N 3.08Å; R340-H342 VanDerWaalsContact C-N 3.27Å; R340-H342 PolarHBondContact O-N 3.29Å |
| 343 | V | 55 | Low | 55.6 | Low | 41 Ų | 41 | 87.1 Ų | 87.1 | 25% | 0.248 | 43% | 0.433 | C | S | . | . | trans | -88.7 | 127 | -174.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | N212 S339 E347 L348 | N212-V343 WeakPolarHBondContact ND2-CG2 3.28Å; S339-V343 WeakPolarHBondContact O-CG2 3.49Å; S339-V343 PolarHBondContact O-N 2.71Å; V343-E347 HydrophobicContact CG1-CB 3.6Å; V343-L348 HydrophobicContact CG1-CB 4.18Å; V343-L348 HydrophobicContact CG1-CD1 4.45Å | ||
| 344 | G | 58.2 | Low | 55.4 | Low | 36 Ų | 36 | 88.8 Ų | 88.8 | 37% | 0.371 | 44% | 0.444 | S | S | . | . | trans | -70.1 | 151.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | R346 E347 L348 | G344-R346 PolarHBondContact O-N 2.85Å; G344-E347 PolarHBondContact N-OE2 3.26Å; G344-E347 PolarHBondContact O-N 3.36Å; G344-L348 PolarHBondContact O-N 3.04Å | ||
| 345 | A | 59.2 | Low | 55 | Low | 87 Ų | 87 | 87.9 Ų | 87.9 | 72% | 0.719 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -52.3 | -29.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q349 | A345-Q349 WeakPolarHBondContact O-CB 3.44Å; A345-Q349 PolarHBondContact O-N 2.82Å; A345-Q349 VanDerWaalsContact O-N 3.11Å |
| 346 | R | 54.2 | Low | 54.5 | Low | 203 Ų | 203 | 88.4 Ų | 88.4 | 77% | 0.766 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -76.4 | -37.8 | 178.3 | -171.3 | 165.7 | -178.6 | 173.3 | -1.3 | 113.5 | G344 Q349 I350 | G344-R346 PolarHBondContact O-N 2.85Å; R346-Q349 PolarHBondContact O-N 3.41Å; R346-I350 HydrophobicContact CG-CD1 4.4Å; R346-I350 VanDerWaalsContact O-CG1 3.32Å; R346-I350 WeakPolarHBondContact O-CG1 3.19Å; R346-I350 PolarHBondContact O-N 3.05Å |
| 347 | E | 58.6 | Low | 54 | Low | 117 Ų | 117 | 94.2 Ų | 94.2 | 55% | 0.547 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.5 | -41.3 | 173.5 | -81.9 | 166.2 | 152.3 | 0 | 0 | 110.6 | V343 G344 Q349 I350 E351 | V343-E347 HydrophobicContact CG1-CB 3.6Å; G344-E347 PolarHBondContact N-OE2 3.26Å; G344-E347 PolarHBondContact O-N 3.36Å; E347-Q349 PolarHBondContact O-N 3.1Å; E347-I350 PolarHBondContact O-N 3.42Å; E347-E351 WeakPolarHBondContact O-CB 3.44Å; E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 2.9Å |
| 348 | L | 56.5 | Low | 53.3 | Low | 78 Ų | 78 | 94.8 Ų | 94.8 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.8 | -37.8 | 173.3 | -162.8 | 76.4 | 0 | 0 | 0 | 111.2 | V343 G344 T352 | V343-L348 HydrophobicContact CG1-CB 4.18Å; V343-L348 HydrophobicContact CG1-CD1 4.45Å; G344-L348 PolarHBondContact O-N 3.04Å; L348-T352 WeakPolarHBondContact O-CB 3.46Å; L348-T352 PolarHBondContact O-N 3.4Å; L348-T352 PolarHBondContact O-OG1 3.25Å |
| 349 | Q | 55 | Low | 52.6 | Low | 137 Ų | 137 | 91.1 Ų | 91.1 | 64% | 0.64 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.2 | -40.9 | 177.3 | -159.7 | 172 | 23 | 0 | 0 | 112.2 | A345 R346 E347 T352 Q353 | A345-Q349 WeakPolarHBondContact O-CB 3.44Å; A345-Q349 PolarHBondContact O-N 2.82Å; A345-Q349 VanDerWaalsContact O-N 3.11Å; R346-Q349 PolarHBondContact O-N 3.41Å; E347-Q349 PolarHBondContact O-N 3.1Å; Q349-T352 PolarHBondContact O-N 2.91Å; Q349-Q353 VanDerWaalsContact O-CB 3.28Å; Q349-Q353 WeakPolarHBondContact O-CB 3.37Å; Q349-Q353 PolarHBondContact O-N 3.14Å |
| 350 | I | 59.4 | Low | 51.9 | Low | 91 Ų | 91 | 99.2 Ų | 99.2 | 47% | 0.467 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.6 | -46.7 | 175.1 | -68.7 | 166.7 | 0 | 0 | 0 | 110.6 | R346 E347 T352 Q353 V354 | R346-I350 HydrophobicContact CG-CD1 4.4Å; R346-I350 VanDerWaalsContact O-CG1 3.32Å; R346-I350 WeakPolarHBondContact O-CG1 3.19Å; R346-I350 PolarHBondContact O-N 3.05Å; E347-I350 PolarHBondContact O-N 3.42Å; I350-T352 VanDerWaalsContact C-N 3.33Å; I350-T352 PolarHBondContact O-N 3Å; I350-Q353 CarbonylContact O-C 3.55Å; I350-Q353 WeakPolarHBondContact O-CB 3.49Å; I350-Q353 PolarHBondContact O-N 3.27Å; I350-Q353 VanDerWaalsContact O-N 3.14Å; I350-V354 HydrophobicContact CG2-CG2 4.36Å; I350-V354 WeakPolarHBondContact O-CB 3.5Å; I350-V354 VanDerWaalsContact O-CG2 3.31Å; I350-V354 WeakPolarHBondContact O-CG2 3.26Å; I350-V354 PolarHBondContact O-N 2.89Å |
| 351 | E | 56.5 | Low | 51.2 | Low | 59 Ų | 59 | 97.2 Ų | 97.2 | 28% | 0.276 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -41 | 175 | -76.4 | -172.8 | 144.5 | 0 | 0 | 111.8 | N212 E347 Q353 V354 A355 | N212-E351 WeakPolarHBondContact CB-OE2 3.29Å; N212-E351 PolarHBondContact ND2-OE1 3.31Å; N212-E351 PolarHBondContact ND2-OE2 2.52Å; E347-E351 WeakPolarHBondContact O-CB 3.44Å; E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 2.9Å; E351-Q353 VanDerWaalsContact C-N 3.29Å; E351-Q353 PolarHBondContact O-N 2.97Å; E351-V354 PolarHBondContact O-N 2.81Å; E351-A355 WeakPolarHBondContact O-CB 3.46Å; E351-A355 PolarHBondContact O-N 2.89Å |
| 352 | T | 50.9 | Low | 50.7 | Low | 63 Ų | 63 | 99 Ų | 99 | 39% | 0.387 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 174 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | L348 Q349 I350 Q356 | L348-T352 WeakPolarHBondContact O-CB 3.46Å; L348-T352 PolarHBondContact O-N 3.4Å; L348-T352 PolarHBondContact O-OG1 3.25Å; Q349-T352 PolarHBondContact O-N 2.91Å; I350-T352 VanDerWaalsContact C-N 3.33Å; I350-T352 PolarHBondContact O-N 3Å; T352-Q356 HydrophobicContact CG2-CG 4.34Å; T352-Q356 WeakPolarHBondContact O-CB 3.44Å; T352-Q356 WeakPolarHBondContact O-CG 3.41Å; T352-Q356 PolarHBondContact O-N 3.28Å |
| 353 | Q | 50.9 | Low | 50.4 | Low | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.2 | -37.7 | 177.5 | -152.1 | 172.9 | 21.4 | 0 | 0 | 111.7 | Q349 I350 E351 Q356 M357 | Q349-Q353 VanDerWaalsContact O-CB 3.28Å; Q349-Q353 WeakPolarHBondContact O-CB 3.37Å; Q349-Q353 PolarHBondContact O-N 3.14Å; I350-Q353 CarbonylContact O-C 3.55Å; I350-Q353 WeakPolarHBondContact O-CB 3.49Å; I350-Q353 PolarHBondContact O-N 3.27Å; I350-Q353 VanDerWaalsContact O-N 3.14Å; E351-Q353 VanDerWaalsContact C-N 3.29Å; E351-Q353 PolarHBondContact O-N 2.97Å; Q353-Q356 PolarHBondContact O-N 3.39Å; Q353-M357 WeakPolarHBondContact O-CB 3.14Å; Q353-M357 VanDerWaalsContact O-CG 3.26Å; Q353-M357 WeakPolarHBondContact O-CG 3.15Å; Q353-M357 PolarHBondContact O-N 2.93Å |
| 354 | V | 51.4 | Low | 50 | Low | 58 Ų | 58 | 97.3 Ų | 97.3 | 35% | 0.352 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.2 | -44.3 | 172.9 | 171 | 0 | 0 | 0 | 0 | 110.6 | I350 E351 Q356 M357 M358 | I350-V354 HydrophobicContact CG2-CG2 4.36Å; I350-V354 WeakPolarHBondContact O-CB 3.5Å; I350-V354 VanDerWaalsContact O-CG2 3.31Å; I350-V354 WeakPolarHBondContact O-CG2 3.26Å; I350-V354 PolarHBondContact O-N 2.89Å; E351-V354 PolarHBondContact O-N 2.81Å; V354-Q356 VanDerWaalsContact C-N 3.31Å; V354-Q356 PolarHBondContact O-N 3.18Å; V354-M357 HydrophobicContact CG2-CE 4.47Å; V354-M357 CarbonylContact O-C 3.59Å; V354-M357 PolarHBondContact O-N 3.45Å; V354-M358 HydrophobicContact CG1-CE 3.93Å; V354-M358 HydrophobicContact CG1-CG 4.26Å; V354-M358 HydrophobicContact CG1-SD 4.45Å; V354-M358 VanDerWaalsContact O-CB 3.29Å; V354-M358 WeakPolarHBondContact O-CB 3.45Å; V354-M358 VanDerWaalsContact O-CG 3.3Å; V354-M358 WeakPolarHBondContact O-CG 3.44Å; V354-M358 PolarHBondContact O-N 3.25Å |
| 355 | A | 49.3 | Very low | 49.3 | Very low | 39 Ų | 39 | 99 Ų | 99 | 32% | 0.322 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -32.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T214 E351 G359 | T214-A355 HydrophobicContact CG2-CB 4.09Å; E351-A355 WeakPolarHBondContact O-CB 3.46Å; E351-A355 PolarHBondContact O-N 2.89Å; A355-G359 VanDerWaalsContact O-CA 3.29Å; A355-G359 WeakPolarHBondContact O-CA 3.41Å; A355-G359 PolarHBondContact O-N 2.98Å |
| 356 | Q | 46 | Very low | 48.8 | Very low | 111 Ų | 111 | 97.2 Ų | 97.2 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -73.3 | -36.9 | 171.5 | -78 | 172.3 | 0.9 | 0 | 0 | 112 | T352 Q353 V354 R360 | T352-Q356 HydrophobicContact CG2-CG 4.34Å; T352-Q356 WeakPolarHBondContact O-CB 3.44Å; T352-Q356 WeakPolarHBondContact O-CG 3.41Å; T352-Q356 PolarHBondContact O-N 3.28Å; Q353-Q356 PolarHBondContact O-N 3.39Å; V354-Q356 VanDerWaalsContact C-N 3.31Å; V354-Q356 PolarHBondContact O-N 3.18Å; Q356-R360 WeakPolarHBondContact O-CB 3.48Å; Q356-R360 WeakPolarHBondContact O-CG 3.42Å; Q356-R360 PolarHBondContact O-N 3.41Å |
| 357 | M | 45.9 | Very low | 48.4 | Very low | 122 Ų | 122 | 90.3 Ų | 90.3 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70.8 | -40.5 | 174 | -76.2 | -165 | -57.6 | 0 | 0 | 111.8 | Q353 V354 R360 | Q353-M357 WeakPolarHBondContact O-CB 3.14Å; Q353-M357 VanDerWaalsContact O-CG 3.26Å; Q353-M357 WeakPolarHBondContact O-CG 3.15Å; Q353-M357 PolarHBondContact O-N 2.93Å; V354-M357 HydrophobicContact CG2-CE 4.47Å; V354-M357 CarbonylContact O-C 3.59Å; V354-M357 PolarHBondContact O-N 3.45Å; M357-R360 PolarHBondContact O-N 3.24Å |
| 358 | M | 43.8 | Very low | 47.8 | Very low | 73 Ų | 73 | 89.1 Ų | 89.1 | 36% | 0.36 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -32.6 | 173.4 | -69.8 | -156.8 | -173.8 | 0 | 0 | 111.9 | V354 R360 A361 | V354-M358 HydrophobicContact CG1-CE 3.93Å; V354-M358 HydrophobicContact CG1-CG 4.26Å; V354-M358 HydrophobicContact CG1-SD 4.45Å; V354-M358 VanDerWaalsContact O-CB 3.29Å; V354-M358 WeakPolarHBondContact O-CB 3.45Å; V354-M358 VanDerWaalsContact O-CG 3.3Å; V354-M358 WeakPolarHBondContact O-CG 3.44Å; V354-M358 PolarHBondContact O-N 3.25Å; M358-R360 VanDerWaalsContact C-N 3.29Å; M358-R360 PolarHBondContact O-N 2.88Å; M358-A361 CarbonylContact O-C 3.59Å; M358-A361 WeakPolarHBondContact O-CA 3.09Å; M358-A361 WeakPolarHBondContact O-CB 3.49Å; M358-A361 PolarHBondContact O-N 3.23Å; M358-A361 VanDerWaalsContact O-N 3.15Å |
| 359 | G | 41.1 | Very low | 47.1 | Very low | 39 Ų | 39 | 88.6 Ų | 88.6 | 40% | 0.402 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -74.6 | -16.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | A355 | A355-G359 VanDerWaalsContact O-CA 3.29Å; A355-G359 WeakPolarHBondContact O-CA 3.41Å; A355-G359 PolarHBondContact O-N 2.98Å |
| 360 | R | 39.9 | Very low | 46.7 | Very low | 197 Ų | 197 | 86.3 Ų | 86.3 | 74% | 0.743 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -77.5 | -22.1 | 166.5 | -77.5 | 170.4 | -175.3 | -167.7 | 2.5 | 112.3 | Q356 M357 M358 Y362 | Q356-R360 WeakPolarHBondContact O-CB 3.48Å; Q356-R360 WeakPolarHBondContact O-CG 3.42Å; Q356-R360 PolarHBondContact O-N 3.41Å; M357-R360 PolarHBondContact O-N 3.24Å; M358-R360 VanDerWaalsContact C-N 3.29Å; M358-R360 PolarHBondContact O-N 2.88Å; R360-Y362 VanDerWaalsContact C-N 3.31Å; R360-Y362 PolarHBondContact O-N 3.2Å |
| 361 | A | 39.8 | Very low | 46.2 | Very low | 66 Ų | 66 | 86.2 Ų | 86.2 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | S | Bend | trans | -88.8 | 75.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | M358 | M358-A361 CarbonylContact O-C 3.59Å; M358-A361 WeakPolarHBondContact O-CA 3.09Å; M358-A361 WeakPolarHBondContact O-CB 3.49Å; M358-A361 PolarHBondContact O-N 3.23Å; M358-A361 VanDerWaalsContact O-N 3.15Å |
| 362 | Y | 43.1 | Very low | 45.6 | Very low | 187 Ų | 187 | 88.2 Ų | 88.2 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | trans | -38.2 | 144.2 | 172.8 | -69.8 | -90.5 | 0 | 0 | 0 | 111.1 | R360 K364 | R360-Y362 VanDerWaalsContact C-N 3.31Å; R360-Y362 PolarHBondContact O-N 3.2Å; Y362-K364 PolarHBondContact O-N 3.42Å | ||
| 363 | T | 43.9 | Very low | 45.3 | Very low | 47 Ų | 47 | 90.7 Ų | 90.7 | 29% | 0.288 | 50% | 0.496 | S | S | . | . | S | Bend | trans | -48.7 | 104.4 | 141.8 | 42.5 | 0 | 0 | 0 | 0 | 104.4 | Q243 A365 | Q243-T363 HydrophobicContact CB-CG2 4.25Å; T363-A365 PolarHBondContact O-N 2.93Å; T363-A365 VanDerWaalsContact O-N 3.08Å |
| 364 | K | 45.5 | Very low | 45 | Very low | 117 Ų | 117 | 87.4 Ų | 87.4 | 51% | 0.509 | 49% | 0.486 | S | S | . | . | trans | -38 | 123.3 | -171 | -147.4 | 174 | -171.7 | 167 | 0 | 107.3 | Y362 E424 S428 | Y362-K364 PolarHBondContact O-N 3.42Å; K364-E424 IonicContact NZ-OE1 3.31Å; K364-E424 PolarHBondContact NZ-OE1 2.97Å; K364-S428 VanDerWaalsContact CB-CB 3.5Å | ||
| 365 | A | 44.1 | Very low | 44.7 | Very low | 71 Ų | 71 | 92.2 Ų | 92.2 | 59% | 0.587 | 50% | 0.504 | S | S | * | . | trans | -46.5 | 138.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | T363 D367 | T363-A365 PolarHBondContact O-N 2.93Å; T363-A365 VanDerWaalsContact O-N 3.08Å; A365-D367 PolarHBondContact O-N 3.09Å | ||
| 366 | P | 49.4 | Very low | 44.1 | Very low | 50 Ų | 50 | 97.1 Ų | 97.1 | 33% | 0.325 | 53% | 0.533 | S | S | . | . | trans | -47.1 | 119.1 | -174.8 | 16.4 | -29.5 | 0 | 0 | 0 | 108.3 | P368 D430 | P366-P368 WeakPolarHBondContact O-CD 3.19Å; P366-D430 WeakPolarHBondContact CB-O 3.42Å | ||
| 367 | D | 44.9 | Very low | 44.1 | Very low | 59 Ų | 59 | 95.6 Ų | 95.6 | 32% | 0.316 | 55% | 0.547 | S | S | . | . | trans | -62.4 | 113.3 | -169.8 | -173.3 | -22.7 | 0 | 0 | 0 | 107.6 | A365 S369 L370 | A365-D367 PolarHBondContact O-N 3.09Å; D367-S369 PolarHBondContact O-N 2.9Å; D367-S369 VanDerWaalsContact OD1-CB 3.27Å; D367-S369 WeakPolarHBondContact OD1-CB 3.24Å; D367-S369 PolarHBondContact OD1-N 2.71Å; D367-S369 PolarHBondContact OD1-OG 3.45Å; D367-S369 PolarHBondContact OD2-OG 3.47Å; D367-L370 HydrophobicContact CB-CB 4.43Å; D367-L370 HydrophobicContact CB-CD1 3.83Å; D367-L370 HydrophobicContact CB-CG 3.95Å; D367-L370 WeakPolarHBondContact O-CB 3.35Å; D367-L370 PolarHBondContact O-N 2.96Å | ||
| 368 | P | 45.8 | Very low | 44.3 | Very low | 92 Ų | 92 | 94.5 Ų | 94.5 | 60% | 0.597 | 54% | 0.541 | S | S | * | . | G | 310 helix | trans | -62.8 | -18.5 | -176.4 | 24 | -31.3 | 0 | 0 | 0 | 111.7 | P366 L370 I371 | P366-P368 WeakPolarHBondContact O-CD 3.19Å; P368-L370 VanDerWaalsContact C-N 3.31Å; P368-I371 PolarHBondContact O-N 3.46Å |
| 369 | S | 43.5 | Very low | 44.7 | Very low | 67 Ų | 67 | 93.7 Ų | 93.7 | 47% | 0.469 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -70.5 | -24.2 | 173.1 | 73.1 | 0 | 0 | 0 | 0 | 113.6 | D367 N372 | D367-S369 PolarHBondContact O-N 2.9Å; D367-S369 VanDerWaalsContact OD1-CB 3.27Å; D367-S369 WeakPolarHBondContact OD1-CB 3.24Å; D367-S369 PolarHBondContact OD1-N 2.71Å; D367-S369 PolarHBondContact OD1-OG 3.45Å; D367-S369 PolarHBondContact OD2-OG 3.47Å; S369-N372 WeakPolarHBondContact O-CB 3.48Å; S369-N372 PolarHBondContact O-N 3.03Å |
| 370 | L | 46.3 | Very low | 45.7 | Very low | 89 Ų | 89 | 97 Ų | 97 | 47% | 0.466 | 56% | 0.556 | S | S | . | * | G | 310 helix | trans | -83.4 | -12.3 | 175.7 | -63.9 | 174.8 | 0 | 0 | 0 | 113.2 | D367 P368 D430 | D367-L370 HydrophobicContact CB-CB 4.43Å; D367-L370 HydrophobicContact CB-CD1 3.83Å; D367-L370 HydrophobicContact CB-CG 3.95Å; D367-L370 WeakPolarHBondContact O-CB 3.35Å; D367-L370 PolarHBondContact O-N 2.96Å; P368-L370 VanDerWaalsContact C-N 3.31Å; L370-D430 WeakPolarHBondContact CD1-OD1 3.34Å |
| 371 | I | 48.7 | Very low | 47.2 | Very low | 89 Ų | 89 | 91.8 Ų | 91.8 | 46% | 0.456 | 54% | 0.543 | S | S | . | . | S | Bend | trans | -85.1 | -16.4 | 172.4 | -55.9 | 175.6 | 0 | 0 | 0 | 110.8 | P368 | P368-I371 PolarHBondContact O-N 3.46Š|
| 372 | N | 42.7 | Very low | 49.3 | Very low | 100 Ų | 100 | 91 Ų | 91 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | S | Bend | trans | -63.7 | 144.6 | 176.6 | -71.1 | -32 | 0 | 0 | 0 | 110.6 | S369 S374 | S369-N372 WeakPolarHBondContact O-CB 3.48Å; S369-N372 PolarHBondContact O-N 3.03Å; N372-S374 PolarHBondContact O-N 3.11Å |
| 373 | P | 45.4 | Very low | 51.6 | Low | 116 Ų | 116 | 82.8 Ų | 82.8 | 75% | 0.753 | 50% | 0.496 | S | S | * | . | trans | -52.9 | 139.7 | 169.3 | 22.7 | -30.7 | 0 | 0 | 0 | 108.7 | E375 | P373-E375 PolarHBondContact O-N 2.96Š| ||
| 374 | S | 45.1 | Very low | 53.9 | Low | 47 Ų | 47 | 81.3 Ų | 81.3 | 33% | 0.329 | 49% | 0.486 | S | S | . | . | trans | -45.2 | 140.4 | -179.9 | 14.8 | 0 | 0 | 0 | 0 | 110.4 | N372 | N372-S374 PolarHBondContact O-N 3.11Š| ||
| 375 | E | 44.6 | Very low | 56.3 | Low | 158 Ų | 158 | 75.7 Ų | 75.7 | 74% | 0.738 | 46% | 0.461 | S | S | * | . | trans | -50.4 | 140.7 | 164.9 | -69.3 | -161.8 | 162.6 | 0 | 0 | 109 | P373 G377 E378 | P373-E375 PolarHBondContact O-N 2.96Å; E375-G377 PolarHBondContact O-N 3.22Å; E375-E378 PolarHBondContact O-N 2.99Å; E375-E378 VanDerWaalsContact O-N 3.08Å | ||
| 376 | P | 37.7 | Very low | 58.8 | Low | 142 Ų | 142 | 72.3 Ų | 72.3 | 92% | 0.922 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 101.4 | -178.8 | 24.6 | -33.1 | 0 | 0 | 0 | 109.5 | ||
| 377 | G | 45.3 | Very low | 60.9 | Low | 79 Ų | 79 | 70 Ų | 70 | 81% | 0.814 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 136.3 | -21.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | E375 G379 | E375-G377 PolarHBondContact O-N 3.22Å; G377-G379 PolarHBondContact O-N 2.89Å |
| 378 | E | 50.8 | Low | 63.3 | Low | 100 Ų | 100 | 67.3 Ų | 67.3 | 47% | 0.467 | 40% | 0.404 | S | S | . | . | S | Bend | trans | -74.4 | 111.6 | 167.3 | -85.3 | -161.1 | -171.7 | 0 | 0 | 109 | E375 R403 | E375-E378 PolarHBondContact O-N 2.99Å; E375-E378 VanDerWaalsContact O-N 3.08Å; E378-R403 IonicContact OE2-CZ 3.31Å; E378-R403 IonicContact OE2-NH1 3.79Å; E378-R403 PolarHBondContact OE2-NH1 2.97Å; E378-R403 IonicContact OE2-NH2 3.58Å; E378-R403 PolarHBondContact OE2-NH2 2.87Å; E378-R403 VanDerWaalsContact OE2-NH2 3.12Å |
| 379 | G | 52 | Low | 65.5 | Low | 56 Ų | 56 | 63.4 Ų | 63.4 | 58% | 0.577 | 38% | 0.378 | S | S | * | . | trans | -48.5 | 144 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G377 D381 | G377-G379 PolarHBondContact O-N 2.89Å; G379-D381 PolarHBondContact O-N 3.3Å | ||
| 380 | E | 60.6 | Low | 67.6 | Low | 107 Ų | 107 | 60.3 Ų | 60.3 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -65.6 | 1.7 | -173.1 | -63.6 | 172.7 | 144.9 | 0 | 0 | 115.4 | R260 | R260-E380 WeakPolarHBondContact CD-OE2 3.46Å; R260-E380 HydrophobicContact CG-CB 4.03Å; R260-E380 WeakPolarHBondContact CG-OE2 3.47Å; R260-E380 IonicContact CZ-OE2 3.79Å; R260-E380 IonicContact NE-OE2 3.71Å; R260-E380 PolarHBondContact NE-OE2 3.44Å; R260-E380 IonicContact NH2-OE2 3.24Å |
| 381 | D | 72.8 | Confident | 69.4 | Low | 89 Ų | 89 | 57.8 Ų | 57.8 | 48% | 0.476 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 99.5 | -174.3 | -70.3 | -11.5 | 0 | 0 | 0 | 110.6 | R259 G379 | R259-D381 VanDerWaalsContact CA-OD1 3.26Å; R259-D381 WeakPolarHBondContact CA-OD1 3.26Å; R259-D381 WeakPolarHBondContact CB-OD1 3.43Å; R259-D381 HydrophobicContact CG-CB 4.25Å; G379-D381 PolarHBondContact O-N 3.3Å |
| 382 | K | 83.8 | Confident | 71.1 | Confident | 48 Ų | 48 | 57.5 Ų | 57.5 | 21% | 0.209 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 131.4 | 177 | -58.9 | -175.4 | -175.1 | -178.6 | 0 | 110 | C258 Y384 | C258-K382 WeakPolarHBondContact CA-O 3.41Å; C258-K382 HydrophobicContact CB-CB 4.3Å; C258-K382 VanDerWaalsContact CB-O 3.26Å; C258-K382 WeakPolarHBondContact CB-O 3.15Å; C258-K382 PolarHBondContact N-O 2.94Å; C258-K382 PolarHBondContact O-N 3.03Å; K382-Y384 HydrophobicContact CB-CE2 3.93Å; K382-Y384 HydrophobicContact CD-CE2 4.29Å; K382-Y384 WeakPolarHBondContact CD-OH 2.82Å |
| 383 | T | 90.6 | Very high | 73.1 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 9% | 0.092 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 120.4 | 168.5 | -61.8 | 0 | 0 | 0 | 0 | 108.6 | L197 V255 A256 H257 R403 I404 M409 | L197-T383 HydrophobicContact CD1-CG2 4.24Å; V255-T383 HydrophobicContact CG1-CG2 3.68Å; A256-T383 WeakPolarHBondContact O-CA 3.48Å; H257-T383 PolarHBondContact ND1-OG1 3.38Å; T383-R403 WeakPolarHBondContact O-CA 3.44Å; T383-I404 HydrophobicContact CG2-CB 4.32Å; T383-I404 HydrophobicContact CG2-CD1 4.35Å; T383-I404 PolarHBondContact O-N 2.86Å; T383-M409 VanDerWaalsContact CB-CE 3.46Å; T383-M409 HydrophobicContact CG2-CE 3.94Å; T383-M409 WeakPolarHBondContact OG1-CE 3.19Å |
| 384 | Y | 93.3 | Very high | 74.8 | Confident | 16 Ų | 16 | 47.5 Ų | 47.5 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 139.1 | 176 | -64 | -64.6 | 0 | 0 | 0 | 111 | V255 A256 K382 I401 K402 R403 | V255-Y384 WeakPolarHBondContact CA-O 3.44Å; A256-Y384 PolarHBondContact N-O 3.32Å; A256-Y384 PolarHBondContact O-N 3.23Å; K382-Y384 HydrophobicContact CB-CE2 3.93Å; K382-Y384 HydrophobicContact CD-CE2 4.29Å; K382-Y384 WeakPolarHBondContact CD-OH 2.82Å; Y384-I401 HydrophobicContact CD1-CG2 3.81Å; Y384-I401 HydrophobicContact CE1-CG2 4.37Å; Y384-I401 HydrophobicContact CG-CG2 4.05Å; Y384-K402 CarbonylContact C-O 3.46Å; Y384-K402 WeakPolarHBondContact CA-O 3.11Å; Y384-R403 HydrophobicContact CD1-CB 4.01Å; Y384-R403 HydrophobicContact CD1-CG 4.5Å; Y384-R403 HydrophobicContact CE1-CB 3.96Å; Y384-R403 HydrophobicContact CE1-CG 4.31Å |
| 385 | L | 95.4 | Very high | 76.7 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 121.3 | 159.7 | -166.8 | 59.9 | 0 | 0 | 0 | 107.9 | I203 L219 L239 F240 V253 V255 F387 K402 I404 | I203-L385 HydrophobicContact CD1-CD1 3.59Å; L219-L385 HydrophobicContact CD1-CD2 3.52Å; L239-L385 HydrophobicContact CD2-CD2 4.24Å; F240-L385 HydrophobicContact CD2-CD2 3.68Å; F240-L385 HydrophobicContact CE2-CD2 3.87Å; V253-L385 HydrophobicContact CG1-CD1 3.39Å; V253-L385 HydrophobicContact CG1-CG 4.14Å; V255-L385 HydrophobicContact CG2-CD1 4.01Å; L385-F387 HydrophobicContact CG-CD1 4.24Å; L385-K402 HydrophobicContact CB-CB 4.46Å; L385-K402 WeakPolarHBondContact CB-O 3.38Å; L385-K402 PolarHBondContact N-O 3.11Å; L385-K402 PolarHBondContact O-N 3.02Å; L385-I404 HydrophobicContact CB-CD1 4Å; L385-I404 HydrophobicContact CB-CG1 4.08Å; L385-I404 HydrophobicContact CD1-CD1 4.39Å |
| 386 | L | 96 | Very high | 78.9 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 136.7 | 176.8 | -51.9 | 176.1 | 0 | 0 | 0 | 107.8 | M254 A256 G400 I401 L444 L451 L484 | M254-L386 HydrophobicContact CB-CB 4.44Å; M254-L386 PolarHBondContact N-O 3.4Å; M254-L386 PolarHBondContact O-N 3.11Å; A256-L386 HydrophobicContact CB-CD1 3.8Å; A256-L386 HydrophobicContact CB-CG 4.32Å; L386-G400 WeakPolarHBondContact CA-O 3.45Å; L386-I401 HydrophobicContact CD2-CB 4.25Å; L386-I401 HydrophobicContact CD2-CD1 4.18Å; L386-I401 HydrophobicContact CD2-CG1 3.79Å; L386-I401 HydrophobicContact CD2-CG2 3.91Å; L386-L444 HydrophobicContact CD1-CD2 3.9Å; L386-L451 HydrophobicContact CD1-CD1 4.23Å; L386-L451 HydrophobicContact CD1-CD2 4.25Å; L386-L484 HydrophobicContact CD1-CD1 3.98Å; L386-L484 HydrophobicContact CD1-CD2 4.31Å; L386-L484 HydrophobicContact CD2-CD2 4.22Å |
| 387 | F | 94.7 | Very high | 81.4 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 151.4 | 176.1 | 56.1 | -89.6 | 0 | 0 | 0 | 112 | I242 I250 T252 V253 L385 T389 I399 G400 L429 | I242-F387 HydrophobicContact CD1-CE1 3.78Å; I242-F387 HydrophobicContact CD1-CE2 4Å; I242-F387 HydrophobicContact CD1-CZ 3.39Å; I250-F387 HydrophobicContact CB-CD2 4.3Å; I250-F387 HydrophobicContact CD1-CD2 3.6Å; I250-F387 HydrophobicContact CD1-CE2 3.56Å; I250-F387 HydrophobicContact CD1-CG 4.25Å; I250-F387 HydrophobicContact CD1-CZ 4.19Å; I250-F387 HydrophobicContact CG1-CD2 3.68Å; I250-F387 HydrophobicContact CG1-CE2 3.92Å; I250-F387 HydrophobicContact CG2-CB 3.75Å; I250-F387 HydrophobicContact CG2-CD2 3.81Å; I250-F387 HydrophobicContact CG2-CG 3.93Å; T252-F387 VanDerWaalsContact O-CA 3.3Å; T252-F387 WeakPolarHBondContact O-CA 3.31Å; V253-F387 HydrophobicContact CG2-CB 4.17Å; L385-F387 HydrophobicContact CG-CD1 4.24Å; F387-T389 HydrophobicContact CE2-CG2 4.19Å; F387-I399 CarbonylContact O-C 3.51Å; F387-I399 WeakPolarHBondContact O-CA 3.37Å; F387-G400 PolarHBondContact N-O 3.1Å; F387-G400 PolarHBondContact O-N 3.06Å; F387-L429 HydrophobicContact CE1-CD2 4.45Å; F387-L429 HydrophobicContact CE2-CD1 4.5Å; F387-L429 HydrophobicContact CZ-CD1 4.17Å; F387-L429 HydrophobicContact CZ-CD2 3.67Å |
| 388 | T | 93.7 | Very high | 83.7 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 3% | 0.025 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 142.8 | 172.3 | 67.4 | 0 | 0 | 0 | 0 | 110.2 | I250 R251 Q398 I439 M442 | I250-T388 VanDerWaalsContact CA-O 3.28Å; I250-T388 WeakPolarHBondContact CA-O 3.15Å; R251-T388 WeakPolarHBondContact CA-OG1 3.44Å; R251-T388 WeakPolarHBondContact CB-OG1 3.21Å; R251-T388 PolarHBondContact N-O 2.77Å; R251-T388 VanDerWaalsContact N-O 3.16Å; R251-T388 PolarHBondContact N-OG1 2.73Å; R251-T388 PolarHBondContact O-N 3.44Å; R251-T388 PolarHBondContact O-OG1 2.78Å; T388-Q398 CarbonylContact C-O 3.53Å; T388-Q398 WeakPolarHBondContact CA-O 3.23Å; T388-I439 HydrophobicContact CG2-CB 4.24Å; T388-I439 HydrophobicContact CG2-CD1 4.31Å; T388-I439 HydrophobicContact CG2-CG2 3.68Å; T388-M442 HydrophobicContact CG2-CG 4.4Å; T388-M442 HydrophobicContact CG2-SD 3.27Å; T388-M442 WeakPolarHBondContact CG2-SD 3.19Å |
| 389 | T | 91.9 | Very high | 85.8 | Confident | 9 Ų | 9 | 24.7 Ų | 24.7 | 6% | 0.055 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | -168.1 | 177.4 | -169.4 | 0 | 0 | 0 | 0 | 109 | F387 P396 H397 Q398 | F387-T389 HydrophobicContact CE2-CG2 4.19Å; T389-P396 CarbonylContact O-C 3.56Å; T389-P396 VanDerWaalsContact O-CA 3.24Å; T389-P396 WeakPolarHBondContact O-CA 3.37Å; T389-H397 PolarHBondContact O-N 3.45Å; T389-Q398 HydrophobicContact CG2-CB 3.84Å; T389-Q398 PolarHBondContact N-O 3.24Å; T389-Q398 PolarHBondContact O-N 2.76Å |
| 390 | G | 87.8 | Confident | 87.8 | Confident | 3 Ų | 3 | 22 Ų | 22 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | trans | -174.7 | 156.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S248 H397 Q398 | S248-G390 WeakPolarHBondContact CB-O 3.34Å; S248-G390 VanDerWaalsContact OG-CA 3.29Å; S248-G390 WeakPolarHBondContact OG-CA 3.34Å; S248-G390 PolarHBondContact OG-N 3.5Å; S248-G390 PolarHBondContact OG-O 3.03Å; G390-H397 WeakPolarHBondContact CA-CE1 3.46Å; G390-Q398 VanDerWaalsContact CA-OE1 3.29Å | ||
| 391 | S | 85.7 | Confident | 89.3 | Confident | 35 Ų | 35 | 17 Ų | 17 | 25% | 0.245 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -130.8 | -15 | -179.9 | 55.3 | 0 | 0 | 0 | 0 | 113.3 | N246 H397 Q398 | N246-S391 PolarHBondContact ND2-O 2.75Å; S391-H397 PolarHBondContact N-CE1 2.57Å; S391-H397 PolarHBondContact N-NE2 3.02Å; S391-H397 VanDerWaalsContact N-NE2 3.11Å; S391-Q398 VanDerWaalsContact OG-CD 3.31Å; S391-Q398 PolarHBondContact OG-NE2 3.31Å; S391-Q398 PolarHBondContact OG-OE1 2.86Å |
| 392 | L | 82.9 | Confident | 90.2 | Very high | 83 Ų | 83 | 13.8 Ų | 13.8 | 44% | 0.435 | 7% | 0.073 | S | C | . | . | S | Bend | trans | -96.5 | -32.4 | -178.4 | -55.8 | 176.4 | 0 | 0 | 0 | 113.9 | H397 W458 I464 P467 | L392-H397 WeakPolarHBondContact CB-NE2 3.32Å; L392-H397 PolarHBondContact N-CE1 2.91Å; L392-H397 PolarHBondContact N-NE2 3.46Å; L392-W458 HydrophobicContact CD1-CH2 4.19Å; L392-W458 HydrophobicContact CD1-CZ3 4.04Å; L392-I464 HydrophobicContact CB-CD1 3.75Å; L392-I464 HydrophobicContact CD1-CD1 3.9Å; L392-I464 HydrophobicContact CG-CD1 4.45Å; L392-I464 WeakPolarHBondContact O-CG2 3.45Å; L392-P467 WeakPolarHBondContact O-CB 3.47Å |
| 393 | T | 84.3 | Confident | 90.5 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -149.1 | 166.3 | -173.7 | 134 | 0 | 0 | 0 | 0 | 109.3 | N246 S395 H397 W458 I464 | N246-T393 CarbonylContact O-C 3.58Å; T393-S395 PolarHBondContact O-N 2.86Å; T393-S395 PolarHBondContact OG1-N 2.93Å; T393-H397 PolarHBondContact N-CE1 3.16Å; T393-W458 HydrophobicContact CG2-CH2 4.15Å; T393-W458 HydrophobicContact CG2-CZ2 3.8Å; T393-I464 HydrophobicContact CG2-CD1 3.89Å; T393-I464 HydrophobicContact CG2-CG2 4.33Å |
| 394 | Y | 82.6 | Confident | 90.4 | Very high | 7 Ų | 7 | 14 Ų | 14 | 3% | 0.027 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -65.4 | -22 | 174.6 | 69.3 | -101.4 | 0 | 0 | 0 | 114 | N246 I330 L333 P467 P470 D504 | N246-Y394 PolarHBondContact O-N 2.82Å; I330-Y394 HydrophobicContact CD1-CD2 3.66Å; I330-Y394 HydrophobicContact CD1-CE2 3.25Å; L333-Y394 HydrophobicContact CD1-CD1 3.69Å; L333-Y394 HydrophobicContact CD1-CD2 4.19Å; L333-Y394 HydrophobicContact CD1-CE1 4.2Å; L333-Y394 HydrophobicContact CD1-CG 3.67Å; L333-Y394 HydrophobicContact CD2-CD1 4.5Å; L333-Y394 HydrophobicContact CD2-CE1 4.18Å; Y394-P467 WeakPolarHBondContact CD1-O 3.38Å; Y394-P467 PolarHBondContact N-O 3.05Å; Y394-P470 VanDerWaalsContact CE1-CD 3.46Å; Y394-P470 HydrophobicContact CE1-CG 3.79Å; Y394-P470 WeakPolarHBondContact OH-CG 3.47Å; Y394-D504 WeakPolarHBondContact OH-CA 3.34Å |
| 395 | S | 85.3 | Confident | 90.1 | Very high | 9 Ų | 9 | 18.8 Ų | 18.8 | 6% | 0.063 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -81.1 | 133.6 | 179.4 | -64.7 | 0 | 0 | 0 | 0 | 110.4 | T393 H397 H438 | T393-S395 PolarHBondContact O-N 2.86Å; T393-S395 PolarHBondContact OG1-N 2.93Å; S395-H397 PolarHBondContact O-N 2.84Å; S395-H397 PolarHBondContact O-ND1 3.02Å; S395-H438 PolarHBondContact OG-CE1 3.28Å |
| 396 | P | 89.3 | Confident | 89.5 | Confident | 12 Ų | 12 | 23.7 Ų | 23.7 | 8% | 0.078 | 12% | 0.124 | C | C | . | . | trans | -63.8 | 131 | -179.9 | -19.7 | 30.4 | 0 | 0 | 0 | 113 | R251 T389 I439 | R251-P396 HydrophobicContact CB-CG 4.38Å; R251-P396 HydrophobicContact CG-CG 3.92Å; T389-P396 CarbonylContact O-C 3.56Å; T389-P396 VanDerWaalsContact O-CA 3.24Å; T389-P396 WeakPolarHBondContact O-CA 3.37Å; P396-I439 PolarHBondContact O-N 2.95Å | ||
| 397 | H | 90.8 | Very high | 88.8 | Confident | 3 Ų | 3 | 28.2 Ų | 28.2 | 1% | 0.014 | 15% | 0.148 | C | C | . | . | trans | -146.8 | 11.1 | -178 | 56.2 | -83.7 | 0 | 0 | 0 | 111.9 | T389 G390 S391 L392 T393 S395 I435 G437 W458 | T389-H397 PolarHBondContact O-N 3.45Å; G390-H397 WeakPolarHBondContact CA-CE1 3.46Å; S391-H397 PolarHBondContact N-CE1 2.57Å; S391-H397 PolarHBondContact N-NE2 3.02Å; S391-H397 VanDerWaalsContact N-NE2 3.11Å; L392-H397 WeakPolarHBondContact CB-NE2 3.32Å; L392-H397 PolarHBondContact N-CE1 2.91Å; L392-H397 PolarHBondContact N-NE2 3.46Å; T393-H397 PolarHBondContact N-CE1 3.16Å; S395-H397 PolarHBondContact O-N 2.84Å; S395-H397 PolarHBondContact O-ND1 3.02Å; H397-I435 PolarHBondContact O-N 3.2Å; H397-G437 WeakPolarHBondContact CA-O 3.01Å; H397-G437 WeakPolarHBondContact CB-O 3.35Å; H397-W458 HydrophobicContact CB-CH2 3.58Å; H397-W458 HydrophobicContact CB-CZ2 3.81Å; H397-W458 AromaticContact CD2-CH2 3.66Å; H397-W458 AromaticContact CG-CH2 3.46Å; H397-W458 VanDerWaalsContact CG-CH2 3.46Å; H397-W458 AromaticContact CG-CZ2 3.94Å | ||
| 398 | Q | 93.4 | Very high | 88.3 | Confident | 23 Ų | 23 | 29.1 Ų | 29.1 | 11% | 0.107 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 153.5 | 175.7 | -65.3 | -179.8 | -60.2 | 0 | 0 | 109.4 | T388 T389 G390 S391 V432 I433 D434 | T388-Q398 CarbonylContact C-O 3.53Å; T388-Q398 WeakPolarHBondContact CA-O 3.23Å; T389-Q398 HydrophobicContact CG2-CB 3.84Å; T389-Q398 PolarHBondContact N-O 3.24Å; T389-Q398 PolarHBondContact O-N 2.76Å; G390-Q398 VanDerWaalsContact CA-OE1 3.29Å; S391-Q398 VanDerWaalsContact OG-CD 3.31Å; S391-Q398 PolarHBondContact OG-NE2 3.31Å; S391-Q398 PolarHBondContact OG-OE1 2.86Å; Q398-V432 HydrophobicContact CB-CG1 3.93Å; Q398-V432 HydrophobicContact CG-CG1 4.25Å; Q398-I433 CarbonylContact C-O 3.37Å; Q398-I433 VanDerWaalsContact CA-O 3.27Å; Q398-I433 WeakPolarHBondContact CA-O 3.34Å; Q398-D434 WeakPolarHBondContact CG-OD1 3.44Å; Q398-D434 PolarHBondContact NE2-OD1 2.91Å |
| 399 | I | 94.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 113.4 | 172.4 | -57.7 | 158.9 | 0 | 0 | 0 | 107.4 | F387 I401 V432 I433 I435 I439 M442 L451 V453 I482 | F387-I399 CarbonylContact O-C 3.51Å; F387-I399 WeakPolarHBondContact O-CA 3.37Å; I399-I401 HydrophobicContact CG2-CG1 4.3Å; I399-V432 WeakPolarHBondContact O-CA 3.18Å; I399-I433 HydrophobicContact CB-CB 4.36Å; I399-I433 PolarHBondContact N-O 2.56Å; I399-I433 PolarHBondContact O-N 3.21Å; I399-I435 HydrophobicContact CD1-CD1 4.33Å; I399-I435 HydrophobicContact CD1-CG1 4.11Å; I399-I439 HydrophobicContact CG1-CD1 3.81Å; I399-M442 HydrophobicContact CG2-CE 4.14Å; I399-L451 HydrophobicContact CD1-CD2 4.21Å; I399-L451 HydrophobicContact CG2-CD2 4.13Å; I399-V453 HydrophobicContact CD1-CB 4.48Å; I399-V453 HydrophobicContact CD1-CG1 4.22Å; I399-V453 HydrophobicContact CD1-CG2 3.66Å; I399-I482 HydrophobicContact CD1-CD1 3.31Å |
| 400 | G | 93.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 135.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | L386 F387 | L386-G400 WeakPolarHBondContact CA-O 3.45Å; F387-G400 PolarHBondContact N-O 3.1Å; F387-G400 PolarHBondContact O-N 3.06Å |
| 401 | I | 93.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126.1 | 179 | -53.6 | -175.3 | 0 | 0 | 0 | 108.7 | Y384 L386 I399 D430 H431 I433 L487 | Y384-I401 HydrophobicContact CD1-CG2 3.81Å; Y384-I401 HydrophobicContact CE1-CG2 4.37Å; Y384-I401 HydrophobicContact CG-CG2 4.05Å; L386-I401 HydrophobicContact CD2-CB 4.25Å; L386-I401 HydrophobicContact CD2-CD1 4.18Å; L386-I401 HydrophobicContact CD2-CG1 3.79Å; L386-I401 HydrophobicContact CD2-CG2 3.91Å; I399-I401 HydrophobicContact CG2-CG1 4.3Å; I401-D430 PolarHBondContact O-N 3Å; I401-H431 HydrophobicContact CB-CB 4.04Å; I401-H431 HydrophobicContact CD1-CB 4.33Å; I401-H431 HydrophobicContact CG1-CB 4.49Å; I401-H431 PolarHBondContact N-O 3.32Å; I401-H431 PolarHBondContact O-N 3.02Å; I401-I433 HydrophobicContact CD1-CD1 3.99Å; I401-I433 HydrophobicContact CD1-CG1 4.46Å; I401-L487 HydrophobicContact CD1-CD2 3.89Å; I401-L487 HydrophobicContact CG2-CD2 4.43Å |
| 402 | K | 90.6 | Very high | 85.9 | Confident | 23 Ų | 23 | 36.3 Ų | 36.3 | 10% | 0.1 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 126.8 | 177.4 | -169.8 | 73.2 | -166.4 | 164.5 | 0 | 111.5 | F240 Y384 L385 S428 D430 | F240-K402 HydrophobicContact CD1-CG 4.1Å; F240-K402 HydrophobicContact CD2-CG 4.06Å; F240-K402 HydrophobicContact CE1-CD 4.33Å; F240-K402 HydrophobicContact CE1-CG 3.71Å; F240-K402 HydrophobicContact CE2-CB 4.3Å; F240-K402 HydrophobicContact CE2-CG 3.65Å; F240-K402 HydrophobicContact CG-CG 4.28Å; F240-K402 HydrophobicContact CZ-CG 3.47Å; F240-K402 VanDerWaalsContact CZ-CG 3.47Å; Y384-K402 CarbonylContact C-O 3.46Å; Y384-K402 WeakPolarHBondContact CA-O 3.11Å; L385-K402 HydrophobicContact CB-CB 4.46Å; L385-K402 WeakPolarHBondContact CB-O 3.38Å; L385-K402 PolarHBondContact N-O 3.11Å; L385-K402 PolarHBondContact O-N 3.02Å; K402-S428 WeakPolarHBondContact CD-O 3.12Å; K402-S428 VanDerWaalsContact CE-O 3.22Å; K402-S428 WeakPolarHBondContact CE-O 2.95Å; K402-S428 PolarHBondContact NZ-O 2.84Å; K402-D430 WeakPolarHBondContact CA-OD2 3.34Å; K402-D430 WeakPolarHBondContact CD-OD2 3.39Å; K402-D430 IonicContact NZ-OD1 3.17Å; K402-D430 PolarHBondContact NZ-OD1 2.78Å; K402-D430 IonicContact NZ-OD2 3.47Å |
| 403 | R | 89.2 | Confident | 84.8 | Confident | 66 Ų | 66 | 35.1 Ų | 35.1 | 25% | 0.249 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 126.5 | 174.4 | -170.8 | 177 | -179.5 | -170.9 | -0.4 | 109.2 | E378 T383 Y384 D430 | E378-R403 IonicContact OE2-CZ 3.31Å; E378-R403 IonicContact OE2-NH1 3.79Å; E378-R403 PolarHBondContact OE2-NH1 2.97Å; E378-R403 IonicContact OE2-NH2 3.58Å; E378-R403 PolarHBondContact OE2-NH2 2.87Å; E378-R403 VanDerWaalsContact OE2-NH2 3.12Å; T383-R403 WeakPolarHBondContact O-CA 3.44Å; Y384-R403 HydrophobicContact CD1-CB 4.01Å; Y384-R403 HydrophobicContact CD1-CG 4.5Å; Y384-R403 HydrophobicContact CE1-CB 3.96Å; Y384-R403 HydrophobicContact CE1-CG 4.31Å; R403-D430 WeakPolarHBondContact CB-OD2 3.39Å; R403-D430 PolarHBondContact N-OD2 2.9Å |
| 404 | I | 89.3 | Confident | 83.3 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.1 | 168.8 | -55.6 | 175.8 | 0 | 0 | 0 | 107 | L197 I203 L239 F240 T383 L385 Q408 M409 | L197-I404 HydrophobicContact CD1-CD1 3.51Å; I203-I404 HydrophobicContact CD1-CD1 4.18Å; L239-I404 HydrophobicContact CD1-CG2 4.42Å; L239-I404 HydrophobicContact CD2-CD1 4.18Å; F240-I404 HydrophobicContact CE2-CG1 4.04Å; F240-I404 HydrophobicContact CZ-CG1 4.35Å; T383-I404 HydrophobicContact CG2-CB 4.32Å; T383-I404 HydrophobicContact CG2-CD1 4.35Å; T383-I404 PolarHBondContact O-N 2.86Å; L385-I404 HydrophobicContact CB-CD1 4Å; L385-I404 HydrophobicContact CB-CG1 4.08Å; L385-I404 HydrophobicContact CD1-CD1 4.39Å; I404-Q408 HydrophobicContact CG2-CB 4.08Å; I404-M409 HydrophobicContact CB-CE 4.17Å; I404-M409 HydrophobicContact CG2-CE 3.99Å; I404-M409 HydrophobicContact CG2-CG 3.61Å; I404-M409 VanDerWaalsContact O-CE 3.23Å; I404-M409 WeakPolarHBondContact O-CE 3.49Å |
| 405 | K | 86.3 | Confident | 81.7 | Confident | 116 Ų | 116 | 45.3 Ų | 45.3 | 50% | 0.504 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -78.6 | 151.9 | 176.4 | -60.2 | -176.6 | 178.3 | -176.5 | 0 | 110.7 | D407 Q408 M409 | K405-D407 VanDerWaalsContact C-N 3.26Å; K405-D407 WeakPolarHBondContact CB-OD1 3.46Å; K405-D407 PolarHBondContact O-N 2.98Å; K405-Q408 HydrophobicContact CB-CG 4.14Å; K405-Q408 WeakPolarHBondContact O-CA 3.38Å; K405-Q408 WeakPolarHBondContact O-CB 3.26Å; K405-Q408 PolarHBondContact O-N 2.83Å; K405-M409 PolarHBondContact O-N 2.94Å |
| 406 | P | 83.5 | Confident | 80 | Confident | 103 Ų | 103 | 47.1 Ų | 47.1 | 67% | 0.669 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -53.7 | -38 | -178.5 | -28.6 | 36.2 | 0 | 0 | 0 | 114.7 | Q408 M409 | P406-Q408 PolarHBondContact O-N 2.78Å; P406-M409 PolarHBondContact O-N 3.5Å |
| 407 | D | 81.3 | Confident | 77.8 | Confident | 94 Ų | 94 | 48.8 Ų | 48.8 | 50% | 0.503 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -66.7 | -20 | 176.2 | 61.8 | -62.3 | 0 | 0 | 0 | 113.6 | K237 K405 | K237-D407 PolarHBondContact NZ-O 3.32Å; K405-D407 VanDerWaalsContact C-N 3.26Å; K405-D407 WeakPolarHBondContact CB-OD1 3.46Å; K405-D407 PolarHBondContact O-N 2.98Å |
| 408 | Q | 83.5 | Confident | 75.3 | Confident | 19 Ų | 19 | 57.6 Ų | 57.6 | 9% | 0.089 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -89.6 | -10.9 | 177.5 | -58.8 | 175.2 | -35.7 | 0 | 0 | 112.7 | L239 I404 K405 P406 T410 L416 | L239-Q408 HydrophobicContact CD1-CB 4Å; L239-Q408 WeakPolarHBondContact CD1-O 3.27Å; I404-Q408 HydrophobicContact CG2-CB 4.08Å; K405-Q408 HydrophobicContact CB-CG 4.14Å; K405-Q408 WeakPolarHBondContact O-CA 3.38Å; K405-Q408 WeakPolarHBondContact O-CB 3.26Å; K405-Q408 PolarHBondContact O-N 2.83Å; P406-Q408 PolarHBondContact O-N 2.78Å; Q408-T410 VanDerWaalsContact C-N 3.27Å; Q408-T410 PolarHBondContact O-N 3.44Å; Q408-L416 HydrophobicContact CG-CD1 4.38Å |
| 409 | M | 83.6 | Confident | 72.8 | Confident | 45 Ų | 45 | 65.8 Ų | 65.8 | 22% | 0.222 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -82.2 | -1.8 | -176.5 | -61 | -175.7 | -172.3 | 0 | 0 | 114.3 | L197 N198 T383 I404 K405 P406 | L197-M409 HydrophobicContact CD2-CB 4.1Å; L197-M409 HydrophobicContact CD2-CG 4.2Å; N198-M409 PolarHBondContact ND2-O 3.32Å; T383-M409 VanDerWaalsContact CB-CE 3.46Å; T383-M409 HydrophobicContact CG2-CE 3.94Å; T383-M409 WeakPolarHBondContact OG1-CE 3.19Å; I404-M409 HydrophobicContact CB-CE 4.17Å; I404-M409 HydrophobicContact CG2-CE 3.99Å; I404-M409 HydrophobicContact CG2-CG 3.61Å; I404-M409 VanDerWaalsContact O-CE 3.23Å; I404-M409 WeakPolarHBondContact O-CE 3.49Å; K405-M409 PolarHBondContact O-N 2.94Å; P406-M409 PolarHBondContact O-N 3.5Å |
| 410 | T | 81.8 | Confident | 70.7 | Confident | 48 Ų | 48 | 69.2 Ų | 69.2 | 29% | 0.294 | 39% | 0.388 | S | S | . | . | S | Bend | trans | -121.4 | 147.4 | 177.2 | 178.6 | 0 | 0 | 0 | 0 | 111.1 | K237 Q408 S412 | K237-T410 VanDerWaalsContact CD-O 3.25Å; K237-T410 WeakPolarHBondContact CD-O 3.29Å; K237-T410 PolarHBondContact NZ-O 2.68Å; Q408-T410 VanDerWaalsContact C-N 3.27Å; Q408-T410 PolarHBondContact O-N 3.44Å; T410-S412 WeakPolarHBondContact OG1-CB 3.38Å; T410-S412 PolarHBondContact OG1-N 3.27Å; T410-S412 PolarHBondContact OG1-OG 2.7Å |
| 411 | T | 75 | Confident | 68.2 | Low | 27 Ų | 27 | 72.4 Ų | 72.4 | 17% | 0.166 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -73.5 | -17.1 | 169.1 | 46.9 | 0 | 0 | 0 | 0 | 112.4 | H201 L221 V235 K237 | H201-T411 PolarHBondContact NE2-OG1 2.82Å; L221-T411 HydrophobicContact CD2-CG2 4.18Å; L221-T411 HydrophobicContact CG-CG2 4.26Å; V235-T411 HydrophobicContact CG1-CG2 4.3Å; K237-T411 HydrophobicContact CB-CG2 4.25Å |
| 412 | S | 68.6 | Low | 65.8 | Low | 83 Ų | 83 | 78.7 Ų | 78.7 | 58% | 0.58 | 46% | 0.455 | S | S | * | . | trans | -73.4 | 151.4 | 174.7 | -48.7 | 0 | 0 | 0 | 0 | 112.3 | T410 | T410-S412 WeakPolarHBondContact OG1-CB 3.38Å; T410-S412 PolarHBondContact OG1-N 3.27Å; T410-S412 PolarHBondContact OG1-OG 2.7Å | ||
| 413 | G | 60.8 | Low | 63.4 | Low | 57 Ų | 57 | 86 Ų | 86 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | S | Bend | trans | 103.5 | 172.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V415 | G413-V415 PolarHBondContact O-N 3.4Š|
| 414 | P | 52.4 | Low | 61.8 | Low | 102 Ų | 102 | 88.5 Ų | 88.5 | 66% | 0.662 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -57.5 | 136.3 | -178 | 22.8 | -31.3 | 0 | 0 | 0 | 110.1 | L416 | P414-L416 PolarHBondContact O-N 3.07Š|
| 415 | V | 48.9 | Very low | 60.8 | Low | 120 Ų | 120 | 94.4 Ų | 94.4 | 73% | 0.727 | 53% | 0.529 | S | S | * | . | trans | -56.4 | 113 | 170.3 | 179 | 0 | 0 | 0 | 0 | 106 | G413 G417 | G413-V415 PolarHBondContact O-N 3.4Å; V415-G417 VanDerWaalsContact C-N 3.32Å; V415-G417 PolarHBondContact O-N 2.79Å | ||
| 416 | L | 49.4 | Very low | 60.5 | Low | 47 Ų | 47 | 91 Ų | 91 | 25% | 0.246 | 51% | 0.514 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 95.9 | -177.8 | -77.1 | 161.6 | 0 | 0 | 0 | 109.6 | R238 Q408 P414 | R238-L416 PolarHBondContact NH2-O 2.61Å; Q408-L416 HydrophobicContact CG-CD1 4.38Å; P414-L416 PolarHBondContact O-N 3.07Å |
| 417 | G | 43.4 | Very low | 60.4 | Low | 46 Ų | 46 | 87 Ų | 87 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -177 | -27.7 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V415 | V415-G417 VanDerWaalsContact C-N 3.32Å; V415-G417 PolarHBondContact O-N 2.79Å |
| 418 | E | 38.2 | Very low | 60.4 | Low | 189 Ų | 189 | 84 Ų | 84 | 88% | 0.883 | 47% | 0.474 | S | S | * | . | S | Bend | trans | -83.5 | -22.1 | 176.8 | -71.9 | -169.8 | 160.3 | 0 | 0 | 114.2 | ||
| 419 | E | 41.8 | Very low | 60.5 | Low | 195 Ų | 195 | 83.7 Ų | 83.7 | 91% | 0.911 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -107.1 | -2.5 | 179.8 | -67.6 | -172.2 | 165.6 | 0 | 0 | 114.8 | S421 | E419-S421 PolarHBondContact O-N 3.11Š|
| 420 | R | 48.9 | Very low | 60.5 | Low | 71 Ų | 71 | 82.4 Ų | 82.4 | 27% | 0.268 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -85.7 | 116.4 | 175.1 | -73 | -173.6 | 179.1 | -171.8 | -2.7 | 108.5 | S422 D427 | R420-S422 PolarHBondContact O-N 3.34Å; R420-D427 IonicContact CZ-OD1 2.77Å; R420-D427 IonicContact CZ-OD2 3.81Å; R420-D427 VanDerWaalsContact NH1-CG 3.34Å; R420-D427 IonicContact NH1-OD1 3.49Å; R420-D427 PolarHBondContact NH1-OD1 3.28Å; R420-D427 IonicContact NH1-OD2 3.36Å; R420-D427 PolarHBondContact NH1-OD2 3.1Å; R420-D427 IonicContact NH2-OD1 3.86Å; R420-D427 PolarHBondContact NH2-OD1 3.04Å; R420-D427 IonicContact NH2-OD2 2.89Å |
| 421 | S | 41.9 | Very low | 60.8 | Low | 68 Ų | 68 | 81.9 Ų | 81.9 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | trans | -49.1 | 143.2 | 175 | 77.2 | 0 | 0 | 0 | 0 | 110.1 | E419 E423 E424 | E419-S421 PolarHBondContact O-N 3.11Å; S421-E423 PolarHBondContact O-N 3.43Å; S421-E424 PolarHBondContact O-N 2.68Å | ||
| 422 | S | 43.6 | Very low | 61.5 | Low | 132 Ų | 132 | 82.5 Ų | 82.5 | 92% | 0.923 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -3.1 | 176.8 | 45.2 | 0 | 0 | 0 | 0 | 114.3 | R420 | R420-S422 PolarHBondContact O-N 3.34Š|
| 423 | E | 40.4 | Very low | 62.5 | Low | 177 Ų | 177 | 79.2 Ų | 79.2 | 83% | 0.827 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -19.5 | -178.1 | -56.7 | -163.3 | 165.7 | 0 | 0 | 114.7 | S421 | S421-E423 PolarHBondContact O-N 3.43Š|
| 424 | E | 54.3 | Low | 63.9 | Low | 117 Ų | 117 | 81.7 Ų | 81.7 | 55% | 0.547 | 44% | 0.441 | S | S | . | . | trans | -106.7 | 88.9 | -177.7 | -71.9 | -170.1 | 157.8 | 0 | 0 | 112.7 | K364 S421 | K364-E424 IonicContact NZ-OE1 3.31Å; K364-E424 PolarHBondContact NZ-OE1 2.97Å; S421-E424 PolarHBondContact O-N 2.68Å | ||
| 425 | F | 69.6 | Low | 65.7 | Low | 126 Ų | 126 | 77.1 Ų | 77.1 | 55% | 0.553 | 41% | 0.41 | S | S | * | . | trans | -77.6 | -22.3 | -178.2 | -174.3 | -99.9 | 0 | 0 | 0 | 114.7 | I210 | I210-F425 HydrophobicContact CD1-CE1 4.2Š| ||
| 426 | F | 78.9 | Confident | 67.7 | Low | 44 Ų | 44 | 75.8 Ų | 75.8 | 19% | 0.193 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -128 | 143.7 | -178.9 | -64 | -62.9 | 0 | 0 | 0 | 111.4 | I210 C216 K241 Q243 | I210-F426 HydrophobicContact CD1-CE1 4.15Å; I210-F426 HydrophobicContact CD1-CZ 3.7Å; C216-F426 HydrophobicContact CB-CD1 4.33Å; C216-F426 HydrophobicContact CB-CE1 3.48Å; C216-F426 VanDerWaalsContact CB-CE1 3.48Å; C216-F426 HydrophobicContact CB-CZ 4.25Å; K241-F426 HydrophobicContact CD-CD1 4.45Å; K241-F426 HydrophobicContact CG-CD1 4Å; K241-F426 HydrophobicContact CG-CE1 4.34Å; K241-F426 CarbonylContact O-C 3.54Å; K241-F426 WeakPolarHBondContact O-CA 3.42Å; Q243-F426 HydrophobicContact CB-CB 4.46Å; Q243-F426 HydrophobicContact CB-CD1 3.9Å; Q243-F426 HydrophobicContact CB-CD2 3.86Å; Q243-F426 HydrophobicContact CB-CE1 4.04Å; Q243-F426 HydrophobicContact CB-CE2 3.95Å; Q243-F426 HydrophobicContact CB-CG 3.83Å; Q243-F426 HydrophobicContact CB-CZ 4.04Å; Q243-F426 HydrophobicContact CG-CD2 4.22Å; Q243-F426 HydrophobicContact CG-CE1 4.44Å; Q243-F426 HydrophobicContact CG-CE2 3.86Å; Q243-F426 HydrophobicContact CG-CZ 3.98Å |
| 427 | D | 82.5 | Confident | 69.6 | Low | 19 Ų | 19 | 73.6 Ų | 73.6 | 10% | 0.102 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -76.9 | 135.2 | 173.3 | -69.3 | -82.8 | 0 | 0 | 0 | 110.6 | F240 K241 R420 | F240-D427 WeakPolarHBondContact CA-OD2 3.46Å; F240-D427 HydrophobicContact CD1-CB 4.29Å; K241-D427 PolarHBondContact N-OD2 3.11Å; K241-D427 PolarHBondContact O-N 3.41Å; R420-D427 IonicContact CZ-OD1 2.77Å; R420-D427 IonicContact CZ-OD2 3.81Å; R420-D427 VanDerWaalsContact NH1-CG 3.34Å; R420-D427 IonicContact NH1-OD1 3.49Å; R420-D427 PolarHBondContact NH1-OD1 3.28Å; R420-D427 IonicContact NH1-OD2 3.36Å; R420-D427 PolarHBondContact NH1-OD2 3.1Å; R420-D427 IonicContact NH2-OD1 3.86Å; R420-D427 PolarHBondContact NH2-OD1 3.04Å; R420-D427 IonicContact NH2-OD2 2.89Å |
| 428 | S | 80.4 | Confident | 71.9 | Confident | 33 Ų | 33 | 71.9 Ų | 71.9 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 153.4 | 172.7 | 62.1 | 0 | 0 | 0 | 0 | 111.6 | K364 K402 | K364-S428 VanDerWaalsContact CB-CB 3.5Å; K402-S428 WeakPolarHBondContact CD-O 3.12Å; K402-S428 VanDerWaalsContact CE-O 3.22Å; K402-S428 WeakPolarHBondContact CE-O 2.95Å; K402-S428 PolarHBondContact NZ-O 2.84Å |
| 429 | L | 85.3 | Confident | 74.6 | Confident | 12 Ų | 12 | 63.6 Ų | 63.6 | 6% | 0.063 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -88.2 | 148.3 | 170.6 | -56.3 | -172.8 | 0 | 0 | 0 | 110 | I242 F387 V432 | I242-L429 HydrophobicContact CD1-CD2 3.85Å; I242-L429 HydrophobicContact CG1-CD2 4.03Å; I242-L429 HydrophobicContact CG2-CD2 4.21Å; F387-L429 HydrophobicContact CE1-CD2 4.45Å; F387-L429 HydrophobicContact CE2-CD1 4.5Å; F387-L429 HydrophobicContact CZ-CD1 4.17Å; F387-L429 HydrophobicContact CZ-CD2 3.67Å; L429-V432 HydrophobicContact CB-CG2 4.03Å; L429-V432 HydrophobicContact CD1-CG2 3.57Å; L429-V432 HydrophobicContact CG-CG2 4.42Å |
| 430 | D | 84.3 | Confident | 77 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 10% | 0.096 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -84.6 | -33 | 178.5 | -57.2 | -33.9 | 0 | 0 | 0 | 110.6 | P366 L370 I401 K402 R403 | P366-D430 WeakPolarHBondContact CB-O 3.42Å; L370-D430 WeakPolarHBondContact CD1-OD1 3.34Å; I401-D430 PolarHBondContact O-N 3Å; K402-D430 WeakPolarHBondContact CA-OD2 3.34Å; K402-D430 WeakPolarHBondContact CD-OD2 3.39Å; K402-D430 IonicContact NZ-OD1 3.17Å; K402-D430 PolarHBondContact NZ-OD1 2.78Å; K402-D430 IonicContact NZ-OD2 3.47Å; R403-D430 WeakPolarHBondContact CB-OD2 3.39Å; R403-D430 PolarHBondContact N-OD2 2.9Å |
| 431 | H | 87.6 | Confident | 79.2 | Confident | 36 Ų | 36 | 51.3 Ų | 51.3 | 17% | 0.167 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 154.7 | 171.1 | -155.4 | 60.6 | 0 | 0 | 0 | 111.5 | I401 L487 | I401-H431 HydrophobicContact CB-CB 4.04Å; I401-H431 HydrophobicContact CD1-CB 4.33Å; I401-H431 HydrophobicContact CG1-CB 4.49Å; I401-H431 PolarHBondContact N-O 3.32Å; I401-H431 PolarHBondContact O-N 3.02Å; H431-L487 HydrophobicContact CB-CD1 4.06Å; H431-L487 PolarHBondContact CD2-O 3.37Å; H431-L487 PolarHBondContact NE2-O 2.93Å; H431-L487 VanDerWaalsContact NE2-O 3.12Å |
| 432 | V | 89.9 | Confident | 81.7 | Confident | 41 Ų | 41 | 48.6 Ų | 48.6 | 25% | 0.248 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 130.4 | 172.7 | -178 | 0 | 0 | 0 | 0 | 108.1 | Q398 I399 L429 | Q398-V432 HydrophobicContact CB-CG1 3.93Å; Q398-V432 HydrophobicContact CG-CG1 4.25Å; I399-V432 WeakPolarHBondContact O-CA 3.18Å; L429-V432 HydrophobicContact CB-CG2 4.03Å; L429-V432 HydrophobicContact CD1-CG2 3.57Å; L429-V432 HydrophobicContact CG-CG2 4.42Å |
| 433 | I | 90.3 | Very high | 84.2 | Confident | 14 Ų | 14 | 42.5 Ų | 42.5 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.4 | 176 | -58.8 | 175.2 | 0 | 0 | 0 | 108.3 | Q398 I399 I401 I435 I482 | Q398-I433 CarbonylContact C-O 3.37Å; Q398-I433 VanDerWaalsContact CA-O 3.27Å; Q398-I433 WeakPolarHBondContact CA-O 3.34Å; I399-I433 HydrophobicContact CB-CB 4.36Å; I399-I433 PolarHBondContact N-O 2.56Å; I399-I433 PolarHBondContact O-N 3.21Å; I401-I433 HydrophobicContact CD1-CD1 3.99Å; I401-I433 HydrophobicContact CD1-CG1 4.46Å; I433-I435 HydrophobicContact CG2-CD1 4.27Å; I433-I482 HydrophobicContact CD1-CD1 4Å; I433-I482 HydrophobicContact CD1-CG1 4.37Å; I433-I482 HydrophobicContact CD1-CG2 3.42Å; I433-I482 VanDerWaalsContact CD1-CG2 3.42Å; I433-I482 HydrophobicContact CG2-CD1 4.15Å |
| 434 | D | 90.4 | Very high | 86.8 | Confident | 109 Ų | 109 | 35 Ų | 35 | 58% | 0.583 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 128.8 | 176.3 | -66.8 | -43.7 | 0 | 0 | 0 | 110.7 | Q398 | Q398-D434 WeakPolarHBondContact CG-OD1 3.44Å; Q398-D434 PolarHBondContact NE2-OD1 2.91Å |
| 435 | I | 90.8 | Very high | 88.7 | Confident | 5 Ų | 5 | 29.5 Ų | 29.5 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | trans | -112.1 | 127.3 | 171.7 | -58.5 | -61.9 | 0 | 0 | 0 | 107.8 | H397 I399 I433 G437 I439 S455 | H397-I435 PolarHBondContact O-N 3.2Å; I399-I435 HydrophobicContact CD1-CD1 4.33Å; I399-I435 HydrophobicContact CD1-CG1 4.11Å; I433-I435 HydrophobicContact CG2-CD1 4.27Å; I435-G437 PolarHBondContact O-N 3.09Å; I435-I439 HydrophobicContact CB-CD1 4.24Å; I435-I439 HydrophobicContact CB-CG1 4.12Å; I435-I439 HydrophobicContact CG1-CD1 3.99Å; I435-I439 HydrophobicContact CG1-CG1 4.2Å; I435-I439 HydrophobicContact CG2-CG1 4.21Å; I435-S455 VanDerWaalsContact CG2-CB 3.47Å | ||
| 436 | H | 89.8 | Confident | 89.7 | Confident | 93 Ų | 93 | 27.4 Ų | 27.4 | 43% | 0.431 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -78.9 | 66 | -179.6 | -173.8 | 69.3 | 0 | 0 | 0 | 111.7 | A457 W458 | H436-A457 VanDerWaalsContact O-CA 3.24Å; H436-A457 WeakPolarHBondContact O-CA 3.48Å; H436-W458 AromaticContact CE1-CE3 3.93Å; H436-W458 AromaticContact ND1-CE3 3.72Å; H436-W458 PolarHBondContact NE2-O 3.15Å; H436-W458 PolarHBondContact O-N 3.38Å |
| 437 | G | 89.6 | Confident | 90 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 161.6 | 179.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H397 I435 R456 | H397-G437 WeakPolarHBondContact CA-O 3.01Å; H397-G437 WeakPolarHBondContact CB-O 3.35Å; I435-G437 PolarHBondContact O-N 3.09Å; G437-R456 CarbonylContact C-O 3.59Å; G437-R456 WeakPolarHBondContact CA-O 3.33Å |
| 438 | H | 91.8 | Very high | 90.4 | Very high | 11 Ų | 11 | 28.6 Ų | 28.6 | 5% | 0.051 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 127.4 | 175.1 | -69.3 | -170.7 | 0 | 0 | 0 | 109.7 | S395 I440 S455 R456 W458 I473 N503 | S395-H438 PolarHBondContact OG-CE1 3.28Å; H438-I440 HydrophobicContact CB-CG2 4.5Å; H438-S455 CarbonylContact O-C 3.54Å; H438-S455 WeakPolarHBondContact O-CA 3.37Å; H438-S455 WeakPolarHBondContact O-CB 3.32Å; H438-R456 PolarHBondContact N-O 3.49Å; H438-R456 PolarHBondContact O-N 3.06Å; H438-W458 AromaticContact CD2-CE2 3.81Å; H438-W458 AromaticContact CD2-CZ2 3.95Å; H438-W458 AromaticContact CD2-NE1 3.16Å; H438-W458 PolarHBondContact CD2-NE1 3.27Å; H438-W458 AromaticContact NE2-NE1 3.23Å; H438-W458 PolarHBondContact NE2-NE1 2.76Å; H438-I473 HydrophobicContact CB-CG2 4.33Å; H438-N503 PolarHBondContact CE1-O 3.13Å |
| 439 | I | 93.7 | Very high | 90.8 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 127.8 | 172.7 | -60.6 | 166.6 | 0 | 0 | 0 | 108.4 | T388 P396 I399 I435 M442 V453 | T388-I439 HydrophobicContact CG2-CB 4.24Å; T388-I439 HydrophobicContact CG2-CD1 4.31Å; T388-I439 HydrophobicContact CG2-CG2 3.68Å; P396-I439 PolarHBondContact O-N 2.95Å; I399-I439 HydrophobicContact CG1-CD1 3.81Å; I435-I439 HydrophobicContact CB-CD1 4.24Å; I435-I439 HydrophobicContact CB-CG1 4.12Å; I435-I439 HydrophobicContact CG1-CD1 3.99Å; I435-I439 HydrophobicContact CG1-CG1 4.2Å; I435-I439 HydrophobicContact CG2-CG1 4.21Å; I439-M442 HydrophobicContact CG2-CG 4.1Å; I439-M442 HydrophobicContact CG2-SD 4.37Å; I439-V453 HydrophobicContact CB-CG1 4.5Å; I439-V453 HydrophobicContact CG1-CG1 4.17Å; I439-V453 HydrophobicContact CG2-CG1 3.66Å |
| 440 | I | 93.5 | Very high | 91.1 | Very high | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.026 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | -4 | -174.4 | 63.5 | 168.7 | 0 | 0 | 0 | 113.3 | H438 N454 R456 I477 F507 F508 I509 | H438-I440 HydrophobicContact CB-CG2 4.5Å; I440-N454 HydrophobicContact CD1-CB 4.36Å; I440-N454 HydrophobicContact CG1-CB 3.75Å; I440-N454 PolarHBondContact N-O 2.82Å; I440-R456 HydrophobicContact CD1-CG 4.04Å; I440-I477 HydrophobicContact CD1-CD1 3.85Å; I440-I477 HydrophobicContact CD1-CG1 3.9Å; I440-I477 HydrophobicContact CD1-CG2 4.09Å; I440-F507 HydrophobicContact CB-CE2 4.18Å; I440-F507 HydrophobicContact CB-CZ 4.21Å; I440-F507 HydrophobicContact CD1-CE2 3.68Å; I440-F507 HydrophobicContact CD1-CZ 3.89Å; I440-F507 HydrophobicContact CG2-CE1 3.98Å; I440-F507 HydrophobicContact CG2-CE2 4.11Å; I440-F507 HydrophobicContact CG2-CZ 3.63Å; I440-F508 CarbonylContact O-C 3.5Å; I440-F508 VanDerWaalsContact O-CA 3.3Å; I440-F508 WeakPolarHBondContact O-CA 3.22Å; I440-I509 HydrophobicContact CD1-CD1 4.09Å; I440-I509 PolarHBondContact O-N 2.81Å |
| 441 | G | 94.1 | Very high | 91.6 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -173.1 | 147 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V453 N454 I509 | G441-V453 CarbonylContact O-C 3.49Å; G441-V453 WeakPolarHBondContact O-CA 3.09Å; G441-N454 PolarHBondContact O-N 2.86Å; G441-I509 WeakPolarHBondContact CA-O 3.48Å |
| 442 | M | 95.8 | Very high | 92 | Very high | 11 Ų | 11 | 29.7 Ų | 29.7 | 5% | 0.054 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.1 | 177.6 | -66.7 | 175.9 | 59.6 | 0 | 0 | 109.7 | T252 M254 T388 I399 I439 L451 Y452 V453 | T252-M442 HydrophobicContact CG2-CB 4.37Å; T252-M442 HydrophobicContact CG2-SD 4.38Å; M254-M442 HydrophobicContact SD-CB 3.74Å; M254-M442 HydrophobicContact SD-CE 4.37Å; T388-M442 HydrophobicContact CG2-CG 4.4Å; T388-M442 HydrophobicContact CG2-SD 3.27Å; T388-M442 WeakPolarHBondContact CG2-SD 3.19Å; I399-M442 HydrophobicContact CG2-CE 4.14Å; I439-M442 HydrophobicContact CG2-CG 4.1Å; I439-M442 HydrophobicContact CG2-SD 4.37Å; M442-L451 HydrophobicContact CB-CD1 4.36Å; M442-L451 HydrophobicContact CE-CD1 3.65Å; M442-L451 HydrophobicContact CE-CD2 3.76Å; M442-L451 HydrophobicContact CE-CG 4.19Å; M442-Y452 CarbonylContact C-O 3.46Å; M442-Y452 VanDerWaalsContact CA-O 3.27Å; M442-Y452 WeakPolarHBondContact CA-O 3.23Å; M442-V453 HydrophobicContact CG-CG1 4.13Å; M442-V453 HydrophobicContact CG-CG2 4.24Å |
| 443 | G | 95.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 27.8 Ų | 27.8 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 145 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y452 | G443-Y452 PolarHBondContact N-O 3.48Å; G443-Y452 PolarHBondContact O-N 3.02Å |
| 444 | L | 95.1 | Very high | 92.5 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 11% | 0.105 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.4 | 178.4 | -73.2 | 169 | 0 | 0 | 0 | 110.3 | M254 A256 L386 L451 L484 | M254-L444 HydrophobicContact CE-CB 4.48Å; M254-L444 HydrophobicContact CE-CD1 4.09Å; M254-L444 HydrophobicContact CE-CG 3.86Å; A256-L444 HydrophobicContact CB-CD1 3.93Å; A256-L444 HydrophobicContact CB-CD2 4.16Å; L386-L444 HydrophobicContact CD1-CD2 3.9Å; L444-L451 HydrophobicContact CD2-CB 4.2Å; L444-L451 HydrophobicContact CD2-CD1 3.93Å; L444-L451 HydrophobicContact CG-CD1 4.45Å; L444-L484 HydrophobicContact CD2-CD1 3.69Å |
| 445 | S | 93.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -64.3 | 153.8 | 163.8 | 61.2 | 0 | 0 | 0 | 0 | 110.7 | D447 H448 R449 Y450 | S445-D447 VanDerWaalsContact CB-OD1 3.25Å; S445-D447 WeakPolarHBondContact CB-OD1 3.33Å; S445-D447 PolarHBondContact O-N 3.48Å; S445-D447 PolarHBondContact OG-OD1 2.96Å; S445-H448 WeakPolarHBondContact O-CA 3.33Å; S445-H448 PolarHBondContact O-CD2 3.36Å; S445-H448 PolarHBondContact O-N 2.98Å; S445-R449 PolarHBondContact OG-N 3.13Å; S445-Y450 PolarHBondContact N-O 2.98Å; S445-Y450 PolarHBondContact OG-N 3.22Å; S445-Y450 PolarHBondContact OG-O 3.14Å | ||
| 446 | P | 90.6 | Very high | 92.9 | Very high | 82 Ų | 82 | 22 Ų | 22 | 53% | 0.532 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -26.3 | -175.6 | -28.4 | 36.2 | 0 | 0 | 0 | 114.9 | H448 V513 | P446-H448 VanDerWaalsContact C-N 3.34Å; P446-V513 VanDerWaalsContact CD-O 3.31Å; P446-V513 WeakPolarHBondContact CD-O 3.4Å; P446-V513 VanDerWaalsContact CG-O 3.28Å; P446-V513 WeakPolarHBondContact CG-O 3.47Å |
| 447 | D | 85.7 | Confident | 93 | Very high | 39 Ų | 39 | 18.6 Ų | 18.6 | 21% | 0.209 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 2.6 | 176 | 62.3 | -10.4 | 0 | 0 | 0 | 113.4 | S445 R449 | S445-D447 VanDerWaalsContact CB-OD1 3.25Å; S445-D447 WeakPolarHBondContact CB-OD1 3.33Å; S445-D447 PolarHBondContact O-N 3.48Å; S445-D447 PolarHBondContact OG-OD1 2.96Å; D447-R449 PolarHBondContact O-N 3.46Å; D447-R449 PolarHBondContact OD1-N 2.91Å |
| 448 | H | 91.3 | Very high | 93.1 | Very high | 49 Ų | 49 | 19.4 Ų | 19.4 | 23% | 0.227 | 10% | 0.1 | C | C | . | . | S | Bend | trans | 52.6 | 22.8 | -174.5 | -60 | 167 | 0 | 0 | 0 | 114.5 | A256 H257 S445 P446 L484 | A256-H448 HydrophobicContact CB-CB 4.41Å; H257-H448 PolarHBondContact N-ND1 3.45Å; H257-H448 PolarHBondContact O-ND1 3.11Å; S445-H448 WeakPolarHBondContact O-CA 3.33Å; S445-H448 PolarHBondContact O-CD2 3.36Å; S445-H448 PolarHBondContact O-N 2.98Å; P446-H448 VanDerWaalsContact C-N 3.34Å; H448-L484 WeakPolarHBondContact O-CD1 3.41Å |
| 449 | R | 88.3 | Confident | 93 | Very high | 77 Ų | 77 | 21.8 Ų | 21.8 | 29% | 0.291 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -80 | -37.9 | 177.1 | 180 | 170.7 | 173.2 | 166.6 | -3.1 | 112.3 | H261 S445 D447 L484 | H261-R449 PolarHBondContact O-NH1 3.39Å; S445-R449 PolarHBondContact OG-N 3.13Å; D447-R449 PolarHBondContact O-N 3.46Å; D447-R449 PolarHBondContact OD1-N 2.91Å; R449-L484 WeakPolarHBondContact O-CB 3.43Å; R449-L484 PolarHBondContact O-N 3.08Å |
| 450 | Y | 91.7 | Very high | 92.7 | Very high | 40 Ų | 40 | 31 Ų | 31 | 16% | 0.157 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 138 | -176.2 | -59.1 | -77 | 0 | 0 | 0 | 110.8 | S445 V481 I482 D483 E490 | S445-Y450 PolarHBondContact N-O 2.98Å; S445-Y450 PolarHBondContact OG-N 3.22Å; S445-Y450 PolarHBondContact OG-O 3.14Å; Y450-V481 HydrophobicContact CD1-CG1 3.99Å; Y450-V481 HydrophobicContact CG-CG1 4.36Å; Y450-I482 CarbonylContact C-O 3.57Å; Y450-I482 VanDerWaalsContact CA-O 3.3Å; Y450-I482 WeakPolarHBondContact CA-O 3.34Å; Y450-D483 HydrophobicContact CD1-CB 4.18Å; Y450-D483 HydrophobicContact CE1-CB 4.04Å; Y450-E490 WeakPolarHBondContact CE1-OE1 3.3Å |
| 451 | L | 95 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 122.9 | 170.1 | 172.1 | 69.5 | 0 | 0 | 0 | 108.5 | L386 I399 M442 L444 V453 I482 L484 | L386-L451 HydrophobicContact CD1-CD1 4.23Å; L386-L451 HydrophobicContact CD1-CD2 4.25Å; I399-L451 HydrophobicContact CD1-CD2 4.21Å; I399-L451 HydrophobicContact CG2-CD2 4.13Å; M442-L451 HydrophobicContact CB-CD1 4.36Å; M442-L451 HydrophobicContact CE-CD1 3.65Å; M442-L451 HydrophobicContact CE-CD2 3.76Å; M442-L451 HydrophobicContact CE-CG 4.19Å; L444-L451 HydrophobicContact CD2-CB 4.2Å; L444-L451 HydrophobicContact CD2-CD1 3.93Å; L444-L451 HydrophobicContact CG-CD1 4.45Å; L451-V453 HydrophobicContact CD1-CG2 4.48Å; L451-V453 HydrophobicContact CD2-CG2 4.05Å; L451-V453 HydrophobicContact CG-CG2 3.8Å; L451-I482 HydrophobicContact CB-CB 4.2Å; L451-I482 HydrophobicContact CD2-CD1 4.13Å; L451-I482 PolarHBondContact N-O 3.23Å; L451-I482 PolarHBondContact O-N 2.99Å; L451-L484 HydrophobicContact CB-CD1 4.24Å; L451-L484 HydrophobicContact CB-CD2 4.08Å; L451-L484 HydrophobicContact CB-CG 4.14Å; L451-L484 HydrophobicContact CD2-CD2 4.42Å |
| 452 | Y | 95.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 2% | 0.024 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 135 | 174.9 | -72.8 | -105 | 0 | 0 | 0 | 109.1 | M442 G443 M479 H480 V481 L494 V513 V518 R532 | M442-Y452 CarbonylContact C-O 3.46Å; M442-Y452 VanDerWaalsContact CA-O 3.27Å; M442-Y452 WeakPolarHBondContact CA-O 3.23Å; G443-Y452 PolarHBondContact N-O 3.48Å; G443-Y452 PolarHBondContact O-N 3.02Å; Y452-M479 HydrophobicContact CD1-CG 4.13Å; Y452-M479 HydrophobicContact CD1-SD 3.75Å; Y452-H480 CarbonylContact C-O 3.57Å; Y452-H480 VanDerWaalsContact CA-O 3.31Å; Y452-H480 WeakPolarHBondContact CA-O 3.39Å; Y452-V481 HydrophobicContact CD1-CG2 3.82Å; Y452-V481 HydrophobicContact CE1-CG1 4.3Å; Y452-V481 HydrophobicContact CE1-CG2 3.53Å; Y452-V481 HydrophobicContact CE2-CG1 4.34Å; Y452-L494 HydrophobicContact CE1-CD1 4.47Å; Y452-V513 HydrophobicContact CD2-CG1 4.22Å; Y452-V513 HydrophobicContact CD2-CG2 3.53Å; Y452-V513 HydrophobicContact CE2-CG1 3.85Å; Y452-V513 HydrophobicContact CE2-CG2 4.03Å; Y452-V513 HydrophobicContact CG-CG2 3.89Å; Y452-V518 HydrophobicContact CD1-CB 4.26Å; Y452-V518 HydrophobicContact CD1-CG1 4.34Å; Y452-V518 HydrophobicContact CD1-CG2 3.79Å; Y452-V518 HydrophobicContact CE1-CB 4.04Å; Y452-V518 HydrophobicContact CE1-CG1 3.93Å; Y452-V518 HydrophobicContact CE1-CG2 4.1Å; Y452-V518 HydrophobicContact CG-CG2 4.25Å; Y452-R532 PolarHBondContact OH-NE 2.78Å |
| 453 | V | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 117.3 | -172.4 | -174.2 | 0 | 0 | 0 | 0 | 109.9 | I399 I439 G441 M442 L451 M479 H480 I482 | I399-V453 HydrophobicContact CD1-CB 4.48Å; I399-V453 HydrophobicContact CD1-CG1 4.22Å; I399-V453 HydrophobicContact CD1-CG2 3.66Å; I439-V453 HydrophobicContact CB-CG1 4.5Å; I439-V453 HydrophobicContact CG1-CG1 4.17Å; I439-V453 HydrophobicContact CG2-CG1 3.66Å; G441-V453 CarbonylContact O-C 3.49Å; G441-V453 WeakPolarHBondContact O-CA 3.09Å; M442-V453 HydrophobicContact CG-CG1 4.13Å; M442-V453 HydrophobicContact CG-CG2 4.24Å; L451-V453 HydrophobicContact CD1-CG2 4.48Å; L451-V453 HydrophobicContact CD2-CG2 4.05Å; L451-V453 HydrophobicContact CG-CG2 3.8Å; V453-M479 CarbonylContact O-C 3.52Å; V453-M479 VanDerWaalsContact O-CA 3.31Å; V453-M479 WeakPolarHBondContact O-CA 3.36Å; V453-H480 HydrophobicContact CB-CB 4.31Å; V453-H480 PolarHBondContact N-O 3.01Å; V453-H480 PolarHBondContact O-CD2 2.72Å; V453-H480 PolarHBondContact O-N 2.81Å; V453-I482 HydrophobicContact CG2-CD1 3.87Å |
| 454 | N | 95.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 128.9 | 170.1 | -79.6 | -4.5 | 0 | 0 | 0 | 110 | I440 G441 I477 D478 M479 H497 L511 S520 | I440-N454 HydrophobicContact CD1-CB 4.36Å; I440-N454 HydrophobicContact CG1-CB 3.75Å; I440-N454 PolarHBondContact N-O 2.82Å; G441-N454 PolarHBondContact O-N 2.86Å; N454-I477 HydrophobicContact CB-CG2 3.74Å; N454-D478 CarbonylContact C-O 3.49Å; N454-M479 WeakPolarHBondContact OD1-CB 3.46Å; N454-M479 VanDerWaalsContact OD1-CE 3.3Å; N454-M479 WeakPolarHBondContact OD1-CE 3.06Å; N454-H497 PolarHBondContact ND2-NE2 3.48Å; N454-L511 HydrophobicContact CB-CD2 4.16Å; N454-S520 PolarHBondContact ND2-OG 2.67Å |
| 455 | S | 94.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.007 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 155 | 174.8 | 92.9 | 0 | 0 | 0 | 0 | 112.9 | I435 H438 I477 D478 H480 | I435-S455 VanDerWaalsContact CG2-CB 3.47Å; H438-S455 CarbonylContact O-C 3.54Å; H438-S455 WeakPolarHBondContact O-CA 3.37Å; H438-S455 WeakPolarHBondContact O-CB 3.32Å; S455-I477 WeakPolarHBondContact O-CA 3.23Å; S455-D478 PolarHBondContact N-O 2.91Å; S455-D478 PolarHBondContact O-N 3.14Å; S455-H480 PolarHBondContact OG-CD2 3.23Å; S455-H480 PolarHBondContact OG-NE2 2.84Å |
| 456 | R | 94 | Very high | 88.3 | Confident | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.026 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 113.3 | 170.5 | -70.1 | 175.7 | 69.5 | -170.8 | -5.9 | 109.6 | G437 H438 I440 I473 A474 I477 A499 T501 F507 | G437-R456 CarbonylContact C-O 3.59Å; G437-R456 WeakPolarHBondContact CA-O 3.33Å; H438-R456 PolarHBondContact N-O 3.49Å; H438-R456 PolarHBondContact O-N 3.06Å; I440-R456 HydrophobicContact CD1-CG 4.04Å; R456-I473 HydrophobicContact CB-CB 4.01Å; R456-I473 HydrophobicContact CB-CD1 4.26Å; R456-I473 HydrophobicContact CB-CG1 4.41Å; R456-I473 VanDerWaalsContact CZ-CD1 3.48Å; R456-A474 VanDerWaalsContact CZ-O 3.3Å; R456-A474 PolarHBondContact NE-O 3.35Å; R456-A474 PolarHBondContact NH2-O 2.93Å; R456-A474 VanDerWaalsContact NH2-O 3.1Å; R456-I477 HydrophobicContact CG-CG1 4.04Å; R456-A499 PolarHBondContact NH2-O 3.09Å; R456-T501 PolarHBondContact NH1-O 3.3Å; R456-F507 VanDerWaalsContact NH1-CZ 3.3Å |
| 457 | A | 92.4 | Very high | 87.7 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 17% | 0.174 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 147.9 | -168 | 0 | 0 | 0 | 0 | 0 | 113.3 | H436 A474 | H436-A457 VanDerWaalsContact O-CA 3.24Å; H436-A457 WeakPolarHBondContact O-CA 3.48Å; A457-A474 PolarHBondContact O-N 3.47Å |
| 458 | W | 91.3 | Very high | 87.5 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 161.3 | 166.2 | -61.6 | -38.2 | 0 | 0 | 0 | 111.5 | L392 T393 H397 H436 H438 K460 I464 P471 | L392-W458 HydrophobicContact CD1-CH2 4.19Å; L392-W458 HydrophobicContact CD1-CZ3 4.04Å; T393-W458 HydrophobicContact CG2-CH2 4.15Å; T393-W458 HydrophobicContact CG2-CZ2 3.8Å; H397-W458 HydrophobicContact CB-CH2 3.58Å; H397-W458 HydrophobicContact CB-CZ2 3.81Å; H397-W458 AromaticContact CD2-CH2 3.66Å; H397-W458 AromaticContact CG-CH2 3.46Å; H397-W458 VanDerWaalsContact CG-CH2 3.46Å; H397-W458 AromaticContact CG-CZ2 3.94Å; H436-W458 AromaticContact CE1-CE3 3.93Å; H436-W458 AromaticContact ND1-CE3 3.72Å; H436-W458 PolarHBondContact NE2-O 3.15Å; H436-W458 PolarHBondContact O-N 3.38Å; H438-W458 AromaticContact CD2-CE2 3.81Å; H438-W458 AromaticContact CD2-CZ2 3.95Å; H438-W458 AromaticContact CD2-NE1 3.16Å; H438-W458 PolarHBondContact CD2-NE1 3.27Å; H438-W458 AromaticContact NE2-NE1 3.23Å; H438-W458 PolarHBondContact NE2-NE1 2.76Å; W458-K460 PolarHBondContact O-N 2.59Å; W458-I464 HydrophobicContact CD2-CD1 4.36Å; W458-I464 HydrophobicContact CE3-CD1 4.01Å; W458-I464 HydrophobicContact CH2-CD1 3.55Å; W458-I464 HydrophobicContact CZ2-CD1 3.94Å; W458-I464 HydrophobicContact CZ3-CD1 3.61Å; W458-P471 HydrophobicContact CB-CG 4.26Å; W458-P471 VanDerWaalsContact CD1-CG 3.44Å; W458-P471 HydrophobicContact CD2-CG 4.1Å; W458-P471 HydrophobicContact CG-CG 3.7Å |
| 459 | P | 89.3 | Confident | 86.9 | Confident | 61 Ų | 61 | 48.8 Ų | 48.8 | 40% | 0.396 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 136.9 | 171.8 | -24.1 | 32.5 | 0 | 0 | 0 | 111.1 | G461 C462 P472 | P459-G461 PolarHBondContact O-N 2.81Å; P459-C462 HydrophobicContact CB-CB 4.33Å; P459-C462 WeakPolarHBondContact O-CB 3.23Å; P459-C462 PolarHBondContact O-N 3.47Å; P459-P472 WeakPolarHBondContact CD-O 3.2Å; P459-P472 HydrophobicContact CG-CG 4.04Å |
| 460 | K | 87.9 | Confident | 86.4 | Confident | 208 Ų | 208 | 45.7 Ų | 45.7 | 90% | 0.904 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 129.6 | 178.4 | -68.3 | -174.9 | 179.9 | 179.5 | 0 | 110.7 | W458 C462 | W458-K460 PolarHBondContact O-N 2.59Å; K460-C462 VanDerWaalsContact C-N 3.26Å; K460-C462 PolarHBondContact O-N 3.42Å |
| 461 | G | 80.9 | Confident | 85.9 | Confident | 75 Ų | 75 | 44.4 Ų | 44.4 | 77% | 0.773 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.2 | 8.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P459 | P459-G461 PolarHBondContact O-N 2.81Š|
| 462 | C | 81.8 | Confident | 85.5 | Confident | 47 Ų | 47 | 48.6 Ų | 48.6 | 32% | 0.318 | 30% | 0.301 | S | S | . | . | trans | -61.3 | 135.6 | 173.7 | -178.4 | 0 | 0 | 0 | 0 | 111.2 | P459 K460 P471 | P459-C462 HydrophobicContact CB-CB 4.33Å; P459-C462 WeakPolarHBondContact O-CB 3.23Å; P459-C462 PolarHBondContact O-N 3.47Å; K460-C462 VanDerWaalsContact C-N 3.26Å; K460-C462 PolarHBondContact O-N 3.42Å; C462-P471 WeakPolarHBondContact SG-CB 3.27Å | ||
| 463 | V | 78 | Confident | 85.3 | Confident | 124 Ų | 124 | 49.4 Ų | 49.4 | 75% | 0.752 | 31% | 0.305 | S | S | * | . | trans | -110.9 | 123.3 | 171.7 | -180 | 0 | 0 | 0 | 0 | 108 | S465 | V463-S465 PolarHBondContact O-N 3.13Š| ||
| 464 | I | 79.7 | Confident | 85.1 | Confident | 39 Ų | 39 | 51.4 Ų | 51.4 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | trans | -83.1 | 103.7 | 178.4 | -62.6 | 154.4 | 0 | 0 | 0 | 107.7 | L392 T393 W458 P471 | L392-I464 HydrophobicContact CB-CD1 3.75Å; L392-I464 HydrophobicContact CD1-CD1 3.9Å; L392-I464 HydrophobicContact CG-CD1 4.45Å; L392-I464 WeakPolarHBondContact O-CG2 3.45Å; T393-I464 HydrophobicContact CG2-CD1 3.89Å; T393-I464 HydrophobicContact CG2-CG2 4.33Å; W458-I464 HydrophobicContact CD2-CD1 4.36Å; W458-I464 HydrophobicContact CE3-CD1 4.01Å; W458-I464 HydrophobicContact CH2-CD1 3.55Å; W458-I464 HydrophobicContact CZ2-CD1 3.94Å; W458-I464 HydrophobicContact CZ3-CD1 3.61Å; I464-P471 HydrophobicContact CG1-CG 4.11Å | ||
| 465 | S | 74.9 | Confident | 85 | Confident | 118 Ų | 118 | 56.3 Ų | 56.3 | 83% | 0.825 | 35% | 0.345 | S | S | * | . | trans | -91 | -31.5 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 113.6 | V463 | V463-S465 PolarHBondContact O-N 3.13Š| ||
| 466 | D | 79.9 | Confident | 85 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 28% | 0.283 | 37% | 0.365 | S | S | . | . | trans | -124.2 | 115.1 | 174 | -176.8 | 9.8 | 0 | 0 | 0 | 109.3 | R340 M468 S469 | R340-D466 IonicContact NH1-OD1 2.82Å; R340-D466 IonicContact NH1-OD2 2.68Å; R340-D466 IonicContact NH2-OD1 3.83Å; D466-M468 PolarHBondContact O-N 2.82Å; D466-M468 VanDerWaalsContact O-N 3.07Å; D466-M468 PolarHBondContact OD1-N 2.89Å; D466-M468 VanDerWaalsContact OD1-N 3.16Å; D466-S469 CarbonylContact O-C 3.51Å; D466-S469 PolarHBondContact O-N 3.34Å | ||
| 467 | P | 78.7 | Confident | 85 | Confident | 20 Ų | 20 | 60.2 Ų | 60.2 | 13% | 0.13 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.1 | 177.7 | -26.8 | 35.3 | 0 | 0 | 0 | 115.1 | M213 N246 L392 Y394 | M213-P467 HydrophobicContact CE-CB 3.76Å; M213-P467 HydrophobicContact CE-CG 3.78Å; N246-P467 HydrophobicContact CB-CB 3.76Å; N246-P467 HydrophobicContact CB-CG 3.95Å; L392-P467 WeakPolarHBondContact O-CB 3.47Å; Y394-P467 WeakPolarHBondContact CD1-O 3.38Å; Y394-P467 PolarHBondContact N-O 3.05Å |
| 468 | M | 81.2 | Confident | 85.1 | Confident | 30 Ų | 30 | 59.8 Ų | 59.8 | 15% | 0.148 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -6.9 | 178.9 | -60.2 | -61.2 | -66 | 0 | 0 | 113.3 | M213 A247 L333 V336 I337 D466 | M213-M468 HydrophobicContact CE-CG 4.3Å; A247-M468 HydrophobicContact CB-SD 4.11Å; L333-M468 HydrophobicContact CD1-CE 3.3Å; L333-M468 HydrophobicContact CD1-SD 3.95Å; L333-M468 HydrophobicContact CD2-CE 4.19Å; L333-M468 HydrophobicContact CG-CE 3.57Å; V336-M468 HydrophobicContact CB-CE 4.09Å; V336-M468 HydrophobicContact CG1-CE 3.58Å; V336-M468 HydrophobicContact CG1-SD 3.84Å; I337-M468 HydrophobicContact CG1-CE 3.97Å; D466-M468 PolarHBondContact O-N 2.82Å; D466-M468 VanDerWaalsContact O-N 3.07Å; D466-M468 PolarHBondContact OD1-N 2.89Å; D466-M468 VanDerWaalsContact OD1-N 3.16Å |
| 469 | S | 78.8 | Confident | 85.2 | Confident | 82 Ų | 82 | 59 Ų | 59 | 57% | 0.573 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -125.3 | 76.7 | 177.6 | -168.1 | 0 | 0 | 0 | 0 | 108.7 | D466 | D466-S469 CarbonylContact O-C 3.51Å; D466-S469 PolarHBondContact O-N 3.34Å |
| 470 | P | 76.7 | Confident | 85.5 | Confident | 12 Ų | 12 | 57 Ų | 57 | 8% | 0.078 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 148.6 | 179.6 | 25.5 | -33.5 | 0 | 0 | 0 | 110.1 | Y394 N503 | Y394-P470 VanDerWaalsContact CE1-CD 3.46Å; Y394-P470 HydrophobicContact CE1-CG 3.79Å; Y394-P470 WeakPolarHBondContact OH-CG 3.47Å; P470-N503 PolarHBondContact O-ND2 3.47Å |
| 471 | P | 82.1 | Confident | 85.7 | Confident | 12 Ų | 12 | 47.3 Ų | 47.3 | 8% | 0.078 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 160.1 | 177.8 | 30 | -35.6 | 0 | 0 | 0 | 110.7 | W458 C462 I464 N503 | W458-P471 HydrophobicContact CB-CG 4.26Å; W458-P471 VanDerWaalsContact CD1-CG 3.44Å; W458-P471 HydrophobicContact CD2-CG 4.1Å; W458-P471 HydrophobicContact CG-CG 3.7Å; C462-P471 WeakPolarHBondContact SG-CB 3.27Å; I464-P471 HydrophobicContact CG1-CG 4.11Å; P471-N503 VanDerWaalsContact C-ND2 3.29Å; P471-N503 PolarHBondContact O-ND2 2.85Å |
| 472 | P | 86.8 | Confident | 86.3 | Confident | 88 Ų | 88 | 43.8 Ų | 43.8 | 57% | 0.571 | 26% | 0.262 | S | S | * | . | P | Polyproline II helix | trans | -57.1 | 150.7 | 172.9 | 26.3 | -34.7 | 0 | 0 | 0 | 110.1 | P459 | P459-P472 WeakPolarHBondContact CD-O 3.2Å; P459-P472 HydrophobicContact CG-CG 4.04Å |
| 473 | I | 90.7 | Very high | 86.6 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 12% | 0.118 | 25% | 0.251 | C | S | . | . | trans | -113.4 | 145.6 | 179.5 | 58.8 | -178.3 | 0 | 0 | 0 | 110.1 | H438 R456 N503 | H438-I473 HydrophobicContact CB-CG2 4.33Å; R456-I473 HydrophobicContact CB-CB 4.01Å; R456-I473 HydrophobicContact CB-CD1 4.26Å; R456-I473 HydrophobicContact CB-CG1 4.41Å; R456-I473 VanDerWaalsContact CZ-CD1 3.48Å; I473-N503 HydrophobicContact CD1-CB 3.94Å; I473-N503 HydrophobicContact CG1-CB 3.9Å; I473-N503 HydrophobicContact CG2-CB 4.11Å | ||
| 474 | A | 91.8 | Very high | 87.1 | Confident | 42 Ų | 42 | 36.3 Ų | 36.3 | 35% | 0.347 | 22% | 0.215 | S | C | . | . | trans | -61 | 149.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R456 A457 E476 | R456-A474 VanDerWaalsContact CZ-O 3.3Å; R456-A474 PolarHBondContact NE-O 3.35Å; R456-A474 PolarHBondContact NH2-O 2.93Å; R456-A474 VanDerWaalsContact NH2-O 3.1Å; A457-A474 PolarHBondContact O-N 3.47Å; A474-E476 VanDerWaalsContact C-N 3.32Å | ||
| 475 | E | 94.1 | Very high | 87.4 | Confident | 104 Ų | 104 | 39 Ų | 39 | 49% | 0.486 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -73.2 | -27.2 | 171.1 | -67.4 | 177.7 | -174.5 | 0 | 0 | 112.4 | R498 A499 F500 | E475-R498 CarbonylContact O-C 3.34Å; E475-R498 WeakPolarHBondContact O-CA 3.45Å; E475-R498 WeakPolarHBondContact O-CB 3.22Å; E475-A499 VanDerWaalsContact CA-O 3.25Å; E475-A499 WeakPolarHBondContact CA-O 3.37Å; E475-A499 PolarHBondContact O-N 2.81Å; E475-F500 HydrophobicContact CG-CD1 4.16Å |
| 476 | E | 94.3 | Very high | 87.8 | Confident | 90 Ų | 90 | 36 Ų | 36 | 42% | 0.421 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 137.6 | 175.8 | -64.1 | -174.7 | 169.4 | 0 | 0 | 110.7 | A474 R495 | A474-E476 VanDerWaalsContact C-N 3.32Å; E476-R495 IonicContact OE2-NH1 2.94Å |
| 477 | I | 94.7 | Very high | 88 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.8 | 173.5 | -57.2 | 164.7 | 0 | 0 | 0 | 108.9 | I440 N454 S455 R456 H497 A499 I509 | I440-I477 HydrophobicContact CD1-CD1 3.85Å; I440-I477 HydrophobicContact CD1-CG1 3.9Å; I440-I477 HydrophobicContact CD1-CG2 4.09Å; N454-I477 HydrophobicContact CB-CG2 3.74Å; S455-I477 WeakPolarHBondContact O-CA 3.23Å; R456-I477 HydrophobicContact CG-CG1 4.04Å; I477-H497 WeakPolarHBondContact CB-NE2 3.45Å; I477-H497 WeakPolarHBondContact CD1-CD2 3.39Å; I477-H497 WeakPolarHBondContact CG2-NE2 3.26Å; I477-H497 PolarHBondContact N-O 3.39Å; I477-A499 HydrophobicContact CD1-CB 3.78Å; I477-A499 HydrophobicContact CG1-CB 4.15Å; I477-I509 HydrophobicContact CD1-CD1 3.55Å |
| 478 | D | 93.6 | Very high | 88.4 | Confident | 11 Ų | 11 | 42 Ų | 42 | 6% | 0.059 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 120.8 | 172.7 | -72.1 | -21.4 | 0 | 0 | 0 | 108.8 | N454 S455 H480 R495 | N454-D478 CarbonylContact C-O 3.49Å; S455-D478 PolarHBondContact N-O 2.91Å; S455-D478 PolarHBondContact O-N 3.14Å; D478-H480 PolarHBondContact O-CD2 3.22Å; D478-R495 VanDerWaalsContact CG-CZ 3.43Å; D478-R495 VanDerWaalsContact OD1-CD 3.31Å; D478-R495 WeakPolarHBondContact OD1-CD 3.34Å; D478-R495 WeakPolarHBondContact OD1-CG 3.44Å; D478-R495 IonicContact OD1-CZ 3.03Å; D478-R495 IonicContact OD1-NE 3.89Å; D478-R495 PolarHBondContact OD1-NE 2.92Å; D478-R495 IonicContact OD1-NH1 3.93Å; D478-R495 PolarHBondContact OD1-NH1 2.86Å; D478-R495 IonicContact OD1-NH2 3.61Å; D478-R495 PolarHBondContact OD1-NH2 2.73Å; D478-R495 IonicContact OD2-CZ 3.99Å; D478-R495 IonicContact OD2-NH1 2.82Å; D478-R495 IonicContact OD2-NH2 3.74Å; D478-R495 PolarHBondContact OD2-NH2 3.09Å |
| 479 | M | 94.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 108.1 | 173 | -175.5 | -174.4 | -67.4 | 0 | 0 | 109.6 | Y452 V453 N454 S493 L494 V518 W530 | Y452-M479 HydrophobicContact CD1-CG 4.13Å; Y452-M479 HydrophobicContact CD1-SD 3.75Å; V453-M479 CarbonylContact O-C 3.52Å; V453-M479 VanDerWaalsContact O-CA 3.31Å; V453-M479 WeakPolarHBondContact O-CA 3.36Å; N454-M479 WeakPolarHBondContact OD1-CB 3.46Å; N454-M479 VanDerWaalsContact OD1-CE 3.3Å; N454-M479 WeakPolarHBondContact OD1-CE 3.06Å; M479-S493 CarbonylContact O-C 3.58Å; M479-S493 VanDerWaalsContact O-CA 3.26Å; M479-S493 WeakPolarHBondContact O-CA 3.27Å; M479-L494 HydrophobicContact CB-CB 4.09Å; M479-L494 PolarHBondContact N-O 2.81Å; M479-L494 PolarHBondContact O-N 3.06Å; M479-L494 HydrophobicContact SD-CB 4.45Å; M479-L494 HydrophobicContact SD-CD1 3.81Å; M479-V518 HydrophobicContact CE-CG2 4.06Å; M479-V518 HydrophobicContact SD-CB 4.47Å; M479-V518 HydrophobicContact SD-CG1 4.04Å; M479-V518 HydrophobicContact SD-CG2 3.56Å; M479-V518 VanDerWaalsContact SD-CG2 3.56Å; M479-W530 HydrophobicContact CE-CE3 4.27Å; M479-W530 HydrophobicContact CE-CH2 4.29Å; M479-W530 HydrophobicContact CE-CZ3 3.84Å |
| 480 | H | 94.1 | Very high | 88.5 | Confident | 19 Ų | 19 | 44.2 Ų | 44.2 | 9% | 0.088 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 146.2 | 177.5 | -55.1 | -94.4 | 0 | 0 | 0 | 110.5 | Y452 V453 S455 D478 E489 | Y452-H480 CarbonylContact C-O 3.57Å; Y452-H480 VanDerWaalsContact CA-O 3.31Å; Y452-H480 WeakPolarHBondContact CA-O 3.39Å; V453-H480 HydrophobicContact CB-CB 4.31Å; V453-H480 PolarHBondContact N-O 3.01Å; V453-H480 PolarHBondContact O-CD2 2.72Å; V453-H480 PolarHBondContact O-N 2.81Å; S455-H480 PolarHBondContact OG-CD2 3.23Å; S455-H480 PolarHBondContact OG-NE2 2.84Å; D478-H480 PolarHBondContact O-CD2 3.22Å; H480-E489 HydrophobicContact CB-CG 4.49Å; H480-E489 IonicContact CE1-OE1 3.69Å; H480-E489 IonicContact CG-OE1 3.84Å; H480-E489 IonicContact ND1-OE1 3.49Å; H480-E489 PolarHBondContact ND1-OE1 3.18Å |
| 481 | V | 93.5 | Very high | 88 | Confident | 5 Ų | 5 | 55.4 Ų | 55.4 | 3% | 0.03 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.1 | 174.9 | -173.8 | 0 | 0 | 0 | 0 | 108 | Y450 Y452 E490 | Y450-V481 HydrophobicContact CD1-CG1 3.99Å; Y450-V481 HydrophobicContact CG-CG1 4.36Å; Y452-V481 HydrophobicContact CD1-CG2 3.82Å; Y452-V481 HydrophobicContact CE1-CG1 4.3Å; Y452-V481 HydrophobicContact CE1-CG2 3.53Å; Y452-V481 HydrophobicContact CE2-CG1 4.34Å; V481-E490 HydrophobicContact CB-CB 4.41Å; V481-E490 PolarHBondContact O-N 3.48Å |
| 482 | I | 91.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 123.9 | -178 | -64.8 | 165.2 | 0 | 0 | 0 | 108.2 | I399 I433 Y450 L451 V453 L484 E489 | I399-I482 HydrophobicContact CD1-CD1 3.31Å; I433-I482 HydrophobicContact CD1-CD1 4Å; I433-I482 HydrophobicContact CD1-CG1 4.37Å; I433-I482 HydrophobicContact CD1-CG2 3.42Å; I433-I482 VanDerWaalsContact CD1-CG2 3.42Å; I433-I482 HydrophobicContact CG2-CD1 4.15Å; Y450-I482 CarbonylContact C-O 3.57Å; Y450-I482 VanDerWaalsContact CA-O 3.3Å; Y450-I482 WeakPolarHBondContact CA-O 3.34Å; L451-I482 HydrophobicContact CB-CB 4.2Å; L451-I482 HydrophobicContact CD2-CD1 4.13Å; L451-I482 PolarHBondContact N-O 3.23Å; L451-I482 PolarHBondContact O-N 2.99Å; V453-I482 HydrophobicContact CG2-CD1 3.87Å; I482-L484 HydrophobicContact CG2-CD2 4.39Å; I482-L484 PolarHBondContact O-N 3.02Å; I482-E489 HydrophobicContact CG1-CB 4.4Å |
| 483 | D | 89.3 | Confident | 86.8 | Confident | 15 Ų | 15 | 59.4 Ų | 59.4 | 8% | 0.08 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 113 | 172.7 | 170.8 | 27.3 | 0 | 0 | 0 | 109.4 | Y450 K485 S486 L487 R488 E490 | Y450-D483 HydrophobicContact CD1-CB 4.18Å; Y450-D483 HydrophobicContact CE1-CB 4.04Å; D483-K485 PolarHBondContact O-N 3.28Å; D483-K485 WeakPolarHBondContact OD1-CB 3.48Å; D483-K485 PolarHBondContact OD1-N 3.41Å; D483-S486 WeakPolarHBondContact CB-OG 3.43Å; D483-S486 PolarHBondContact O-N 2.91Å; D483-S486 VanDerWaalsContact OD2-CB 3.27Å; D483-S486 WeakPolarHBondContact OD2-CB 3.22Å; D483-S486 PolarHBondContact OD2-N 2.89Å; D483-S486 PolarHBondContact OD2-OG 2.74Å; D483-L487 VanDerWaalsContact O-CA 3.22Å; D483-L487 WeakPolarHBondContact O-CA 3.44Å; D483-L487 PolarHBondContact O-N 3.5Å; D483-R488 PolarHBondContact N-O 3.27Å; D483-R488 PolarHBondContact O-N 2.83Å; D483-E490 HydrophobicContact CB-CG 4.37Å |
| 484 | L | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -11 | 179.8 | -65.2 | 179.4 | 0 | 0 | 0 | 112.8 | A256 L386 L444 H448 R449 L451 I482 L487 | A256-L484 HydrophobicContact CB-CD1 3.91Å; L386-L484 HydrophobicContact CD1-CD1 3.98Å; L386-L484 HydrophobicContact CD1-CD2 4.31Å; L386-L484 HydrophobicContact CD2-CD2 4.22Å; L444-L484 HydrophobicContact CD2-CD1 3.69Å; H448-L484 WeakPolarHBondContact O-CD1 3.41Å; R449-L484 WeakPolarHBondContact O-CB 3.43Å; R449-L484 PolarHBondContact O-N 3.08Å; L451-L484 HydrophobicContact CB-CD1 4.24Å; L451-L484 HydrophobicContact CB-CD2 4.08Å; L451-L484 HydrophobicContact CB-CG 4.14Å; L451-L484 HydrophobicContact CD2-CD2 4.42Å; I482-L484 HydrophobicContact CG2-CD2 4.39Å; I482-L484 PolarHBondContact O-N 3.02Å; L484-L487 WeakPolarHBondContact O-CD2 3.43Å |
| 485 | K | 84.4 | Confident | 86.2 | Confident | 94 Ų | 94 | 62.7 Ų | 62.7 | 41% | 0.409 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -51 | 169.6 | -168.7 | -172.2 | -174.9 | -175.5 | 0 | 111.2 | H261 D262 D483 | H261-K485 HydrophobicContact CB-CB 3.95Å; H261-K485 HydrophobicContact CB-CD 3.73Å; H261-K485 HydrophobicContact CB-CG 3.8Å; H261-K485 WeakPolarHBondContact ND1-CB 3.37Å; D262-K485 IonicContact OD1-NZ 2.91Å; D262-K485 PolarHBondContact OD1-NZ 3.39Å; D262-K485 WeakPolarHBondContact OD2-CE 3.47Å; D262-K485 IonicContact OD2-NZ 2.73Å; D262-K485 PolarHBondContact OD2-NZ 3.05Å; D483-K485 PolarHBondContact O-N 3.28Å; D483-K485 WeakPolarHBondContact OD1-CB 3.48Å; D483-K485 PolarHBondContact OD1-N 3.41Å |
| 486 | S | 83.3 | Confident | 85.6 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 39% | 0.392 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -10.7 | -179.5 | 62.3 | 0 | 0 | 0 | 0 | 113.8 | D483 R488 | D483-S486 WeakPolarHBondContact CB-OG 3.43Å; D483-S486 PolarHBondContact O-N 2.91Å; D483-S486 VanDerWaalsContact OD2-CB 3.27Å; D483-S486 WeakPolarHBondContact OD2-CB 3.22Å; D483-S486 PolarHBondContact OD2-N 2.89Å; D483-S486 PolarHBondContact OD2-OG 2.74Å; S486-R488 WeakPolarHBondContact O-CG 3.21Å; S486-R488 PolarHBondContact O-N 3.22Å |
| 487 | L | 85.6 | Confident | 85.5 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 11% | 0.105 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 38 | -173.1 | -56 | 174.9 | 0 | 0 | 0 | 112.1 | I401 H431 D483 L484 | I401-L487 HydrophobicContact CD1-CD2 3.89Å; I401-L487 HydrophobicContact CG2-CD2 4.43Å; H431-L487 HydrophobicContact CB-CD1 4.06Å; H431-L487 PolarHBondContact CD2-O 3.37Å; H431-L487 PolarHBondContact NE2-O 2.93Å; H431-L487 VanDerWaalsContact NE2-O 3.12Å; D483-L487 VanDerWaalsContact O-CA 3.22Å; D483-L487 WeakPolarHBondContact O-CA 3.44Å; D483-L487 PolarHBondContact O-N 3.5Å; L484-L487 WeakPolarHBondContact O-CD2 3.43Å |
| 488 | R | 85.6 | Confident | 85.4 | Confident | 180 Ų | 180 | 60.6 Ų | 60.6 | 68% | 0.679 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.7 | -176.5 | -70.2 | 176.3 | -174.5 | -164 | 0.8 | 111.4 | D483 S486 E490 | D483-R488 PolarHBondContact N-O 3.27Å; D483-R488 PolarHBondContact O-N 2.83Å; S486-R488 WeakPolarHBondContact O-CG 3.21Å; S486-R488 PolarHBondContact O-N 3.22Å; R488-E490 PolarHBondContact O-N 2.97Å |
| 489 | E | 83.9 | Confident | 85.4 | Confident | 79 Ų | 79 | 60 Ų | 60 | 37% | 0.369 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 127 | 171.2 | -169.2 | -172.9 | 171.1 | 0 | 0 | 110.8 | H480 I482 | H480-E489 HydrophobicContact CB-CG 4.49Å; H480-E489 IonicContact CE1-OE1 3.69Å; H480-E489 IonicContact CG-OE1 3.84Å; H480-E489 IonicContact ND1-OE1 3.49Å; H480-E489 PolarHBondContact ND1-OE1 3.18Å; I482-E489 HydrophobicContact CG1-CB 4.4Å |
| 490 | E | 79.3 | Confident | 85.3 | Confident | 79 Ų | 79 | 64.7 Ų | 64.7 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 126.3 | 163.4 | -61.1 | -156.8 | 159.8 | 0 | 0 | 108.8 | Y450 V481 D483 R488 R492 | Y450-E490 WeakPolarHBondContact CE1-OE1 3.3Å; V481-E490 HydrophobicContact CB-CB 4.41Å; V481-E490 PolarHBondContact O-N 3.48Å; D483-E490 HydrophobicContact CB-CG 4.37Å; R488-E490 PolarHBondContact O-N 2.97Å; E490-R492 PolarHBondContact O-N 2.99Å |
| 491 | R | 65.6 | Low | 85 | Confident | 247 Ų | 247 | 64.8 Ų | 64.8 | 93% | 0.932 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 27.8 | -170.3 | -70.2 | -173 | 172.9 | -169.5 | -1.8 | 116.1 | ||
| 492 | R | 68.6 | Low | 84.6 | Confident | 136 Ų | 136 | 67.6 Ų | 67.6 | 51% | 0.513 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 88.8 | -177.9 | -62.7 | -176.3 | -176.3 | -178.5 | 4.2 | 110.1 | E490 N535 | E490-R492 PolarHBondContact O-N 2.99Å; R492-N535 WeakPolarHBondContact CD-ND2 3.34Å; R492-N535 PolarHBondContact NH1-ND2 3.01Å |
| 493 | S | 74.8 | Confident | 84 | Confident | 48 Ų | 48 | 69.4 Ų | 69.4 | 34% | 0.336 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 127.3 | 172.8 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | M479 R495 | M479-S493 CarbonylContact O-C 3.58Å; M479-S493 VanDerWaalsContact O-CA 3.26Å; M479-S493 WeakPolarHBondContact O-CA 3.27Å; S493-R495 PolarHBondContact OG-NE 2.86Å |
| 494 | L | 84.3 | Confident | 83.4 | Confident | 4 Ų | 4 | 73.1 Ų | 73.1 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 135.1 | 168.7 | -54.1 | 168.9 | 0 | 0 | 0 | 109.1 | Y452 M479 V518 W530 N535 | Y452-L494 HydrophobicContact CE1-CD1 4.47Å; M479-L494 HydrophobicContact CB-CB 4.09Å; M479-L494 PolarHBondContact N-O 2.81Å; M479-L494 PolarHBondContact O-N 3.06Å; M479-L494 HydrophobicContact SD-CB 4.45Å; M479-L494 HydrophobicContact SD-CD1 3.81Å; L494-V518 HydrophobicContact CD1-CG1 3.49Å; L494-V518 VanDerWaalsContact CD1-CG1 3.49Å; L494-W530 HydrophobicContact CB-CD2 4.48Å; L494-W530 HydrophobicContact CB-CG 4.3Å; L494-W530 HydrophobicContact CD1-CB 3.9Å; L494-W530 HydrophobicContact CD1-CD2 4.49Å; L494-W530 HydrophobicContact CD1-CG 4.03Å; L494-W530 HydrophobicContact CD2-CB 4.4Å; L494-W530 HydrophobicContact CD2-CG 4.37Å; L494-W530 HydrophobicContact CG-CG 4.48Å; L494-N535 VanDerWaalsContact CD2-CA 3.49Å; L494-N535 HydrophobicContact CD2-CB 3.52Å |
| 495 | R | 85.8 | Confident | 82.9 | Confident | 130 Ų | 130 | 76.3 Ų | 76.3 | 49% | 0.491 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 135.5 | -179.4 | -59.6 | -176.7 | -172.5 | -129.3 | -15.9 | 109.3 | E476 D478 S493 | E476-R495 IonicContact OE2-NH1 2.94Å; D478-R495 VanDerWaalsContact CG-CZ 3.43Å; D478-R495 VanDerWaalsContact OD1-CD 3.31Å; D478-R495 WeakPolarHBondContact OD1-CD 3.34Å; D478-R495 WeakPolarHBondContact OD1-CG 3.44Å; D478-R495 IonicContact OD1-CZ 3.03Å; D478-R495 IonicContact OD1-NE 3.89Å; D478-R495 PolarHBondContact OD1-NE 2.92Å; D478-R495 IonicContact OD1-NH1 3.93Å; D478-R495 PolarHBondContact OD1-NH1 2.86Å; D478-R495 IonicContact OD1-NH2 3.61Å; D478-R495 PolarHBondContact OD1-NH2 2.73Å; D478-R495 IonicContact OD2-CZ 3.99Å; D478-R495 IonicContact OD2-NH1 2.82Å; D478-R495 IonicContact OD2-NH2 3.74Å; D478-R495 PolarHBondContact OD2-NH2 3.09Å; S493-R495 PolarHBondContact OG-NE 2.86Å |
| 496 | A | 82.3 | Confident | 82.3 | Confident | 39 Ų | 39 | 74.2 Ų | 74.2 | 32% | 0.322 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.5 | -33.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y528 W530 C537 | A496-Y528 HydrophobicContact CB-CD1 3.7Å; A496-Y528 HydrophobicContact CB-CE1 3.85Å; A496-Y528 HydrophobicContact CB-CG 4.35Å; A496-W530 HydrophobicContact CB-CZ2 3.61Å; A496-C537 HydrophobicContact CB-CB 4.37Å |
| 497 | H | 91.2 | Very high | 82.2 | Confident | 1 Ų | 1 | 73 Ų | 73 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 158.3 | -169.8 | 61.1 | -65.6 | 0 | 0 | 0 | 112.2 | N454 I477 G521 A522 Y528 W530 | N454-H497 PolarHBondContact ND2-NE2 3.48Å; I477-H497 WeakPolarHBondContact CB-NE2 3.45Å; I477-H497 WeakPolarHBondContact CD1-CD2 3.39Å; I477-H497 WeakPolarHBondContact CG2-NE2 3.26Å; I477-H497 PolarHBondContact N-O 3.39Å; H497-G521 PolarHBondContact CD2-O 2.9Å; H497-A522 HydrophobicContact CB-CB 3.73Å; H497-Y528 HydrophobicContact CB-CD2 3.46Å; H497-Y528 VanDerWaalsContact CB-CD2 3.46Å; H497-Y528 HydrophobicContact CB-CE2 3.57Å; H497-Y528 HydrophobicContact CB-CG 4.2Å; H497-W530 HydrophobicContact CB-CH2 4.39Å; H497-W530 AromaticContact CE1-CH2 3.66Å; H497-W530 AromaticContact CG-CH2 3.91Å; H497-W530 AromaticContact ND1-CH2 3.21Å; H497-W530 WeakPolarHBondContact ND1-CH2 3.44Å; H497-W530 AromaticContact ND1-CZ2 3.44Å; H497-W530 WeakPolarHBondContact ND1-CZ2 3.39Å |
| 498 | R | 94.3 | Very high | 82.4 | Confident | 109 Ų | 109 | 73.8 Ų | 73.8 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 154.8 | -172.9 | -61.1 | -178.3 | 177.9 | -167 | -4.4 | 112.5 | E475 F500 E523 D524 | E475-R498 CarbonylContact O-C 3.34Å; E475-R498 WeakPolarHBondContact O-CA 3.45Å; E475-R498 WeakPolarHBondContact O-CB 3.22Å; R498-F500 HydrophobicContact CB-CE1 4.43Å; R498-F500 HydrophobicContact CB-CZ 4.13Å; R498-E523 PolarHBondContact O-N 3.31Å; R498-D524 HydrophobicContact CB-CB 4.39Å |
| 499 | A | 93.3 | Very high | 82.8 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | trans | -135.1 | 148.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | R456 E475 I477 F507 I509 E523 | R456-A499 PolarHBondContact NH2-O 3.09Å; E475-A499 VanDerWaalsContact CA-O 3.25Å; E475-A499 WeakPolarHBondContact CA-O 3.37Å; E475-A499 PolarHBondContact O-N 2.81Å; I477-A499 HydrophobicContact CD1-CB 3.78Å; I477-A499 HydrophobicContact CG1-CB 4.15Å; A499-F507 HydrophobicContact CB-CE2 3.64Å; A499-F507 HydrophobicContact CB-CZ 3.85Å; A499-I509 HydrophobicContact CB-CD1 4.32Å; A499-E523 HydrophobicContact CB-CB 4.49Å; A499-E523 HydrophobicContact CB-CG 3.94Å; A499-E523 WeakPolarHBondContact CB-OE1 3.18Å | ||
| 500 | F | 91.8 | Very high | 83.5 | Confident | 97 Ų | 97 | 62.7 Ų | 62.7 | 43% | 0.425 | 29% | 0.292 | S | S | . | . | trans | -120.1 | -13.8 | -173.7 | -51.4 | -69.3 | 0 | 0 | 0 | 112.6 | E475 R498 E523 D524 | E475-F500 HydrophobicContact CG-CD1 4.16Å; R498-F500 HydrophobicContact CB-CE1 4.43Å; R498-F500 HydrophobicContact CB-CZ 4.13Å; F500-E523 WeakPolarHBondContact CA-OE2 3.39Å; F500-E523 HydrophobicContact CD2-CB 3.73Å; F500-E523 HydrophobicContact CE2-CB 4.21Å; F500-E523 PolarHBondContact N-OE2 3.24Å; F500-D524 HydrophobicContact CE2-CB 4.18Å; F500-D524 HydrophobicContact CZ-CB 4.3Å | ||
| 501 | T | 87.8 | Confident | 84.3 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 14% | 0.135 | 28% | 0.277 | C | S | . | . | trans | -50.1 | 132.1 | 175.9 | -61.5 | 0 | 0 | 0 | 0 | 111.1 | R456 E505 F507 E523 | R456-T501 PolarHBondContact NH1-O 3.3Å; T501-E505 HydrophobicContact CG2-CB 3.5Å; T501-F507 HydrophobicContact CG2-CB 4.04Å; T501-F507 HydrophobicContact CG2-CD1 3.31Å; T501-F507 HydrophobicContact CG2-CE1 3.97Å; T501-F507 HydrophobicContact CG2-CG 3.82Å; T501-E523 VanDerWaalsContact CB-OE1 3.27Å; T501-E523 WeakPolarHBondContact CB-OE1 3.44Å; T501-E523 PolarHBondContact N-OE1 3.39Å; T501-E523 PolarHBondContact N-OE2 3.47Å; T501-E523 PolarHBondContact OG1-OE1 3.4Å; T501-E523 PolarHBondContact OG1-OE2 2.96Å | ||
| 502 | P | 85.2 | Confident | 85.9 | Confident | 63 Ų | 63 | 49.8 Ų | 49.8 | 41% | 0.409 | 24% | 0.244 | S | C | . | . | trans | -58 | 162.9 | 176.9 | -30.1 | 39.4 | 0 | 0 | 0 | 114.2 | D504 E505 | P502-D504 VanDerWaalsContact C-N 3.25Å; P502-D504 WeakPolarHBondContact CB-OD1 3.35Å; P502-D504 PolarHBondContact O-N 2.83Å; P502-E505 PolarHBondContact O-N 2.94Å | ||
| 503 | N | 79.6 | Confident | 87.2 | Confident | 38 Ų | 38 | 43.6 Ų | 43.6 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -12.9 | -177 | 67 | -22.9 | 0 | 0 | 0 | 114.5 | H438 P470 P471 I473 | H438-N503 PolarHBondContact CE1-O 3.13Å; P470-N503 PolarHBondContact O-ND2 3.47Å; P471-N503 VanDerWaalsContact C-ND2 3.29Å; P471-N503 PolarHBondContact O-ND2 2.85Å; I473-N503 HydrophobicContact CD1-CB 3.94Å; I473-N503 HydrophobicContact CG1-CB 3.9Å; I473-N503 HydrophobicContact CG2-CB 4.11Å |
| 504 | D | 76.8 | Confident | 88.2 | Confident | 94 Ų | 94 | 41.6 Ų | 41.6 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -7.2 | 177.6 | 58.9 | -20.4 | 0 | 0 | 0 | 113.6 | Y394 P502 | Y394-D504 WeakPolarHBondContact OH-CA 3.34Å; P502-D504 VanDerWaalsContact C-N 3.25Å; P502-D504 WeakPolarHBondContact CB-OD1 3.35Å; P502-D504 PolarHBondContact O-N 2.83Å |
| 505 | E | 78.1 | Confident | 88.4 | Confident | 67 Ų | 67 | 44.5 Ų | 44.5 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -100.2 | 146.6 | 173 | -74 | -175.4 | -159.9 | 0 | 0 | 111.9 | Q327 T501 P502 | Q327-E505 PolarHBondContact NE2-OE2 3.43Å; Q327-E505 PolarHBondContact OE1-OE1 3.34Å; T501-E505 HydrophobicContact CG2-CB 3.5Å; P502-E505 PolarHBondContact O-N 2.94Å |
| 506 | C | 71.8 | Confident | 88.7 | Confident | 49 Ų | 49 | 38.7 Ų | 38.7 | 33% | 0.331 | 20% | 0.196 | S | C | . | . | trans | -95.9 | 120.6 | 173 | -173.7 | 0 | 0 | 0 | 0 | 109.5 | R251 F508 | R251-C506 PolarHBondContact NH1-SG 3.24Å; C506-F508 WeakPolarHBondContact SG-CE2 3.48Å; C506-F508 WeakPolarHBondContact SG-CZ 3.47Å | ||
| 507 | F | 81.8 | Confident | 89.3 | Confident | 32 Ų | 32 | 36.8 Ų | 36.8 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | trans | -137 | 153.4 | 174.2 | 72 | -76.8 | 0 | 0 | 0 | 109.4 | I440 R456 A499 T501 I509 E523 | I440-F507 HydrophobicContact CB-CE2 4.18Å; I440-F507 HydrophobicContact CB-CZ 4.21Å; I440-F507 HydrophobicContact CD1-CE2 3.68Å; I440-F507 HydrophobicContact CD1-CZ 3.89Å; I440-F507 HydrophobicContact CG2-CE1 3.98Å; I440-F507 HydrophobicContact CG2-CE2 4.11Å; I440-F507 HydrophobicContact CG2-CZ 3.63Å; R456-F507 VanDerWaalsContact NH1-CZ 3.3Å; A499-F507 HydrophobicContact CB-CE2 3.64Å; A499-F507 HydrophobicContact CB-CZ 3.85Å; T501-F507 HydrophobicContact CG2-CB 4.04Å; T501-F507 HydrophobicContact CG2-CD1 3.31Å; T501-F507 HydrophobicContact CG2-CE1 3.97Å; T501-F507 HydrophobicContact CG2-CG 3.82Å; F507-I509 HydrophobicContact CD2-CG1 4.38Å; F507-I509 HydrophobicContact CE2-CD1 4.2Å; F507-I509 HydrophobicContact CE2-CG1 4.37Å; F507-E523 VanDerWaalsContact CD2-OE1 3.26Å; F507-E523 WeakPolarHBondContact CD2-OE1 3.48Å; F507-E523 WeakPolarHBondContact CE2-OE1 3.42Å | ||
| 508 | F | 89.5 | Confident | 89.6 | Confident | 36 Ų | 36 | 36.8 Ų | 36.8 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | trans | -127.9 | 137.8 | -177.2 | -64.1 | -82.9 | 0 | 0 | 0 | 110 | D191 F193 I440 C506 F510 | D191-F508 HydrophobicContact CB-CE2 4.16Å; D191-F508 HydrophobicContact CB-CZ 4Å; F193-F508 HydrophobicContact CE2-CD1 4.17Å; F193-F508 HydrophobicContact CE2-CD2 4.16Å; F193-F508 HydrophobicContact CE2-CE1 4.02Å; F193-F508 HydrophobicContact CE2-CE2 4.01Å; F193-F508 HydrophobicContact CE2-CG 4.23Å; F193-F508 AromaticContact CE2-CZ 3.93Å; F193-F508 HydrophobicContact CE2-CZ 3.93Å; F193-F508 AromaticContact CZ-CD2 3.68Å; F193-F508 HydrophobicContact CZ-CD2 3.68Å; F193-F508 HydrophobicContact CZ-CE1 4.36Å; F193-F508 AromaticContact CZ-CE2 3.51Å; F193-F508 HydrophobicContact CZ-CE2 3.51Å; F193-F508 HydrophobicContact CZ-CG 4.18Å; F193-F508 AromaticContact CZ-CZ 3.88Å; F193-F508 HydrophobicContact CZ-CZ 3.88Å; I440-F508 CarbonylContact O-C 3.5Å; I440-F508 VanDerWaalsContact O-CA 3.3Å; I440-F508 WeakPolarHBondContact O-CA 3.22Å; C506-F508 WeakPolarHBondContact SG-CE2 3.48Å; C506-F508 WeakPolarHBondContact SG-CZ 3.47Å; F508-F510 HydrophobicContact CB-CD2 4.42Å; F508-F510 HydrophobicContact CB-CE2 3.87Å; F508-F510 HydrophobicContact CB-CZ 3.98Å; F508-F510 HydrophobicContact CG-CZ 4.48Å | ||
| 509 | I | 94.4 | Very high | 89.8 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | trans | -119.4 | 105.9 | 169.3 | -62.9 | 178.2 | 0 | 0 | 0 | 107 | I440 G441 I477 A499 F507 L511 S520 G521 N548 | I440-I509 HydrophobicContact CD1-CD1 4.09Å; I440-I509 PolarHBondContact O-N 2.81Å; G441-I509 WeakPolarHBondContact CA-O 3.48Å; I477-I509 HydrophobicContact CD1-CD1 3.55Å; A499-I509 HydrophobicContact CB-CD1 4.32Å; F507-I509 HydrophobicContact CD2-CG1 4.38Å; F507-I509 HydrophobicContact CE2-CD1 4.2Å; F507-I509 HydrophobicContact CE2-CG1 4.37Å; I509-L511 PolarHBondContact O-N 2.81Å; I509-S520 WeakPolarHBondContact CG2-OG 3.47Å; I509-G521 WeakPolarHBondContact CG2-O 3.48Å; I509-N548 WeakPolarHBondContact CA-O 3.44Å | ||
| 510 | F | 96.8 | Very high | 90.1 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | 116.4 | -179.7 | -60.3 | -85.9 | 0 | 0 | 0 | 109.6 | L94 H95 F144 F193 F508 N548 S549 V550 | L94-F510 WeakPolarHBondContact O-CD2 3.41Å; H95-F510 HydrophobicContact CB-CE2 4.47Å; H95-F510 AromaticContact CD2-CD1 3.51Å; H95-F510 AromaticContact CD2-CD2 3.64Å; H95-F510 AromaticContact CD2-CE1 3.76Å; H95-F510 AromaticContact CD2-CE2 3.87Å; H95-F510 AromaticContact CD2-CG 3.45Å; H95-F510 VanDerWaalsContact CD2-CG 3.45Å; H95-F510 WeakPolarHBondContact CD2-CG 3.37Å; H95-F510 AromaticContact CD2-CZ 3.92Å; H95-F510 AromaticContact NE2-CD1 3.77Å; F144-F510 HydrophobicContact CD2-CD1 4.32Å; F144-F510 AromaticContact CD2-CE1 3.66Å; F144-F510 HydrophobicContact CD2-CE1 3.66Å; F144-F510 HydrophobicContact CD2-CZ 4.13Å; F144-F510 HydrophobicContact CE2-CE1 4.17Å; F193-F510 HydrophobicContact CE2-CE1 4.21Å; F193-F510 AromaticContact CE2-CZ 3.97Å; F193-F510 HydrophobicContact CE2-CZ 3.97Å; F193-F510 HydrophobicContact CZ-CZ 4.22Å; F508-F510 HydrophobicContact CB-CD2 4.42Å; F508-F510 HydrophobicContact CB-CE2 3.87Å; F508-F510 HydrophobicContact CB-CZ 3.98Å; F508-F510 HydrophobicContact CG-CZ 4.48Å; F510-N548 PolarHBondContact N-O 2.47Å; F510-S549 WeakPolarHBondContact O-CA 3.24Å; F510-V550 PolarHBondContact O-N 2.94Å; F510-V550 VanDerWaalsContact O-N 3.16Å |
| 511 | L | 97.4 | Very high | 90.3 | Very high | 10 Ų | 10 | 27 Ų | 27 | 5% | 0.052 | 14% | 0.141 | C | C | . | . | trans | -100.5 | 156.3 | 177.2 | 71.3 | 97.8 | 0 | 0 | 0 | 109.6 | N454 I509 V513 V518 A519 | N454-L511 HydrophobicContact CB-CD2 4.16Å; I509-L511 PolarHBondContact O-N 2.81Å; L511-V513 HydrophobicContact CD1-CG2 4.09Å; L511-V518 HydrophobicContact CD1-CG2 4.33Å; L511-A519 WeakPolarHBondContact CA-O 3.34Å; L511-A519 VanDerWaalsContact CB-O 3.3Å; L511-A519 WeakPolarHBondContact CB-O 3.33Å | ||
| 512 | D | 98.3 | Very high | 90.8 | Very high | 45 Ų | 45 | 25.9 Ų | 25.9 | 24% | 0.241 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 155.2 | 176.3 | -167 | 23.2 | 0 | 0 | 0 | 111.8 | A519 V550 A551 F552 | D512-A519 PolarHBondContact N-O 2.81Å; D512-A519 PolarHBondContact O-N 2.83Å; D512-V550 WeakPolarHBondContact CB-O 3.36Å; D512-A551 WeakPolarHBondContact OD2-CA 3.29Å; D512-F552 HydrophobicContact CB-CD2 4.32Å; D512-F552 WeakPolarHBondContact O-CE2 3.26Å; D512-F552 PolarHBondContact OD2-N 3.2Å |
| 513 | V | 96.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.03 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.6 | -168.6 | -170.5 | 0 | 0 | 0 | 0 | 109.1 | P446 Y452 L511 V518 | P446-V513 VanDerWaalsContact CD-O 3.31Å; P446-V513 WeakPolarHBondContact CD-O 3.4Å; P446-V513 VanDerWaalsContact CG-O 3.28Å; P446-V513 WeakPolarHBondContact CG-O 3.47Å; Y452-V513 HydrophobicContact CD2-CG1 4.22Å; Y452-V513 HydrophobicContact CD2-CG2 3.53Å; Y452-V513 HydrophobicContact CE2-CG1 3.85Å; Y452-V513 HydrophobicContact CE2-CG2 4.03Å; Y452-V513 HydrophobicContact CG-CG2 3.89Å; L511-V513 HydrophobicContact CD1-CG2 4.09Å; V513-V518 HydrophobicContact CG1-CB 4.46Å; V513-V518 HydrophobicContact CG2-CB 4.41Å; V513-V518 HydrophobicContact CG2-CG2 3.9Å |
| 514 | S | 94.9 | Very high | 92.2 | Very high | 6 Ų | 6 | 23.4 Ų | 23.4 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | trans | -96.4 | -175.6 | 168.3 | 66.8 | 0 | 0 | 0 | 0 | 110.7 | D516 F517 R532 | S514-D516 PolarHBondContact O-N 3.36Å; S514-F517 PolarHBondContact N-O 2.85Å; S514-F517 WeakPolarHBondContact OG-CB 3.49Å; S514-F517 PolarHBondContact OG-N 3Å; S514-F517 PolarHBondContact OG-O 2.82Å; S514-R532 VanDerWaalsContact O-CD 3.28Å; S514-R532 WeakPolarHBondContact O-CD 3.5Å; S514-R532 PolarHBondContact O-NH1 3.36Å | ||
| 515 | R | 89.9 | Confident | 93.2 | Very high | 66 Ų | 66 | 23.2 Ų | 23.2 | 25% | 0.249 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -55.9 | -49.6 | 178.5 | -175.6 | -174.1 | 173.2 | -107.2 | 17.4 | 112.6 | L267 R532 | L267-R515 HydrophobicContact CD2-CG 3.59Å; L267-R515 PolarHBondContact O-NE 2.85Å; L267-R515 PolarHBondContact O-NH2 2.93Å; R515-R532 WeakPolarHBondContact O-CD 3.4Å; R515-R532 PolarHBondContact O-NH1 2.91Å |
| 516 | D | 91.1 | Very high | 94.2 | Very high | 7 Ų | 7 | 21.8 Ų | 21.8 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -106 | -19.9 | -173.2 | -62.7 | -20.2 | 0 | 0 | 0 | 113 | R73 S514 R532 Q557 | R73-D516 IonicContact NH1-OD2 2.89Å; S514-D516 PolarHBondContact O-N 3.36Å; D516-R532 WeakPolarHBondContact O-CG 3.13Å; D516-R532 PolarHBondContact O-N 3.49Å; D516-Q557 PolarHBondContact OD2-NE2 3.13Å; D516-Q557 PolarHBondContact OD2-OE1 3.24Å |
| 517 | F | 95.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 154.9 | -171.3 | -50 | -63.5 | 0 | 0 | 0 | 112.8 | L74 I78 S514 I529 W530 L538 F552 | L74-F517 HydrophobicContact CD2-CE1 4.27Å; I78-F517 HydrophobicContact CG1-CE1 4.35Å; I78-F517 HydrophobicContact CG1-CZ 4.35Å; S514-F517 PolarHBondContact N-O 2.85Å; S514-F517 WeakPolarHBondContact OG-CB 3.49Å; S514-F517 PolarHBondContact OG-N 3Å; S514-F517 PolarHBondContact OG-O 2.82Å; F517-I529 HydrophobicContact CB-CG2 3.86Å; F517-I529 HydrophobicContact CD1-CG2 4.28Å; F517-I529 HydrophobicContact CG-CG2 4.16Å; F517-W530 VanDerWaalsContact CA-O 3.26Å; F517-W530 WeakPolarHBondContact CA-O 3.1Å; F517-L538 HydrophobicContact CD1-CD1 3.79Å; F517-L538 HydrophobicContact CE1-CD1 3.54Å; F517-F552 HydrophobicContact CB-CE1 4.15Å; F517-F552 HydrophobicContact CB-CE2 4.41Å; F517-F552 HydrophobicContact CB-CZ 3.66Å; F517-F552 HydrophobicContact CD2-CE1 4.5Å |
| 518 | V | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 144 | 163.2 | 56.4 | 0 | 0 | 0 | 0 | 108.1 | Y452 M479 L494 L511 V513 I529 W530 R532 | Y452-V518 HydrophobicContact CD1-CB 4.26Å; Y452-V518 HydrophobicContact CD1-CG1 4.34Å; Y452-V518 HydrophobicContact CD1-CG2 3.79Å; Y452-V518 HydrophobicContact CE1-CB 4.04Å; Y452-V518 HydrophobicContact CE1-CG1 3.93Å; Y452-V518 HydrophobicContact CE1-CG2 4.1Å; Y452-V518 HydrophobicContact CG-CG2 4.25Å; M479-V518 HydrophobicContact CE-CG2 4.06Å; M479-V518 HydrophobicContact SD-CB 4.47Å; M479-V518 HydrophobicContact SD-CG1 4.04Å; M479-V518 HydrophobicContact SD-CG2 3.56Å; M479-V518 VanDerWaalsContact SD-CG2 3.56Å; L494-V518 HydrophobicContact CD1-CG1 3.49Å; L494-V518 VanDerWaalsContact CD1-CG1 3.49Å; L511-V518 HydrophobicContact CD1-CG2 4.33Å; V513-V518 HydrophobicContact CG1-CB 4.46Å; V513-V518 HydrophobicContact CG2-CB 4.41Å; V513-V518 HydrophobicContact CG2-CG2 3.9Å; V518-I529 CarbonylContact O-C 3.58Å; V518-I529 WeakPolarHBondContact O-CA 3.2Å; V518-W530 HydrophobicContact CG1-CB 3.9Å; V518-W530 HydrophobicContact CG1-CE3 4.4Å; V518-W530 PolarHBondContact N-O 3.07Å; V518-W530 PolarHBondContact O-N 2.73Å; V518-R532 HydrophobicContact CB-CG 4.44Å; V518-R532 HydrophobicContact CG1-CG 4.47Å |
| 519 | A | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 151.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111 | L511 D512 Y528 I529 V550 F552 L560 | L511-A519 WeakPolarHBondContact CA-O 3.34Å; L511-A519 VanDerWaalsContact CB-O 3.3Å; L511-A519 WeakPolarHBondContact CB-O 3.33Å; D512-A519 PolarHBondContact N-O 2.81Å; D512-A519 PolarHBondContact O-N 2.83Å; A519-Y528 CarbonylContact C-O 3.58Å; A519-Y528 WeakPolarHBondContact CA-O 3.23Å; A519-Y528 WeakPolarHBondContact CB-O 3.13Å; A519-I529 HydrophobicContact CB-CG1 4.17Å; A519-V550 VanDerWaalsContact C-CG2 3.43Å; A519-V550 HydrophobicContact CB-CB 4.36Å; A519-V550 HydrophobicContact CB-CG2 3.7Å; A519-V550 VanDerWaalsContact O-CG2 3.32Å; A519-V550 WeakPolarHBondContact O-CG2 3.42Å; A519-F552 HydrophobicContact CB-CD2 4.49Å; A519-F552 HydrophobicContact CB-CE2 3.51Å; A519-F552 HydrophobicContact CB-CZ 3.7Å; A519-L560 HydrophobicContact CB-CD1 4.06Å; A519-L560 HydrophobicContact CB-CD2 4.24Å |
| 520 | S | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 150.8 | 174.5 | -166.6 | 0 | 0 | 0 | 0 | 111.5 | N454 I509 G527 Y528 | N454-S520 PolarHBondContact ND2-OG 2.67Å; I509-S520 WeakPolarHBondContact CG2-OG 3.47Å; S520-G527 CarbonylContact O-C 3.59Å; S520-G527 WeakPolarHBondContact O-CA 3.45Å; S520-Y528 PolarHBondContact N-O 2.82Å; S520-Y528 PolarHBondContact O-N 3.3Å |
| 521 | G | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 7% | 0.073 | C | C | . | . | trans | -77.7 | -179.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H497 I509 H526 V547 | H497-G521 PolarHBondContact CD2-O 2.9Å; I509-G521 WeakPolarHBondContact CG2-O 3.48Å; G521-H526 CarbonylContact C-O 3.58Å; G521-V547 CarbonylContact C-O 3.47Å; G521-V547 VanDerWaalsContact CA-O 3.3Å; G521-V547 WeakPolarHBondContact CA-O 3.32Å | ||
| 522 | A | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.078 | C | C | . | . | trans | -161.5 | 153.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | H497 D524 H526 Y528 V547 | H497-A522 HydrophobicContact CB-CB 3.73Å; A522-D524 VanDerWaalsContact CB-OD1 3.26Å; A522-D524 WeakPolarHBondContact CB-OD1 3.25Å; A522-D524 PolarHBondContact O-N 3.45Å; A522-H526 WeakPolarHBondContact CB-O 3.35Å; A522-H526 PolarHBondContact N-O 2.75Å; A522-H526 VanDerWaalsContact N-O 3.14Å; A522-Y528 HydrophobicContact CB-CD2 4.28Å; A522-Y528 HydrophobicContact CB-CE2 3.94Å; A522-V547 PolarHBondContact N-O 3.37Å; A522-V547 VanDerWaalsContact N-O 3.11Å; A522-V547 PolarHBondContact O-N 2.82Å | ||
| 523 | E | 97.3 | Very high | 96 | Very high | 24 Ų | 24 | 17.1 Ų | 17.1 | 11% | 0.112 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -5.3 | 170.4 | -53.4 | 179.1 | -159.3 | 0 | 0 | 112.6 | R498 A499 F500 T501 F507 K525 V546 | R498-E523 PolarHBondContact O-N 3.31Å; A499-E523 HydrophobicContact CB-CB 4.49Å; A499-E523 HydrophobicContact CB-CG 3.94Å; A499-E523 WeakPolarHBondContact CB-OE1 3.18Å; F500-E523 WeakPolarHBondContact CA-OE2 3.39Å; F500-E523 HydrophobicContact CD2-CB 3.73Å; F500-E523 HydrophobicContact CE2-CB 4.21Å; F500-E523 PolarHBondContact N-OE2 3.24Å; T501-E523 VanDerWaalsContact CB-OE1 3.27Å; T501-E523 WeakPolarHBondContact CB-OE1 3.44Å; T501-E523 PolarHBondContact N-OE1 3.39Å; T501-E523 PolarHBondContact N-OE2 3.47Å; T501-E523 PolarHBondContact OG1-OE1 3.4Å; T501-E523 PolarHBondContact OG1-OE2 2.96Å; F507-E523 VanDerWaalsContact CD2-OE1 3.26Å; F507-E523 WeakPolarHBondContact CD2-OE1 3.48Å; F507-E523 WeakPolarHBondContact CE2-OE1 3.42Å; E523-K525 PolarHBondContact O-N 3.33Å; E523-K525 VanDerWaalsContact O-N 3.15Å; E523-V546 HydrophobicContact CB-CG1 4.21Å; E523-V546 HydrophobicContact CB-CG2 3.93Å; E523-V546 HydrophobicContact CG-CG1 3.82Å; E523-V546 HydrophobicContact CG-CG2 4.17Å |
| 524 | D | 96.5 | Very high | 95.7 | Very high | 24 Ų | 24 | 17.4 Ų | 17.4 | 13% | 0.128 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 13.1 | 170.9 | 76.7 | 13.5 | 0 | 0 | 0 | 113.8 | R498 F500 A522 H526 Y528 | R498-D524 HydrophobicContact CB-CB 4.39Å; F500-D524 HydrophobicContact CE2-CB 4.18Å; F500-D524 HydrophobicContact CZ-CB 4.3Å; A522-D524 VanDerWaalsContact CB-OD1 3.26Å; A522-D524 WeakPolarHBondContact CB-OD1 3.25Å; A522-D524 PolarHBondContact O-N 3.45Å; D524-H526 PolarHBondContact O-CE1 3.24Å; D524-H526 PolarHBondContact O-ND1 3.04Å; D524-H526 WeakPolarHBondContact OD1-CB 3.37Å; D524-H526 IonicContact OD1-CG 3.43Å; D524-H526 PolarHBondContact OD1-N 2.9Å; D524-H526 VanDerWaalsContact OD1-N 3.16Å; D524-H526 IonicContact OD1-ND1 3.65Å; D524-H526 PolarHBondContact OD1-ND1 3.46Å; D524-Y528 WeakPolarHBondContact OD1-CE2 3.24Å; D524-Y528 WeakPolarHBondContact OD2-CE2 3.33Å; D524-Y528 PolarHBondContact OD2-OH 2.69Å |
| 525 | K | 97.9 | Very high | 95.4 | Very high | 90 Ų | 90 | 19 Ų | 19 | 39% | 0.391 | 8% | 0.084 | S | C | . | . | S | Bend | trans | 70.9 | 23.2 | 179.3 | -46.4 | -176.7 | 167.4 | -148.4 | 0 | 115.3 | E523 H543 D544 D545 | E523-K525 PolarHBondContact O-N 3.33Å; E523-K525 VanDerWaalsContact O-N 3.15Å; K525-H543 PolarHBondContact O-N 2.79Å; K525-D544 WeakPolarHBondContact CD-O 3.02Å; K525-D544 PolarHBondContact NZ-O 2.85Å; K525-D545 VanDerWaalsContact CA-O 3.29Å; K525-D545 WeakPolarHBondContact CA-O 3.36Å |
| 526 | H | 98.4 | Very high | 95.6 | Very high | 38 Ų | 38 | 17.3 Ų | 17.3 | 18% | 0.176 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 146.3 | 179.7 | -57.1 | 73.1 | 0 | 0 | 0 | 113.1 | G521 A522 D524 Y528 R540 L541 | G521-H526 CarbonylContact C-O 3.58Å; A522-H526 WeakPolarHBondContact CB-O 3.35Å; A522-H526 PolarHBondContact N-O 2.75Å; A522-H526 VanDerWaalsContact N-O 3.14Å; D524-H526 PolarHBondContact O-CE1 3.24Å; D524-H526 PolarHBondContact O-ND1 3.04Å; D524-H526 WeakPolarHBondContact OD1-CB 3.37Å; D524-H526 IonicContact OD1-CG 3.43Å; D524-H526 PolarHBondContact OD1-N 2.9Å; D524-H526 VanDerWaalsContact OD1-N 3.16Å; D524-H526 IonicContact OD1-ND1 3.65Å; D524-H526 PolarHBondContact OD1-ND1 3.46Å; H526-Y528 HydrophobicContact CB-CD2 4.36Å; H526-Y528 HydrophobicContact CB-CE2 3.8Å; H526-R540 HydrophobicContact CB-CG 3.65Å; H526-R540 VanDerWaalsContact CD2-CG 3.44Å; H526-R540 WeakPolarHBondContact CD2-CG 3.42Å; H526-R540 PolarHBondContact CD2-NE 3.49Å; H526-R540 VanDerWaalsContact CE1-CZ 3.43Å; H526-R540 PolarHBondContact CE1-NH2 2.88Å; H526-R540 PolarHBondContact ND1-NE 3.1Å; H526-R540 PolarHBondContact ND1-NH2 3.42Å; H526-R540 PolarHBondContact NE2-NE 3.02Å; H526-L541 CarbonylContact C-O 3.55Å; H526-L541 WeakPolarHBondContact CA-O 3.36Å; H526-L541 WeakPolarHBondContact CB-O 3.38Å |
| 527 | G | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 156.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | S520 R540 L541 | S520-G527 CarbonylContact O-C 3.59Å; S520-G527 WeakPolarHBondContact O-CA 3.45Å; G527-R540 CarbonylContact O-C 3.59Å; G527-R540 WeakPolarHBondContact O-CA 3.44Å; G527-L541 PolarHBondContact N-O 3.35Å; G527-L541 PolarHBondContact O-N 3.21Å |
| 528 | Y | 98.5 | Very high | 95.8 | Very high | 17 Ų | 17 | 21.5 Ų | 21.5 | 7% | 0.067 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 146.6 | 178.6 | -70.3 | -96 | 0 | 0 | 0 | 110 | A496 H497 A519 S520 A522 D524 H526 W530 A539 R540 | A496-Y528 HydrophobicContact CB-CD1 3.7Å; A496-Y528 HydrophobicContact CB-CE1 3.85Å; A496-Y528 HydrophobicContact CB-CG 4.35Å; H497-Y528 HydrophobicContact CB-CD2 3.46Å; H497-Y528 VanDerWaalsContact CB-CD2 3.46Å; H497-Y528 HydrophobicContact CB-CE2 3.57Å; H497-Y528 HydrophobicContact CB-CG 4.2Å; A519-Y528 CarbonylContact C-O 3.58Å; A519-Y528 WeakPolarHBondContact CA-O 3.23Å; A519-Y528 WeakPolarHBondContact CB-O 3.13Å; S520-Y528 PolarHBondContact N-O 2.82Å; S520-Y528 PolarHBondContact O-N 3.3Å; A522-Y528 HydrophobicContact CB-CD2 4.28Å; A522-Y528 HydrophobicContact CB-CE2 3.94Å; D524-Y528 WeakPolarHBondContact OD1-CE2 3.24Å; D524-Y528 WeakPolarHBondContact OD2-CE2 3.33Å; D524-Y528 PolarHBondContact OD2-OH 2.69Å; H526-Y528 HydrophobicContact CB-CD2 4.36Å; H526-Y528 HydrophobicContact CB-CE2 3.8Å; Y528-W530 VanDerWaalsContact CB-CZ3 3.49Å; Y528-W530 HydrophobicContact CG-CH2 4.03Å; Y528-W530 HydrophobicContact CG-CZ2 4.23Å; Y528-W530 VanDerWaalsContact O-CZ3 3.32Å; Y528-W530 WeakPolarHBondContact O-CZ3 3.21Å; Y528-A539 WeakPolarHBondContact CA-O 3.31Å; Y528-R540 HydrophobicContact CD1-CB 4.27Å; Y528-R540 HydrophobicContact CD1-CG 4.16Å; Y528-R540 HydrophobicContact CE1-CB 4.14Å; Y528-R540 HydrophobicContact CE1-CG 3.68Å; Y528-R540 PolarHBondContact OH-NE 3.38Å |
| 529 | I | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 132.8 | 177.4 | -54.6 | 175 | 0 | 0 | 0 | 108.8 | I78 P79 F517 V518 A519 L538 A539 L541 F552 L560 | I78-I529 HydrophobicContact CG2-CB 4.45Å; I78-I529 HydrophobicContact CG2-CD1 3.85Å; I78-I529 HydrophobicContact CG2-CG2 4.22Å; P79-I529 HydrophobicContact CG-CD1 3.91Å; P79-I529 WeakPolarHBondContact O-CD1 3.17Å; F517-I529 HydrophobicContact CB-CG2 3.86Å; F517-I529 HydrophobicContact CD1-CG2 4.28Å; F517-I529 HydrophobicContact CG-CG2 4.16Å; V518-I529 CarbonylContact O-C 3.58Å; V518-I529 WeakPolarHBondContact O-CA 3.2Å; A519-I529 HydrophobicContact CB-CG1 4.17Å; I529-L538 PolarHBondContact O-N 2.8Å; I529-A539 HydrophobicContact CB-CB 4.29Å; I529-A539 HydrophobicContact CD1-CB 4.28Å; I529-A539 HydrophobicContact CG1-CB 4.47Å; I529-A539 PolarHBondContact N-O 2.99Å; I529-A539 VanDerWaalsContact N-O 3.1Å; I529-A539 PolarHBondContact O-N 2.85Å; I529-L541 HydrophobicContact CD1-CD1 4.05Å; I529-L541 HydrophobicContact CD1-CD2 4.25Å; I529-L541 HydrophobicContact CD1-CG 4.48Å; I529-L541 HydrophobicContact CG1-CD1 4.15Å; I529-F552 HydrophobicContact CG2-CZ 4.4Å; I529-L560 HydrophobicContact CD1-CD2 3.72Å; I529-L560 HydrophobicContact CG1-CD2 4.02Å |
| 530 | W | 97.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.008 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.8 | 174.3 | -59.4 | -103.8 | 0 | 0 | 0 | 111.7 | M479 L494 A496 H497 F517 V518 Y528 I536 | M479-W530 HydrophobicContact CE-CE3 4.27Å; M479-W530 HydrophobicContact CE-CH2 4.29Å; M479-W530 HydrophobicContact CE-CZ3 3.84Å; L494-W530 HydrophobicContact CB-CD2 4.48Å; L494-W530 HydrophobicContact CB-CG 4.3Å; L494-W530 HydrophobicContact CD1-CB 3.9Å; L494-W530 HydrophobicContact CD1-CD2 4.49Å; L494-W530 HydrophobicContact CD1-CG 4.03Å; L494-W530 HydrophobicContact CD2-CB 4.4Å; L494-W530 HydrophobicContact CD2-CG 4.37Å; L494-W530 HydrophobicContact CG-CG 4.48Å; A496-W530 HydrophobicContact CB-CZ2 3.61Å; H497-W530 HydrophobicContact CB-CH2 4.39Å; H497-W530 AromaticContact CE1-CH2 3.66Å; H497-W530 AromaticContact CG-CH2 3.91Å; H497-W530 AromaticContact ND1-CH2 3.21Å; H497-W530 WeakPolarHBondContact ND1-CH2 3.44Å; H497-W530 AromaticContact ND1-CZ2 3.44Å; H497-W530 WeakPolarHBondContact ND1-CZ2 3.39Å; F517-W530 VanDerWaalsContact CA-O 3.26Å; F517-W530 WeakPolarHBondContact CA-O 3.1Å; V518-W530 HydrophobicContact CG1-CB 3.9Å; V518-W530 HydrophobicContact CG1-CE3 4.4Å; V518-W530 PolarHBondContact N-O 3.07Å; V518-W530 PolarHBondContact O-N 2.73Å; Y528-W530 VanDerWaalsContact CB-CZ3 3.49Å; Y528-W530 HydrophobicContact CG-CH2 4.03Å; Y528-W530 HydrophobicContact CG-CZ2 4.23Å; Y528-W530 VanDerWaalsContact O-CZ3 3.32Å; Y528-W530 WeakPolarHBondContact O-CZ3 3.21Å; W530-I536 CarbonylContact C-O 3.51Å; W530-I536 WeakPolarHBondContact CA-O 3.12Å; W530-I536 WeakPolarHBondContact CB-O 3.15Å |
| 531 | D | 94.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 132.9 | 164.6 | -177 | -97.6 | 0 | 0 | 0 | 110.7 | R73 L74 H533 Y534 N535 I536 L538 | R73-D531 IonicContact CZ-OD2 3.64Å; R73-D531 IonicContact NH1-OD2 3.52Å; R73-D531 PolarHBondContact NH1-OD2 2.72Å; R73-D531 VanDerWaalsContact NH1-OD2 3.17Å; R73-D531 IonicContact NH2-OD2 3.96Å; R73-D531 PolarHBondContact NH2-OD2 3.07Å; L74-D531 HydrophobicContact CD2-CB 4.04Å; L74-D531 WeakPolarHBondContact CD2-OD2 3.13Å; D531-H533 PolarHBondContact O-N 2.91Å; D531-H533 WeakPolarHBondContact OD1-CA 3.35Å; D531-H533 WeakPolarHBondContact OD1-CB 3.28Å; D531-H533 PolarHBondContact OD1-N 2.99Å; D531-Y534 HydrophobicContact CB-CD2 4.39Å; D531-Y534 WeakPolarHBondContact OD1-CD2 3.35Å; D531-Y534 PolarHBondContact OD1-N 3.03Å; D531-N535 VanDerWaalsContact O-CA 3.28Å; D531-N535 WeakPolarHBondContact O-CA 3.39Å; D531-N535 PolarHBondContact O-N 3.3Å; D531-I536 HydrophobicContact CB-CG1 4.23Å; D531-I536 PolarHBondContact N-O 3Å; D531-L538 HydrophobicContact CB-CD1 3.98Å; D531-L538 HydrophobicContact CB-CG 4.33Å |
| 532 | R | 91.4 | Very high | 95.8 | Very high | 38 Ų | 38 | 31.1 Ų | 31.1 | 14% | 0.143 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -25.5 | -177.6 | -69 | 175.3 | 58 | -170 | -7.6 | 114.2 | Y452 S514 R515 D516 V518 | Y452-R532 PolarHBondContact OH-NE 2.78Å; S514-R532 VanDerWaalsContact O-CD 3.28Å; S514-R532 WeakPolarHBondContact O-CD 3.5Å; S514-R532 PolarHBondContact O-NH1 3.36Å; R515-R532 WeakPolarHBondContact O-CD 3.4Å; R515-R532 PolarHBondContact O-NH1 2.91Å; D516-R532 WeakPolarHBondContact O-CG 3.13Å; D516-R532 PolarHBondContact O-N 3.49Å; V518-R532 HydrophobicContact CB-CG 4.44Å; V518-R532 HydrophobicContact CG1-CG 4.47Å |
| 533 | H | 90.3 | Very high | 95.9 | Very high | 41 Ų | 41 | 31.6 Ų | 31.6 | 19% | 0.19 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -49.8 | -175.1 | 173.7 | 83.4 | 0 | 0 | 0 | 112.2 | P59 H61 D531 N535 | P59-H533 PolarHBondContact O-NE2 2.87Å; H61-H533 VanDerWaalsContact CD2-CB 3.45Å; H61-H533 WeakPolarHBondContact CD2-CB 3.29Å; H61-H533 AromaticContact CD2-CG 3.54Å; H61-H533 AromaticContact CD2-ND1 3.95Å; D531-H533 PolarHBondContact O-N 2.91Å; D531-H533 WeakPolarHBondContact OD1-CA 3.35Å; D531-H533 WeakPolarHBondContact OD1-CB 3.28Å; D531-H533 PolarHBondContact OD1-N 2.99Å; H533-N535 PolarHBondContact O-ND2 2.9Å |
| 534 | Y | 90.9 | Very high | 96 | Very high | 12 Ų | 12 | 36.1 Ų | 36.1 | 5% | 0.047 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.8 | 179.2 | -53.9 | -71.8 | 0 | 0 | 0 | 113.2 | F48 I54 V58 H61 E70 L74 D531 I536 | F48-Y534 HydrophobicContact CE1-CD1 4.15Å; F48-Y534 AromaticContact CE1-CE1 3.73Å; F48-Y534 HydrophobicContact CE1-CE1 3.73Å; F48-Y534 HydrophobicContact CE1-CE2 4.38Å; F48-Y534 AromaticContact CE1-CZ 3.89Å; F48-Y534 HydrophobicContact CE2-CE2 4.39Å; F48-Y534 HydrophobicContact CZ-CD1 4.2Å; F48-Y534 HydrophobicContact CZ-CD2 4.01Å; F48-Y534 AromaticContact CZ-CE1 3.74Å; F48-Y534 HydrophobicContact CZ-CE1 3.74Å; F48-Y534 AromaticContact CZ-CE2 3.55Å; F48-Y534 HydrophobicContact CZ-CE2 3.55Å; F48-Y534 HydrophobicContact CZ-CG 4.32Å; F48-Y534 AromaticContact CZ-CZ 3.4Å; F48-Y534 VanDerWaalsContact CZ-CZ 3.4Å; I54-Y534 HydrophobicContact CD1-CD1 3.71Å; I54-Y534 HydrophobicContact CD1-CD2 4.25Å; I54-Y534 HydrophobicContact CD1-CE1 4.46Å; I54-Y534 HydrophobicContact CD1-CG 3.6Å; I54-Y534 HydrophobicContact CG2-CD1 4.24Å; V58-Y534 HydrophobicContact CG1-CD1 3.8Å; V58-Y534 HydrophobicContact CG1-CE1 4.36Å; H61-Y534 WeakPolarHBondContact CB-OH 3.38Å; H61-Y534 PolarHBondContact N-OH 3.29Å; E70-Y534 VanDerWaalsContact CD-OH 3.25Å; E70-Y534 HydrophobicContact CG-CE2 4.38Å; E70-Y534 WeakPolarHBondContact CG-OH 3.46Å; E70-Y534 WeakPolarHBondContact OE1-CE2 3.48Å; E70-Y534 VanDerWaalsContact OE1-CZ 3.27Å; E70-Y534 PolarHBondContact OE1-OH 2.86Å; L74-Y534 HydrophobicContact CD1-CD2 3.73Å; L74-Y534 HydrophobicContact CD1-CE2 3.8Å; L74-Y534 HydrophobicContact CG-CE2 4.47Å; D531-Y534 HydrophobicContact CB-CD2 4.39Å; D531-Y534 WeakPolarHBondContact OD1-CD2 3.35Å; D531-Y534 PolarHBondContact OD1-N 3.03Å; Y534-I536 VanDerWaalsContact C-N 3.33Å; Y534-I536 PolarHBondContact O-N 3.15Å |
| 535 | N | 89.4 | Confident | 96 | Very high | 39 Ų | 39 | 37.8 Ų | 37.8 | 21% | 0.209 | 19% | 0.191 | C | C | . | . | trans | 59.3 | 42.7 | 177.4 | -64.2 | -81 | 0 | 0 | 0 | 112.8 | R492 L494 D531 H533 | R492-N535 WeakPolarHBondContact CD-ND2 3.34Å; R492-N535 PolarHBondContact NH1-ND2 3.01Å; L494-N535 VanDerWaalsContact CD2-CA 3.49Å; L494-N535 HydrophobicContact CD2-CB 3.52Å; D531-N535 VanDerWaalsContact O-CA 3.28Å; D531-N535 WeakPolarHBondContact O-CA 3.39Å; D531-N535 PolarHBondContact O-N 3.3Å; H533-N535 PolarHBondContact O-ND2 2.9Å | ||
| 536 | I | 92.3 | Very high | 96 | Very high | 30 Ų | 30 | 34.6 Ų | 34.6 | 15% | 0.154 | 18% | 0.179 | C | C | . | . | trans | -116.9 | 143.7 | -179.3 | 58.8 | 168.5 | 0 | 0 | 0 | 110.9 | Y52 I54 L74 W530 D531 Y534 L538 | Y52-I536 HydrophobicContact CD1-CD1 3.56Å; Y52-I536 HydrophobicContact CE1-CD1 4.47Å; Y52-I536 HydrophobicContact CG-CD1 3.87Å; I54-I536 HydrophobicContact CD1-CD1 3.86Å; I54-I536 HydrophobicContact CG1-CD1 4.19Å; I54-I536 HydrophobicContact CG1-CG2 3.9Å; L74-I536 HydrophobicContact CD1-CD1 4.43Å; W530-I536 CarbonylContact C-O 3.51Å; W530-I536 WeakPolarHBondContact CA-O 3.12Å; W530-I536 WeakPolarHBondContact CB-O 3.15Å; D531-I536 HydrophobicContact CB-CG1 4.23Å; D531-I536 PolarHBondContact N-O 3Å; Y534-I536 VanDerWaalsContact C-N 3.33Å; Y534-I536 PolarHBondContact O-N 3.15Å; I536-L538 HydrophobicContact CD1-CD2 3.63Å; I536-L538 HydrophobicContact CG1-CD2 3.82Å; I536-L538 HydrophobicContact CG1-CG 4.45Å; I536-L538 PolarHBondContact O-N 3.47Å | ||
| 537 | C | 95.6 | Very high | 96.1 | Very high | 61 Ų | 61 | 32.8 Ų | 32.8 | 41% | 0.412 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 122.3 | 171.3 | -171 | 0 | 0 | 0 | 0 | 109.1 | A496 | A496-C537 HydrophobicContact CB-CB 4.37Å |
| 538 | L | 96.5 | Very high | 96.1 | Very high | 35 Ų | 35 | 33.7 Ų | 33.7 | 18% | 0.183 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -36.4 | -175.6 | -67.7 | -177.5 | 0 | 0 | 0 | 113.1 | Y52 L74 I78 F517 I529 D531 I536 | Y52-L538 HydrophobicContact CD1-CD2 4.23Å; Y52-L538 HydrophobicContact CE1-CD2 4Å; L74-L538 HydrophobicContact CD2-CD1 3.96Å; L74-L538 HydrophobicContact CD2-CD2 4.42Å; I78-L538 HydrophobicContact CD1-CB 3.67Å; I78-L538 HydrophobicContact CD1-CD1 3.87Å; I78-L538 HydrophobicContact CD1-CD2 4.37Å; I78-L538 HydrophobicContact CD1-CG 4.2Å; I78-L538 HydrophobicContact CG1-CB 4.25Å; I78-L538 HydrophobicContact CG1-CD1 3.75Å; I78-L538 HydrophobicContact CG2-CB 4.45Å; F517-L538 HydrophobicContact CD1-CD1 3.79Å; F517-L538 HydrophobicContact CE1-CD1 3.54Å; I529-L538 PolarHBondContact O-N 2.8Å; D531-L538 HydrophobicContact CB-CD1 3.98Å; D531-L538 HydrophobicContact CB-CG 4.33Å; I536-L538 HydrophobicContact CD1-CD2 3.63Å; I536-L538 HydrophobicContact CG1-CD2 3.82Å; I536-L538 HydrophobicContact CG1-CG 4.45Å; I536-L538 PolarHBondContact O-N 3.47Å |
| 539 | A | 97.3 | Very high | 96.1 | Very high | 12 Ų | 12 | 32.9 Ų | 32.9 | 10% | 0.099 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 156 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I78 C80 Y528 I529 L541 | I78-A539 HydrophobicContact CG2-CB 3.96Å; C80-A539 HydrophobicContact CB-CB 3.76Å; Y528-A539 WeakPolarHBondContact CA-O 3.31Å; I529-A539 HydrophobicContact CB-CB 4.29Å; I529-A539 HydrophobicContact CD1-CB 4.28Å; I529-A539 HydrophobicContact CG1-CB 4.47Å; I529-A539 PolarHBondContact N-O 2.99Å; I529-A539 VanDerWaalsContact N-O 3.1Å; I529-A539 PolarHBondContact O-N 2.85Å; A539-L541 HydrophobicContact CB-CD2 4.32Å |
| 540 | R | 97.8 | Very high | 96.1 | Very high | 140 Ų | 140 | 33 Ų | 33 | 53% | 0.528 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 122.8 | 173.2 | -173.4 | -175.8 | -175.9 | -176 | 1.6 | 107.8 | H526 G527 Y528 | H526-R540 HydrophobicContact CB-CG 3.65Å; H526-R540 VanDerWaalsContact CD2-CG 3.44Å; H526-R540 WeakPolarHBondContact CD2-CG 3.42Å; H526-R540 PolarHBondContact CD2-NE 3.49Å; H526-R540 VanDerWaalsContact CE1-CZ 3.43Å; H526-R540 PolarHBondContact CE1-NH2 2.88Å; H526-R540 PolarHBondContact ND1-NE 3.1Å; H526-R540 PolarHBondContact ND1-NH2 3.42Å; H526-R540 PolarHBondContact NE2-NE 3.02Å; G527-R540 CarbonylContact O-C 3.59Å; G527-R540 WeakPolarHBondContact O-CA 3.44Å; Y528-R540 HydrophobicContact CD1-CB 4.27Å; Y528-R540 HydrophobicContact CD1-CG 4.16Å; Y528-R540 HydrophobicContact CE1-CB 4.14Å; Y528-R540 HydrophobicContact CE1-CG 3.68Å; Y528-R540 PolarHBondContact OH-NE 3.38Å |
| 541 | L | 98.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 109.6 | -168.8 | -50.9 | 179.5 | 0 | 0 | 0 | 109.1 | C80 H526 G527 I529 A539 L560 W572 | C80-L541 HydrophobicContact CB-CD2 4.17Å; H526-L541 CarbonylContact C-O 3.55Å; H526-L541 WeakPolarHBondContact CA-O 3.36Å; H526-L541 WeakPolarHBondContact CB-O 3.38Å; G527-L541 PolarHBondContact N-O 3.35Å; G527-L541 PolarHBondContact O-N 3.21Å; I529-L541 HydrophobicContact CD1-CD1 4.05Å; I529-L541 HydrophobicContact CD1-CD2 4.25Å; I529-L541 HydrophobicContact CD1-CG 4.48Å; I529-L541 HydrophobicContact CG1-CD1 4.15Å; A539-L541 HydrophobicContact CB-CD2 4.32Å; L541-L560 HydrophobicContact CD1-CD2 3.45Å; L541-L560 VanDerWaalsContact CD1-CD2 3.45Å; L541-W572 HydrophobicContact CB-CD2 4.36Å; L541-W572 HydrophobicContact CB-CH2 3.88Å; L541-W572 HydrophobicContact CB-CZ2 3.66Å; L541-W572 HydrophobicContact CB-CZ3 4.29Å; L541-W572 HydrophobicContact CD1-CD2 4.18Å; L541-W572 HydrophobicContact CD1-CG 4.22Å; L541-W572 HydrophobicContact CD2-CD2 3.99Å; L541-W572 HydrophobicContact CD2-CE3 3.81Å; L541-W572 HydrophobicContact CD2-CZ3 4.09Å; L541-W572 HydrophobicContact CG-CD2 4.4Å |
| 542 | A | 98.4 | Very high | 96.3 | Very high | 49 Ų | 49 | 33.3 Ų | 33.3 | 41% | 0.405 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 137.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | K570 | A542-K570 PolarHBondContact O-NZ 2.75Å |
| 543 | H | 98.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 31.7 Ų | 31.7 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | trans | -128.4 | 168 | 169.3 | -89.3 | -90.6 | 0 | 0 | 0 | 110.3 | K525 D545 V547 S562 S564 D566 K570 | K525-H543 PolarHBondContact O-N 2.79Å; H543-D545 VanDerWaalsContact C-N 3.34Å; H543-D545 WeakPolarHBondContact CB-O 3.27Å; H543-V547 HydrophobicContact CB-CG2 3.72Å; H543-V547 VanDerWaalsContact CD2-CG2 3.45Å; H543-V547 WeakPolarHBondContact CD2-CG2 3.02Å; H543-S562 PolarHBondContact NE2-OG 2.97Å; H543-S564 WeakPolarHBondContact ND1-CB 3.45Å; H543-D566 WeakPolarHBondContact CB-OD2 3.43Å; H543-D566 IonicContact CE1-OD2 3.49Å; H543-D566 IonicContact CG-OD2 3.07Å; H543-D566 IonicContact ND1-OD1 3.73Å; H543-D566 IonicContact ND1-OD2 2.72Å; H543-D566 PolarHBondContact ND1-OD2 3.14Å; H543-K570 VanDerWaalsContact CE1-CG 3.43Å; H543-K570 WeakPolarHBondContact CE1-CG 3.46Å | ||
| 544 | D | 98.4 | Very high | 96.7 | Very high | 118 Ų | 118 | 32 Ų | 32 | 63% | 0.631 | 18% | 0.176 | S | C | * | . | S | Bend | trans | -86.3 | -13.4 | 178.7 | -67.4 | -36.5 | 0 | 0 | 0 | 112.1 | K525 D566 | K525-D544 WeakPolarHBondContact CD-O 3.02Å; K525-D544 PolarHBondContact NZ-O 2.85Å; D544-D566 HydrophobicContact CB-CB 3.96Å; D544-D566 PolarHBondContact N-OD2 2.96Å |
| 545 | D | 98.3 | Very high | 96.7 | Very high | 60 Ų | 60 | 32.9 Ų | 32.9 | 32% | 0.321 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -148.2 | -173.9 | 175.6 | -142.1 | -21.2 | 0 | 0 | 0 | 112.6 | K525 H543 V547 S564 D565 D566 | K525-D545 VanDerWaalsContact CA-O 3.29Å; K525-D545 WeakPolarHBondContact CA-O 3.36Å; H543-D545 VanDerWaalsContact C-N 3.34Å; H543-D545 WeakPolarHBondContact CB-O 3.27Å; D545-V547 PolarHBondContact O-N 2.98Å; D545-S564 PolarHBondContact O-OG 3.02Å; D545-D565 HydrophobicContact CB-CB 3.83Å; D545-D566 HydrophobicContact CB-CB 3.99Å |
| 546 | V | 98 | Very high | 96.8 | Very high | 22 Ų | 22 | 32.9 Ų | 32.9 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | trans | -47.5 | 130.3 | -179.6 | 176.5 | 0 | 0 | 0 | 0 | 112.1 | E523 S564 D565 | E523-V546 HydrophobicContact CB-CG1 4.21Å; E523-V546 HydrophobicContact CB-CG2 3.93Å; E523-V546 HydrophobicContact CG-CG1 3.82Å; E523-V546 HydrophobicContact CG-CG2 4.17Å; V546-S564 CarbonylContact O-C 3.56Å; V546-S564 WeakPolarHBondContact O-CA 3.46Å; V546-S564 WeakPolarHBondContact O-CB 3.24Å; V546-S564 PolarHBondContact O-OG 3.4Å; V546-S564 VanDerWaalsContact O-OG 3.05Å; V546-D565 HydrophobicContact CB-CB 4.09Å; V546-D565 PolarHBondContact O-N 3.4Å | ||
| 547 | V | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 110.1 | 172.8 | -177.3 | 0 | 0 | 0 | 0 | 109 | G521 A522 H543 D545 V550 A563 | G521-V547 CarbonylContact C-O 3.47Å; G521-V547 VanDerWaalsContact CA-O 3.3Å; G521-V547 WeakPolarHBondContact CA-O 3.32Å; A522-V547 PolarHBondContact N-O 3.37Å; A522-V547 VanDerWaalsContact N-O 3.11Å; A522-V547 PolarHBondContact O-N 2.82Å; H543-V547 HydrophobicContact CB-CG2 3.72Å; H543-V547 VanDerWaalsContact CD2-CG2 3.45Å; H543-V547 WeakPolarHBondContact CD2-CG2 3.02Å; D545-V547 PolarHBondContact O-N 2.98Å; V547-V550 HydrophobicContact CG1-CG1 4.11Å; V547-A563 CarbonylContact C-O 3.25Å |
| 548 | N | 98.1 | Very high | 96.9 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 10% | 0.102 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -35.9 | -174.5 | -65 | -53.3 | 0 | 0 | 0 | 113.3 | V93 I509 F510 A563 D565 | V93-N548 PolarHBondContact O-ND2 3.29Å; I509-N548 WeakPolarHBondContact CA-O 3.44Å; F510-N548 PolarHBondContact N-O 2.47Å; N548-A563 PolarHBondContact N-O 2.91Å; N548-D565 PolarHBondContact ND2-OD1 3.48Å |
| 549 | S | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 142.5 | -170.6 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | L96 F510 S562 A563 | L96-S549 PolarHBondContact N-OG 2.77Å; L96-S549 VanDerWaalsContact N-OG 3.09Å; F510-S549 WeakPolarHBondContact O-CA 3.24Å; S549-S562 CarbonylContact O-C 3.59Å; S549-S562 WeakPolarHBondContact O-CA 3.21Å; S549-A563 PolarHBondContact N-O 3.34Å; S549-A563 PolarHBondContact O-N 3.42Å |
| 550 | V | 98.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 149.5 | 168.4 | -59.5 | 0 | 0 | 0 | 0 | 109.6 | F510 D512 A519 V547 L560 L561 | F510-V550 PolarHBondContact O-N 2.94Å; F510-V550 VanDerWaalsContact O-N 3.16Å; D512-V550 WeakPolarHBondContact CB-O 3.36Å; A519-V550 VanDerWaalsContact C-CG2 3.43Å; A519-V550 HydrophobicContact CB-CB 4.36Å; A519-V550 HydrophobicContact CB-CG2 3.7Å; A519-V550 VanDerWaalsContact O-CG2 3.32Å; A519-V550 WeakPolarHBondContact O-CG2 3.42Å; V547-V550 HydrophobicContact CG1-CG1 4.11Å; V550-L560 HydrophobicContact CB-CD1 4.29Å; V550-L561 CarbonylContact C-O 3.57Å; V550-L561 WeakPolarHBondContact CA-O 3.49Å |
| 551 | A | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 3% | 0.033 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 124.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | L96 F98 D512 L560 L561 | L96-A551 HydrophobicContact CB-CB 3.96Å; F98-A551 HydrophobicContact CD2-CB 3.81Å; F98-A551 HydrophobicContact CE2-CB 4.07Å; F98-A551 WeakPolarHBondContact CE2-O 3.2Å; D512-A551 WeakPolarHBondContact OD2-CA 3.29Å; A551-L560 CarbonylContact O-C 3.56Å; A551-L560 WeakPolarHBondContact O-CA 3.24Å; A551-L560 WeakPolarHBondContact O-CD1 3.14Å; A551-L561 PolarHBondContact N-O 3.26Å; A551-L561 PolarHBondContact O-N 3.48Å |
| 552 | F | 98.4 | Very high | 97 | Very high | 5 Ų | 5 | 22.5 Ų | 22.5 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 142.3 | 170 | -73.8 | -79.6 | 0 | 0 | 0 | 109.3 | P79 F98 D512 F517 A519 I529 P554 L560 | P79-F552 HydrophobicContact CG-CD1 4.43Å; P79-F552 HydrophobicContact CG-CE1 3.81Å; F98-F552 WeakPolarHBondContact CD2-O 3.36Å; D512-F552 HydrophobicContact CB-CD2 4.32Å; D512-F552 WeakPolarHBondContact O-CE2 3.26Å; D512-F552 PolarHBondContact OD2-N 3.2Å; F517-F552 HydrophobicContact CB-CE1 4.15Å; F517-F552 HydrophobicContact CB-CE2 4.41Å; F517-F552 HydrophobicContact CB-CZ 3.66Å; F517-F552 HydrophobicContact CD2-CE1 4.5Å; A519-F552 HydrophobicContact CB-CD2 4.49Å; A519-F552 HydrophobicContact CB-CE2 3.51Å; A519-F552 HydrophobicContact CB-CZ 3.7Å; I529-F552 HydrophobicContact CG2-CZ 4.4Å; F552-P554 WeakPolarHBondContact O-CD 3.19Å; F552-L560 HydrophobicContact CB-CD1 4.42Å; F552-L560 HydrophobicContact CD1-CB 4.11Å; F552-L560 HydrophobicContact CD1-CD1 3.6Å; F552-L560 HydrophobicContact CD1-CG 4.44Å; F552-L560 HydrophobicContact CD2-CD1 3.8Å; F552-L560 HydrophobicContact CE1-CB 4.2Å; F552-L560 HydrophobicContact CE1-CD1 3.7Å; F552-L560 HydrophobicContact CE1-CG 4.38Å; F552-L560 HydrophobicContact CE2-CD1 3.89Å; F552-L560 HydrophobicContact CG-CD1 3.66Å; F552-L560 HydrophobicContact CZ-CD1 3.84Å |
| 553 | S | 96.7 | Very high | 97 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | trans | -66.2 | 125.9 | 166.1 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | A555 D556 L559 | S553-A555 PolarHBondContact O-N 2.79Å; S553-A555 PolarHBondContact OG-N 2.82Å; S553-D556 WeakPolarHBondContact CB-O 3.4Å; S553-D556 CarbonylContact O-C 3.52Å; S553-D556 VanDerWaalsContact O-C 3.3Å; S553-D556 PolarHBondContact O-N 2.98Å; S553-D556 PolarHBondContact OG-N 3.04Å; S553-L559 PolarHBondContact N-O 3.37Å | ||
| 554 | P | 92.8 | Very high | 97 | Very high | 48 Ų | 48 | 19.7 Ų | 19.7 | 31% | 0.312 | 11% | 0.112 | S | C | . | . | S | Bend | trans | -59.9 | -44.1 | 173.7 | 20.9 | -28.3 | 0 | 0 | 0 | 108.6 | F98 S99 Y270 F552 D556 | F98-P554 VanDerWaalsContact CB-CD 3.48Å; F98-P554 HydrophobicContact CB-CG 4.18Å; S99-P554 WeakPolarHBondContact O-CG 3.39Å; Y270-P554 WeakPolarHBondContact CE1-O 3.23Å; Y270-P554 PolarHBondContact OH-O 2.77Å; F552-P554 WeakPolarHBondContact O-CD 3.19Å; P554-D556 VanDerWaalsContact C-N 3.26Å; P554-D556 PolarHBondContact O-N 2.68Å |
| 555 | A | 90.5 | Very high | 97 | Very high | 31 Ų | 31 | 15.7 Ų | 15.7 | 26% | 0.256 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -61.2 | -28.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | R101 Y270 S553 | R101-A555 WeakPolarHBondContact O-CB 3.47Å; Y270-A555 VanDerWaalsContact OH-CA 3.23Å; Y270-A555 WeakPolarHBondContact OH-CA 3.26Å; Y270-A555 PolarHBondContact OH-N 2.81Å; Y270-A555 VanDerWaalsContact OH-N 3.16Å; S553-A555 PolarHBondContact O-N 2.79Å; S553-A555 PolarHBondContact OG-N 2.82Å |
| 556 | D | 91.8 | Very high | 97 | Very high | 38 Ų | 38 | 14 Ų | 14 | 20% | 0.203 | 8% | 0.082 | C | C | . | . | trans | -148.9 | 101.8 | -174.8 | -178.2 | 8.8 | 0 | 0 | 0 | 111.1 | S553 P554 E558 L559 R573 | S553-D556 WeakPolarHBondContact CB-O 3.4Å; S553-D556 CarbonylContact O-C 3.52Å; S553-D556 VanDerWaalsContact O-C 3.3Å; S553-D556 PolarHBondContact O-N 2.98Å; S553-D556 PolarHBondContact OG-N 3.04Å; P554-D556 VanDerWaalsContact C-N 3.26Å; P554-D556 PolarHBondContact O-N 2.68Å; D556-E558 PolarHBondContact O-N 3.5Å; D556-E558 WeakPolarHBondContact OD1-CB 3.32Å; D556-E558 PolarHBondContact OD1-N 3.44Å; D556-L559 HydrophobicContact CB-CB 4.39Å; D556-L559 PolarHBondContact O-N 3.47Å; D556-R573 IonicContact OD2-CZ 3.7Å; D556-R573 IonicContact OD2-NH1 2.79Å; D556-R573 PolarHBondContact OD2-NH1 3.02Å | ||
| 557 | Q | 93.7 | Very high | 97.1 | Very high | 40 Ų | 40 | 14.7 Ų | 14.7 | 19% | 0.187 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -15.5 | 177.9 | 69.3 | 171 | -3.8 | 0 | 0 | 113.9 | D516 L559 | D516-Q557 PolarHBondContact OD2-NE2 3.13Å; D516-Q557 PolarHBondContact OD2-OE1 3.24Å; Q557-L559 PolarHBondContact O-N 2.9Å |
| 558 | E | 95.9 | Very high | 97.1 | Very high | 18 Ų | 18 | 14.9 Ų | 14.9 | 8% | 0.084 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 9.8 | 175.7 | -54.4 | -167.2 | -141.2 | 0 | 0 | 112.1 | C77 D556 R573 S574 M577 | C77-E558 WeakPolarHBondContact CA-OE2 3.41Å; C77-E558 HydrophobicContact CB-CG 4.15Å; C77-E558 PolarHBondContact SG-OE1 2.66Å; D556-E558 PolarHBondContact O-N 3.5Å; D556-E558 WeakPolarHBondContact OD1-CB 3.32Å; D556-E558 PolarHBondContact OD1-N 3.44Å; E558-R573 WeakPolarHBondContact O-CA 3.38Å; E558-S574 PolarHBondContact O-N 2.71Å; E558-S574 WeakPolarHBondContact OE2-CB 3.25Å; E558-S574 PolarHBondContact OE2-OG 3Å; E558-M577 HydrophobicContact CB-CG 3.82Å |
| 559 | L | 96.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 14 Ų | 14 | 2% | 0.021 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 120.1 | 168.2 | 171.2 | 59.7 | 0 | 0 | 0 | 110.2 | F98 S553 D556 Q557 L561 V571 W572 | F98-L559 HydrophobicContact CZ-CD2 4.33Å; F98-L559 HydrophobicContact CZ-CG 4.46Å; S553-L559 PolarHBondContact N-O 3.37Å; D556-L559 HydrophobicContact CB-CB 4.39Å; D556-L559 PolarHBondContact O-N 3.47Å; Q557-L559 PolarHBondContact O-N 2.9Å; L559-L561 HydrophobicContact CD1-CD2 4.4Å; L559-V571 HydrophobicContact CD1-CG1 3.6Å; L559-W572 WeakPolarHBondContact CA-O 3.47Å |
| 560 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 143.9 | 174.4 | 178.8 | 79.5 | 0 | 0 | 0 | 109.6 | P79 A519 I529 L541 V550 A551 F552 W572 | P79-L560 HydrophobicContact CB-CB 3.84Å; P79-L560 HydrophobicContact CG-CB 3.71Å; A519-L560 HydrophobicContact CB-CD1 4.06Å; A519-L560 HydrophobicContact CB-CD2 4.24Å; I529-L560 HydrophobicContact CD1-CD2 3.72Å; I529-L560 HydrophobicContact CG1-CD2 4.02Å; L541-L560 HydrophobicContact CD1-CD2 3.45Å; L541-L560 VanDerWaalsContact CD1-CD2 3.45Å; V550-L560 HydrophobicContact CB-CD1 4.29Å; A551-L560 CarbonylContact O-C 3.56Å; A551-L560 WeakPolarHBondContact O-CA 3.24Å; A551-L560 WeakPolarHBondContact O-CD1 3.14Å; F552-L560 HydrophobicContact CB-CD1 4.42Å; F552-L560 HydrophobicContact CD1-CB 4.11Å; F552-L560 HydrophobicContact CD1-CD1 3.6Å; F552-L560 HydrophobicContact CD1-CG 4.44Å; F552-L560 HydrophobicContact CD2-CD1 3.8Å; F552-L560 HydrophobicContact CE1-CB 4.2Å; F552-L560 HydrophobicContact CE1-CD1 3.7Å; F552-L560 HydrophobicContact CE1-CG 4.38Å; F552-L560 HydrophobicContact CE2-CD1 3.89Å; F552-L560 HydrophobicContact CG-CD1 3.66Å; F552-L560 HydrophobicContact CZ-CD1 3.84Å; L560-W572 HydrophobicContact CB-CB 4.28Å; L560-W572 PolarHBondContact N-O 3.47Å; L560-W572 PolarHBondContact O-N 2.89Å |
| 561 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 149.4 | 169.9 | -55.9 | 179.3 | 0 | 0 | 0 | 110.4 | L96 F98 F105 I126 V550 A551 L559 I569 K570 V571 | L96-L561 HydrophobicContact CD1-CB 3.71Å; F98-L561 HydrophobicContact CD2-CD1 4.41Å; F98-L561 HydrophobicContact CE1-CD1 4.35Å; F98-L561 HydrophobicContact CE2-CB 4.43Å; F98-L561 HydrophobicContact CE2-CD1 3.45Å; F98-L561 VanDerWaalsContact CE2-CD1 3.45Å; F98-L561 HydrophobicContact CE2-CG 3.69Å; F98-L561 HydrophobicContact CZ-CD1 3.41Å; F98-L561 VanDerWaalsContact CZ-CD1 3.41Å; F98-L561 HydrophobicContact CZ-CG 3.71Å; F105-L561 HydrophobicContact CB-CD1 4.25Å; F105-L561 HydrophobicContact CD1-CD1 3.5Å; F105-L561 VanDerWaalsContact CD1-CD1 3.5Å; F105-L561 HydrophobicContact CD2-CD1 3.55Å; F105-L561 HydrophobicContact CE1-CD1 3.56Å; F105-L561 HydrophobicContact CE2-CD1 3.63Å; F105-L561 HydrophobicContact CG-CD1 3.49Å; F105-L561 VanDerWaalsContact CG-CD1 3.49Å; F105-L561 HydrophobicContact CZ-CD1 3.64Å; I126-L561 HydrophobicContact CD1-CD2 3.86Å; V550-L561 CarbonylContact C-O 3.57Å; V550-L561 WeakPolarHBondContact CA-O 3.49Å; A551-L561 PolarHBondContact N-O 3.26Å; A551-L561 PolarHBondContact O-N 3.48Å; L559-L561 HydrophobicContact CD1-CD2 4.4Å; L561-I569 HydrophobicContact CB-CG2 4.41Å; L561-K570 WeakPolarHBondContact CA-O 3.39Å; L561-V571 HydrophobicContact CD2-CB 4.15Å; L561-V571 HydrophobicContact CD2-CG1 4Å; L561-V571 HydrophobicContact CD2-CG2 3.83Å |
| 562 | S | 98.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 138.8 | 168.8 | 56.7 | 0 | 0 | 0 | 0 | 111.2 | H543 S549 I569 K570 W572 | H543-S562 PolarHBondContact NE2-OG 2.97Å; S549-S562 CarbonylContact O-C 3.59Å; S549-S562 WeakPolarHBondContact O-CA 3.21Å; S562-I569 CarbonylContact O-C 3.55Å; S562-I569 WeakPolarHBondContact O-CA 3.33Å; S562-K570 PolarHBondContact N-O 3.37Å; S562-K570 PolarHBondContact O-N 2.79Å; S562-W572 PolarHBondContact OG-NE1 2.96Å |
| 563 | A | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | V93 L96 V547 N548 S549 I569 | V93-A563 HydrophobicContact CB-CB 3.79Å; V93-A563 HydrophobicContact CG1-CB 3.51Å; L96-A563 HydrophobicContact CD1-CB 3.56Å; L96-A563 HydrophobicContact CD2-CB 4.11Å; L96-A563 HydrophobicContact CG-CB 3.58Å; V547-A563 CarbonylContact C-O 3.25Å; N548-A563 PolarHBondContact N-O 2.91Å; S549-A563 PolarHBondContact N-O 3.34Å; S549-A563 PolarHBondContact O-N 3.42Å; A563-I569 HydrophobicContact CB-CG1 4.48Å |
| 564 | S | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 159.3 | -168.2 | 171 | 0 | 0 | 0 | 0 | 113.4 | V93 H543 D545 V546 D566 S567 T568 | V93-S564 PolarHBondContact N-O 2.7Å; H543-S564 WeakPolarHBondContact ND1-CB 3.45Å; D545-S564 PolarHBondContact O-OG 3.02Å; V546-S564 CarbonylContact O-C 3.56Å; V546-S564 WeakPolarHBondContact O-CA 3.46Å; V546-S564 WeakPolarHBondContact O-CB 3.24Å; V546-S564 PolarHBondContact O-OG 3.4Å; V546-S564 VanDerWaalsContact O-OG 3.05Å; S564-D566 VanDerWaalsContact CB-CG 3.47Å; S564-D566 VanDerWaalsContact CB-OD1 3.23Å; S564-D566 WeakPolarHBondContact CB-OD1 3.34Å; S564-D566 WeakPolarHBondContact CB-OD2 3.33Å; S564-D566 PolarHBondContact O-N 3.1Å; S564-D566 PolarHBondContact OG-N 3.09Å; S564-D566 VanDerWaalsContact OG-N 3.09Å; S564-D566 PolarHBondContact OG-OD1 3.48Å; S564-D566 PolarHBondContact OG-OD2 3.47Å; S564-S567 PolarHBondContact O-N 3.23Å; S564-T568 PolarHBondContact N-O 3.46Å |
| 565 | D | 98.5 | Very high | 97.3 | Very high | 33 Ų | 33 | 16.3 Ų | 16.3 | 18% | 0.176 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -16.4 | 168.7 | -86.5 | 10.8 | 0 | 0 | 0 | 112.7 | Q92 D545 V546 N548 S567 | Q92-D565 HydrophobicContact CB-CB 4.48Å; Q92-D565 WeakPolarHBondContact CB-OD1 3.43Å; Q92-D565 VanDerWaalsContact CD-OD2 3.28Å; Q92-D565 HydrophobicContact CG-CB 3.95Å; Q92-D565 WeakPolarHBondContact CG-OD1 3.28Å; Q92-D565 VanDerWaalsContact NE2-CG 3.26Å; Q92-D565 PolarHBondContact NE2-OD2 2.84Å; Q92-D565 PolarHBondContact OE1-OD1 3.4Å; D545-D565 HydrophobicContact CB-CB 3.83Å; V546-D565 HydrophobicContact CB-CB 4.09Å; V546-D565 PolarHBondContact O-N 3.4Å; N548-D565 PolarHBondContact ND2-OD1 3.48Å; D565-S567 PolarHBondContact O-N 3.12Å |
| 566 | D | 98.5 | Very high | 97.4 | Very high | 26 Ų | 26 | 20 Ų | 20 | 14% | 0.139 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | 12.3 | 172.6 | 66.3 | 27.1 | 0 | 0 | 0 | 114.4 | H543 D544 D545 S564 T568 | H543-D566 WeakPolarHBondContact CB-OD2 3.43Å; H543-D566 IonicContact CE1-OD2 3.49Å; H543-D566 IonicContact CG-OD2 3.07Å; H543-D566 IonicContact ND1-OD1 3.73Å; H543-D566 IonicContact ND1-OD2 2.72Å; H543-D566 PolarHBondContact ND1-OD2 3.14Å; D544-D566 HydrophobicContact CB-CB 3.96Å; D544-D566 PolarHBondContact N-OD2 2.96Å; D545-D566 HydrophobicContact CB-CB 3.99Å; S564-D566 VanDerWaalsContact CB-CG 3.47Å; S564-D566 VanDerWaalsContact CB-OD1 3.23Å; S564-D566 WeakPolarHBondContact CB-OD1 3.34Å; S564-D566 WeakPolarHBondContact CB-OD2 3.33Å; S564-D566 PolarHBondContact O-N 3.1Å; S564-D566 PolarHBondContact OG-N 3.09Å; S564-D566 VanDerWaalsContact OG-N 3.09Å; S564-D566 PolarHBondContact OG-OD1 3.48Å; S564-D566 PolarHBondContact OG-OD2 3.47Å; D566-T568 WeakPolarHBondContact O-CG2 3.4Å; D566-T568 PolarHBondContact O-N 3.1Å; D566-T568 WeakPolarHBondContact OD1-CA 3.39Å; D566-T568 VanDerWaalsContact OD1-CB 3.27Å; D566-T568 WeakPolarHBondContact OD1-CB 3.5Å; D566-T568 PolarHBondContact OD1-N 3.44Å; D566-T568 PolarHBondContact OD1-OG1 3.29Å |
| 567 | S | 98.6 | Very high | 97.5 | Very high | 36 Ų | 36 | 20.8 Ų | 20.8 | 25% | 0.252 | 10% | 0.099 | S | C | . | . | S | Bend | trans | 60.8 | 15.6 | -177.3 | 84.9 | 0 | 0 | 0 | 0 | 115 | D91 S564 D565 | D91-S567 WeakPolarHBondContact O-CA 3.3Å; D91-S567 WeakPolarHBondContact O-CB 3.49Å; S564-S567 PolarHBondContact O-N 3.23Å; D565-S567 PolarHBondContact O-N 3.12Å |
| 568 | T | 98.8 | Very high | 97.5 | Very high | 4 Ų | 4 | 19.9 Ų | 19.9 | 3% | 0.025 | 10% | 0.096 | C | C | . | . | trans | -113.8 | 157.6 | 179.8 | 76.4 | 0 | 0 | 0 | 0 | 113.6 | T85 L86 R87 S564 D566 | T85-T568 HydrophobicContact CG2-CG2 3.97Å; L86-T568 WeakPolarHBondContact O-CA 3.45Å; R87-T568 HydrophobicContact CG-CG2 4.15Å; S564-T568 PolarHBondContact N-O 3.46Å; D566-T568 WeakPolarHBondContact O-CG2 3.4Å; D566-T568 PolarHBondContact O-N 3.1Å; D566-T568 WeakPolarHBondContact OD1-CA 3.39Å; D566-T568 VanDerWaalsContact OD1-CB 3.27Å; D566-T568 WeakPolarHBondContact OD1-CB 3.5Å; D566-T568 PolarHBondContact OD1-N 3.44Å; D566-T568 PolarHBondContact OD1-OG1 3.29Å | ||
| 569 | I | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 125.7 | 163.6 | -56.9 | 164 | 0 | 0 | 0 | 107.3 | L86 V93 L96 F105 W117 L561 S562 A563 | L86-I569 HydrophobicContact CB-CB 4.15Å; L86-I569 HydrophobicContact CD1-CB 4.12Å; L86-I569 HydrophobicContact CD1-CG2 4.1Å; L86-I569 HydrophobicContact CG-CB 4.45Å; L86-I569 PolarHBondContact N-O 2.97Å; L86-I569 PolarHBondContact O-N 3.47Å; V93-I569 HydrophobicContact CB-CG1 4.48Å; V93-I569 HydrophobicContact CG1-CD1 4.18Å; V93-I569 HydrophobicContact CG1-CG1 3.94Å; V93-I569 HydrophobicContact CG2-CG1 4.27Å; L96-I569 HydrophobicContact CD1-CG2 4.18Å; L96-I569 HydrophobicContact CD2-CD1 3.79Å; L96-I569 HydrophobicContact CD2-CG1 4.08Å; L96-I569 HydrophobicContact CD2-CG2 4.16Å; F105-I569 HydrophobicContact CE2-CD1 4.3Å; W117-I569 HydrophobicContact CZ2-CD1 3.87Å; L561-I569 HydrophobicContact CB-CG2 4.41Å; S562-I569 CarbonylContact O-C 3.55Å; S562-I569 WeakPolarHBondContact O-CA 3.33Å; A563-I569 HydrophobicContact CB-CG1 4.48Å |
| 570 | K | 98.8 | Very high | 97 | Very high | 23 Ų | 23 | 29.5 Ų | 29.5 | 10% | 0.1 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 141.1 | 175.1 | -71.9 | -173.8 | 174.2 | -158.4 | 0 | 111.2 | E82 A542 H543 L561 S562 W572 | E82-K570 HydrophobicContact CG-CD 4.41Å; E82-K570 WeakPolarHBondContact OE2-CD 3.24Å; E82-K570 VanDerWaalsContact OE2-CE 3.29Å; E82-K570 WeakPolarHBondContact OE2-CE 3.41Å; E82-K570 IonicContact OE2-NZ 3.2Å; E82-K570 PolarHBondContact OE2-NZ 3.2Å; A542-K570 PolarHBondContact O-NZ 2.75Å; H543-K570 VanDerWaalsContact CE1-CG 3.43Å; H543-K570 WeakPolarHBondContact CE1-CG 3.46Å; L561-K570 WeakPolarHBondContact CA-O 3.39Å; S562-K570 PolarHBondContact N-O 3.37Å; S562-K570 PolarHBondContact O-N 2.79Å; K570-W572 HydrophobicContact CB-CZ2 3.7Å; K570-W572 HydrophobicContact CD-CH2 3.99Å; K570-W572 HydrophobicContact CD-CZ2 3.5Å; K570-W572 HydrophobicContact CG-CZ2 4.26Å |
| 571 | V | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.018 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.7 | -179.8 | -173 | 0 | 0 | 0 | 0 | 108.6 | E82 V83 Q84 L86 I126 L559 L561 | E82-V571 WeakPolarHBondContact CA-O 3.39Å; V83-V571 HydrophobicContact CG2-CB 4.08Å; V83-V571 HydrophobicContact CG2-CG1 3.76Å; V83-V571 WeakPolarHBondContact CG2-O 3.16Å; V83-V571 PolarHBondContact N-O 3Å; Q84-V571 HydrophobicContact CB-CB 3.94Å; Q84-V571 HydrophobicContact CB-CG2 3.88Å; Q84-V571 HydrophobicContact CG-CG2 4.46Å; Q84-V571 PolarHBondContact O-N 2.98Å; L86-V571 HydrophobicContact CD1-CG2 4.25Å; L86-V571 HydrophobicContact CG-CG2 4.25Å; I126-V571 HydrophobicContact CD1-CB 4.41Å; I126-V571 HydrophobicContact CD1-CG1 3.66Å; I126-V571 HydrophobicContact CD1-CG2 3.8Å; L559-V571 HydrophobicContact CD1-CG1 3.6Å; L561-V571 HydrophobicContact CD2-CB 4.15Å; L561-V571 HydrophobicContact CD2-CG1 4Å; L561-V571 HydrophobicContact CD2-CG2 3.83Å |
| 572 | W | 98.5 | Very high | 95.8 | Very high | 12 Ų | 12 | 41.1 Ų | 41.1 | 5% | 0.045 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 128.7 | -176 | -50 | 90 | 0 | 0 | 0 | 110.4 | P79 V81 E82 L541 L559 L560 S562 K570 | P79-W572 HydrophobicContact CB-CB 4.24Å; P79-W572 WeakPolarHBondContact O-CB 3.07Å; V81-W572 WeakPolarHBondContact O-CA 3.49Å; E82-W572 HydrophobicContact CB-CE3 3.9Å; E82-W572 HydrophobicContact CB-CH2 4.15Å; E82-W572 HydrophobicContact CB-CZ3 3.64Å; E82-W572 HydrophobicContact CG-CH2 4.5Å; E82-W572 HydrophobicContact CG-CZ3 4.41Å; L541-W572 HydrophobicContact CB-CD2 4.36Å; L541-W572 HydrophobicContact CB-CH2 3.88Å; L541-W572 HydrophobicContact CB-CZ2 3.66Å; L541-W572 HydrophobicContact CB-CZ3 4.29Å; L541-W572 HydrophobicContact CD1-CD2 4.18Å; L541-W572 HydrophobicContact CD1-CG 4.22Å; L541-W572 HydrophobicContact CD2-CD2 3.99Å; L541-W572 HydrophobicContact CD2-CE3 3.81Å; L541-W572 HydrophobicContact CD2-CZ3 4.09Å; L541-W572 HydrophobicContact CG-CD2 4.4Å; L559-W572 WeakPolarHBondContact CA-O 3.47Å; L560-W572 HydrophobicContact CB-CB 4.28Å; L560-W572 PolarHBondContact N-O 3.47Å; L560-W572 PolarHBondContact O-N 2.89Å; S562-W572 PolarHBondContact OG-NE1 2.96Å; K570-W572 HydrophobicContact CB-CZ2 3.7Å; K570-W572 HydrophobicContact CD-CH2 3.99Å; K570-W572 HydrophobicContact CD-CZ2 3.5Å; K570-W572 HydrophobicContact CG-CZ2 4.26Å |
| 573 | R | 97.4 | Very high | 94.9 | Very high | 48 Ų | 48 | 44 Ų | 44 | 18% | 0.181 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 159.9 | 172.5 | -69 | -68.3 | -165.3 | 152.9 | -0.6 | 110.4 | C80 V81 V83 D556 E558 M577 V578 | C80-R573 PolarHBondContact N-O 2.73Å; V81-R573 WeakPolarHBondContact CB-O 3.33Å; V81-R573 PolarHBondContact N-O 3.03Å; V81-R573 PolarHBondContact O-N 3.44Å; V83-R573 HydrophobicContact CB-CG 4.38Å; V83-R573 HydrophobicContact CG1-CB 3.76Å; V83-R573 HydrophobicContact CG1-CG 3.88Å; V83-R573 HydrophobicContact CG2-CB 4.3Å; V83-R573 HydrophobicContact CG2-CG 3.6Å; D556-R573 IonicContact OD2-CZ 3.7Å; D556-R573 IonicContact OD2-NH1 2.79Å; D556-R573 PolarHBondContact OD2-NH1 3.02Å; E558-R573 WeakPolarHBondContact O-CA 3.38Å; R573-M577 HydrophobicContact CB-CB 4.36Å; R573-V578 HydrophobicContact CB-CG2 4Å |
| 574 | S | 97.1 | Very high | 93 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.261 | C | S | . | . | trans | -74.6 | 153.8 | 175.2 | 79.9 | 0 | 0 | 0 | 0 | 112.9 | D76 I78 E558 R576 M577 V578 | D76-S574 VanDerWaalsContact O-CB 3.24Å; D76-S574 WeakPolarHBondContact O-CB 3.32Å; D76-S574 PolarHBondContact O-OG 3.2Å; I78-S574 WeakPolarHBondContact O-CA 3.49Å; I78-S574 WeakPolarHBondContact O-CB 3.47Å; E558-S574 PolarHBondContact O-N 2.71Å; E558-S574 WeakPolarHBondContact OE2-CB 3.25Å; E558-S574 PolarHBondContact OE2-OG 3Å; S574-R576 PolarHBondContact O-N 2.87Å; S574-R576 VanDerWaalsContact O-N 3.15Å; S574-R576 PolarHBondContact OG-N 2.93Å; S574-M577 PolarHBondContact O-N 3.09Å; S574-M577 WeakPolarHBondContact OG-CG 3.26Å; S574-M577 PolarHBondContact OG-N 3.22Å; S574-V578 WeakPolarHBondContact O-CG2 3.37Å; S574-V578 PolarHBondContact O-N 3.01Å | ||
| 575 | P | 96.4 | Very high | 91 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 16% | 0.162 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.3 | -34.7 | 171.1 | -27.6 | 34.2 | 0 | 0 | 0 | 113.1 | D76 I78 V81 R579 | D76-P575 WeakPolarHBondContact O-CD 3.38Å; I78-P575 VanDerWaalsContact O-CD 3.22Å; I78-P575 WeakPolarHBondContact O-CD 3.24Å; V81-P575 HydrophobicContact CG2-CG 3.96Å; P575-R579 WeakPolarHBondContact O-CG 3.09Å; P575-R579 PolarHBondContact O-N 3.14Å; P575-R579 VanDerWaalsContact O-N 3.14Å; P575-R579 PolarHBondContact O-NH1 3.45Å |
| 576 | R | 94.6 | Very high | 88.6 | Confident | 109 Ų | 109 | 64.2 Ų | 64.2 | 41% | 0.411 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.5 | -51.9 | 173.8 | 173.5 | -177.2 | 172 | 169.4 | -6.4 | 111.7 | D76 S574 V578 R579 L580 | D76-R576 HydrophobicContact CB-CB 4.16Å; D76-R576 WeakPolarHBondContact O-CB 3.49Å; D76-R576 PolarHBondContact O-N 3.5Å; S574-R576 PolarHBondContact O-N 2.87Å; S574-R576 VanDerWaalsContact O-N 3.15Å; S574-R576 PolarHBondContact OG-N 2.93Å; R576-V578 VanDerWaalsContact C-N 3.32Å; R576-V578 PolarHBondContact O-N 3.04Å; R576-R579 PolarHBondContact O-N 3.47Å; R576-L580 HydrophobicContact CG-CD1 4.02Å; R576-L580 WeakPolarHBondContact O-CG 3.48Å; R576-L580 PolarHBondContact O-N 3.34Å |
| 577 | M | 93.2 | Very high | 86.1 | Confident | 54 Ų | 54 | 71.6 Ų | 71.6 | 27% | 0.266 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.3 | -39.3 | -176.4 | -70.3 | -58 | -70.5 | 0 | 0 | 111.5 | E558 R573 S574 R579 L580 S581 | E558-M577 HydrophobicContact CB-CG 3.82Å; R573-M577 HydrophobicContact CB-CB 4.36Å; S574-M577 PolarHBondContact O-N 3.09Å; S574-M577 WeakPolarHBondContact OG-CG 3.26Å; S574-M577 PolarHBondContact OG-N 3.22Å; M577-R579 PolarHBondContact O-N 2.88Å; M577-L580 PolarHBondContact O-N 3.14Å; M577-L580 HydrophobicContact SD-CD1 4.17Å; M577-S581 PolarHBondContact O-N 3.34Å; M577-S581 PolarHBondContact O-OG 2.9Å |
| 578 | V | 93.6 | Very high | 83.3 | Confident | 22 Ų | 22 | 77.7 Ų | 77.7 | 13% | 0.133 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -61.9 | -42.3 | 174.4 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | V81 V83 R573 S574 R576 L580 S581 Q582 | V81-V578 HydrophobicContact CB-CG2 4Å; V81-V578 HydrophobicContact CG1-CG2 3.93Å; V83-V578 HydrophobicContact CG1-CG2 3.72Å; R573-V578 HydrophobicContact CB-CG2 4Å; S574-V578 WeakPolarHBondContact O-CG2 3.37Å; S574-V578 PolarHBondContact O-N 3.01Å; R576-V578 VanDerWaalsContact C-N 3.32Å; R576-V578 PolarHBondContact O-N 3.04Å; V578-L580 VanDerWaalsContact C-N 3.32Å; V578-L580 PolarHBondContact O-N 3.23Å; V578-S581 PolarHBondContact O-N 3.09Å; V578-S581 PolarHBondContact O-OG 3.43Å; V578-Q582 WeakPolarHBondContact O-CB 3.41Å; V578-Q582 VanDerWaalsContact O-CG 3.3Å; V578-Q582 WeakPolarHBondContact O-CG 3.48Å; V578-Q582 PolarHBondContact O-N 3.06Å; V578-Q582 VanDerWaalsContact O-N 3.12Å |
| 579 | R | 93 | Very high | 80.7 | Confident | 120 Ų | 120 | 88.4 Ų | 88.4 | 45% | 0.453 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.8 | -34.4 | 175.6 | -73 | -175.7 | -57.4 | -100.4 | 6 | 112.7 | D76 P575 R576 M577 A583 | D76-R579 IonicContact OD1-CZ 3.52Å; D76-R579 IonicContact OD1-NH1 2.63Å; D76-R579 PolarHBondContact OD1-NH1 3.16Å; D76-R579 IonicContact OD1-NH2 2.93Å; D76-R579 PolarHBondContact OD1-NH2 3.43Å; D76-R579 IonicContact OD2-NH2 2.98Å; D76-R579 PolarHBondContact OD2-NH2 3.39Å; D76-R579 VanDerWaalsContact OD2-NH2 3.07Å; P575-R579 WeakPolarHBondContact O-CG 3.09Å; P575-R579 PolarHBondContact O-N 3.14Å; P575-R579 VanDerWaalsContact O-N 3.14Å; P575-R579 PolarHBondContact O-NH1 3.45Å; R576-R579 PolarHBondContact O-N 3.47Å; M577-R579 PolarHBondContact O-N 2.88Å; R579-A583 WeakPolarHBondContact O-CB 3.32Å; R579-A583 PolarHBondContact O-N 2.9Å; R579-A583 VanDerWaalsContact O-N 3.09Å |
| 580 | L | 89.5 | Confident | 78.1 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 55% | 0.545 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.1 | -38 | 178 | -71.9 | 173.9 | 0 | 0 | 0 | 111.9 | R576 M577 V578 | R576-L580 HydrophobicContact CG-CD1 4.02Å; R576-L580 WeakPolarHBondContact O-CG 3.48Å; R576-L580 PolarHBondContact O-N 3.34Å; M577-L580 PolarHBondContact O-N 3.14Å; M577-L580 HydrophobicContact SD-CD1 4.17Å; V578-L580 VanDerWaalsContact C-N 3.32Å; V578-L580 PolarHBondContact O-N 3.23Å |
| 581 | S | 85.6 | Confident | 75.6 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.5 | -32.6 | 176.5 | 63.9 | 0 | 0 | 0 | 0 | 112.9 | M577 V578 | M577-S581 PolarHBondContact O-N 3.34Å; M577-S581 PolarHBondContact O-OG 2.9Å; V578-S581 PolarHBondContact O-N 3.09Å; V578-S581 PolarHBondContact O-OG 3.43Å |
| 582 | Q | 86 | Confident | 73.3 | Confident | 147 Ų | 147 | 108.6 Ų | 108.6 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -80.5 | -18.2 | 176.7 | -68.8 | 175.1 | 0.4 | 0 | 0 | 113.8 | V578 S584 | V578-Q582 WeakPolarHBondContact O-CB 3.41Å; V578-Q582 VanDerWaalsContact O-CG 3.3Å; V578-Q582 WeakPolarHBondContact O-CG 3.48Å; V578-Q582 PolarHBondContact O-N 3.06Å; V578-Q582 VanDerWaalsContact O-N 3.12Å; Q582-S584 PolarHBondContact O-N 2.87Å; Q582-S584 VanDerWaalsContact O-N 3.14Å |
| 583 | A | 78.9 | Confident | 71 | Confident | 61 Ų | 61 | 116.1 Ų | 116.1 | 50% | 0.504 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -68.8 | 112.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | R579 | R579-A583 WeakPolarHBondContact O-CB 3.32Å; R579-A583 PolarHBondContact O-N 2.9Å; R579-A583 VanDerWaalsContact O-N 3.09Å |
| 584 | S | 58.8 | Low | 68.8 | Low | 100 Ų | 100 | 119.6 Ų | 119.6 | 70% | 0.699 | 60% | 0.602 | S | S | * | * | trans | -55.8 | 137.4 | 172.8 | 32.1 | 0 | 0 | 0 | 0 | 109.7 | Q582 R586 | Q582-S584 PolarHBondContact O-N 2.87Å; Q582-S584 VanDerWaalsContact O-N 3.14Å; S584-R586 PolarHBondContact O-N 3.06Å | ||
| 585 | P | 58.6 | Low | 66.3 | Low | 121 Ų | 121 | 122.9 Ų | 122.9 | 79% | 0.786 | 62% | 0.624 | S | S | * | * | trans | -55.2 | 115.6 | 175.4 | 16.1 | -24.4 | 0 | 0 | 0 | 106.8 | Q587 | P585-Q587 PolarHBondContact O-N 2.84Š| ||
| 586 | R | 47.4 | Very low | 63.9 | Low | 236 Ų | 236 | 127.2 Ų | 127.2 | 89% | 0.891 | 65% | 0.654 | S | S | * | * | trans | -55.3 | 110.2 | 174.4 | -81.1 | -176.6 | 167.5 | 176.9 | -2.6 | 105.6 | S584 L588 | S584-R586 PolarHBondContact O-N 3.06Å; R586-L588 PolarHBondContact O-N 3.23Å | ||
| 587 | Q | 45 | Very low | 62 | Low | 181 Ų | 181 | 131.1 Ų | 131.1 | 85% | 0.846 | 67% | 0.669 | S | S | * | * | trans | -51.4 | 112.8 | 164.4 | -79.6 | -172.3 | -13 | 0 | 0 | 105.4 | P585 R589 | P585-Q587 PolarHBondContact O-N 2.84Å; Q587-R589 PolarHBondContact O-N 2.76Å | ||
| 588 | L | 40.9 | Very low | 59.8 | Low | 164 Ų | 164 | 134.4 Ų | 134.4 | 86% | 0.859 | 69% | 0.688 | S | S | * | * | trans | -57.5 | 98.2 | 169.3 | -75.9 | 163.2 | 0 | 0 | 0 | 104.7 | R586 P590 | R586-L588 PolarHBondContact O-N 3.23Å; L588-P590 VanDerWaalsContact O-CD 3.3Å; L588-P590 WeakPolarHBondContact O-CD 3.3Å | ||
| 589 | R | 43.9 | Very low | 57.4 | Low | 228 Ų | 228 | 140.7 Ų | 140.7 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -55.7 | 119.9 | 165.2 | -75.7 | -172 | 178.5 | -172.2 | -0.3 | 104.2 | Q587 R591 | Q587-R589 PolarHBondContact O-N 2.76Å; R589-R591 PolarHBondContact O-N 2.93Å | ||
| 590 | P | 43.3 | Very low | 54.9 | Low | 121 Ų | 121 | 145.7 Ų | 145.7 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | trans | -52.6 | 119.4 | 177.2 | 18.4 | -28.4 | 0 | 0 | 0 | 106.2 | L588 S592 | L588-P590 VanDerWaalsContact O-CD 3.3Å; L588-P590 WeakPolarHBondContact O-CD 3.3Å; P590-S592 PolarHBondContact O-N 2.94Å | ||
| 591 | R | 47.8 | Very low | 52.5 | Low | 233 Ų | 233 | 149 Ų | 149 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -57.6 | 108 | 172 | -80.4 | 178.6 | 139.8 | 177.1 | -5.3 | 105 | R589 L593 | R589-R591 PolarHBondContact O-N 2.93Å; R591-L593 PolarHBondContact O-N 3.07Å | ||
| 592 | S | 49.4 | Very low | 50.2 | Low | 97 Ų | 97 | 153.6 Ų | 153.6 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -58.2 | 113 | 169.6 | 59.1 | 0 | 0 | 0 | 0 | 106.3 | P590 L594 | P590-S592 PolarHBondContact O-N 2.94Å; S592-L594 PolarHBondContact O-N 2.87Å | ||
| 593 | L | 50.5 | Low | 48 | Very low | 170 Ų | 170 | 154.6 Ų | 154.6 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -69.2 | 13.3 | 176.7 | -71.2 | 169.9 | 0 | 0 | 0 | 112.8 | R591 | R591-L593 PolarHBondContact O-N 3.07Š|
| 594 | L | 50.7 | Low | 45.7 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -97.7 | 118.4 | 173.4 | -66.5 | 173.9 | 0 | 0 | 0 | 108.4 | S592 | S592-L594 PolarHBondContact O-N 2.87Š|
| 595 | P | 44.5 | Very low | 44.5 | Very low | 68 Ų | 68 | 158.4 Ų | 158.4 | 44% | 0.442 | 79% | 0.786 | S | S | . | * | trans | -70.9 | 146.9 | 175.6 | 2.5 | 13.6 | 0 | 0 | 0 | 109.1 | W597 L598 | P595-W597 VanDerWaalsContact C-CD1 3.48Å; P595-W597 VanDerWaalsContact CB-CD1 3.42Å; P595-W597 HydrophobicContact CB-CG 4.4Å; P595-W597 VanDerWaalsContact O-CD1 3.26Å; P595-W597 PolarHBondContact O-N 3.41Å; P595-W597 VanDerWaalsContact O-N 3.07Å; P595-L598 PolarHBondContact O-N 2.98Å | ||
| 596 | S | 47.8 | Very low | 43.1 | Very low | 116 Ų | 116 | 162.2 Ų | 162.2 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.8 | -3.8 | -170.2 | 45.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 597 | W | 54.1 | Low | 43 | Very low | 191 Ų | 191 | 156.7 Ų | 156.7 | 72% | 0.723 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -20.6 | 174 | 59.6 | -11.6 | 0 | 0 | 0 | 115.6 | P595 | P595-W597 VanDerWaalsContact C-CD1 3.48Å; P595-W597 VanDerWaalsContact CB-CD1 3.42Å; P595-W597 HydrophobicContact CB-CG 4.4Å; P595-W597 VanDerWaalsContact O-CD1 3.26Å; P595-W597 PolarHBondContact O-N 3.41Å; P595-W597 VanDerWaalsContact O-N 3.07Å |
| 598 | L | 46.9 | Very low | 42.2 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 65% | 0.649 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | -12.2 | -175.5 | -81.1 | 161.4 | 0 | 0 | 0 | 113.9 | P595 | P595-L598 PolarHBondContact O-N 2.98Š|
| 599 | L | 43 | Very low | 41.7 | Very low | 154 Ų | 154 | 151.3 Ų | 151.3 | 81% | 0.806 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -2 | 175 | -96.1 | 87.5 | 0 | 0 | 0 | 114 | ||
| 600 | R | 40 | Very low | 41.1 | Very low | 225 Ų | 225 | 145.4 Ų | 145.4 | 85% | 0.849 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -96 | 2 | -174.2 | -117.3 | -178.2 | -177.6 | -169.9 | 0.4 | 116 | ||
| 601 | H | 39.2 | Very low | 40.4 | Very low | 174 Ų | 174 | 147.4 Ų | 147.4 | 81% | 0.806 | 77% | 0.774 | S | S | * | * | trans | -121.7 | 55.8 | 177.8 | -79.9 | -68.8 | 0 | 0 | 0 | 113.5 | ||||
| 602 | K | 38.1 | Very low | 39.6 | Very low | 193 Ų | 193 | 140.1 Ų | 140.1 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -143.3 | 82.8 | 151.1 | -84.3 | -170 | 178.3 | 174.4 | 0 | 108.6 | ||
| 603 | N | 38.4 | Very low | 38.7 | Very low | 168 Ų | 168 | 145.2 Ų | 145.2 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | 172.4 | 89.2 | 143.1 | -87.1 | -10.5 | 0 | 0 | 0 | 109.7 | ||||
| 604 | S | 31.3 | Very low | 37.7 | Very low | 115 Ų | 115 | 141.5 Ų | 141.5 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -155.9 | 93.8 | 153.2 | 60.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 605 | T | 33.2 | Very low | 36.8 | Very low | 125 Ų | 125 | 142 Ų | 142 | 77% | 0.767 | 78% | 0.783 | S | S | * | * | trans | -66.6 | 135.1 | 161.1 | 41.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 606 | F | 30.6 | Very low | 36.2 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -177.7 | 163.4 | 136.7 | -97.1 | -54.4 | 0 | 0 | 0 | 110.4 | ||||
| 607 | P | 44.6 | Very low | 35.4 | Very low | 120 Ų | 120 | 146.9 Ų | 146.9 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | trans | -113 | 163.1 | -136.1 | 33.2 | -14.1 | 0 | 0 | 0 | 113.3 | ||||
| 608 | G | 28.7 | Very low | 34.4 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | 163.9 | 94 | 168.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 609 | N | 29.1 | Very low | 33.6 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | 46.3 | 120.5 | 136.1 | -94.9 | 3.2 | 0 | 0 | 0 | 123.3 | ||||
| 610 | V | 31.1 | Very low | 33.1 | Very low | 105 Ų | 105 | 150.3 Ų | 150.3 | 64% | 0.636 | 82% | 0.821 | S | S | * | * | 101.6 | 119 | 117.1 | 175.9 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 611 | N | 30 | Very low | 32.9 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 87% | 0.872 | 82% | 0.821 | S | S | * | * | trans | 79.8 | 122.8 | 150.4 | -74.9 | -13.6 | 0 | 0 | 0 | 121.5 | ||||
| 612 | G | 29.7 | Very low | 33.4 | Very low | 79 Ų | 79 | 146.4 Ų | 146.4 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | trans | 160.8 | 67.9 | 156.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 613 | K | 30.6 | Very low | 33.1 | Very low | 204 Ų | 204 | 142.4 Ų | 142.4 | 89% | 0.887 | 82% | 0.816 | S | S | * | * | trans | 8.1 | 133.7 | 158.3 | -73.8 | 176.7 | 172.7 | 177.6 | 0 | 121.7 | ||||
| 614 | A | 30.7 | Very low | 33.4 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | trans | 56.8 | 138.1 | 132.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 615 | V | 32.1 | Very low | 33.9 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 81% | 0.806 | 82% | 0.815 | S | S | * | * | cis | -157.7 | 155.9 | 48.1 | 167.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 616 | S | 30.5 | Very low | 34.4 | Very low | 91 Ų | 91 | 149.7 Ų | 149.7 | 64% | 0.636 | 84% | 0.838 | S | S | * | * | trans | -47.9 | 150.1 | 178.7 | 50.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 617 | E | 32.1 | Very low | 34.5 | Very low | 194 Ų | 194 | 147.1 Ų | 147.1 | 91% | 0.907 | 84% | 0.836 | S | S | * | * | 167.9 | 148.7 | 100.5 | -89 | -170 | 162.7 | 0 | 0 | 112.6 | |||||
| 618 | G | 32.2 | Very low | 34 | Very low | 77 Ų | 77 | 148.5 Ų | 148.5 | 79% | 0.794 | 84% | 0.839 | S | S | * | * | trans | 108 | 72.4 | 145.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 619 | W | 30.6 | Very low | 34.3 | Very low | 255 Ų | 255 | 152.7 Ų | 152.7 | 97% | 0.966 | 84% | 0.843 | S | S | * | * | trans | -64.8 | 140 | 158.4 | -84.5 | 34.5 | 0 | 0 | 0 | 112.2 | ||||
| 620 | K | 32.4 | Very low | 34.6 | Very low | 210 Ų | 210 | 152.4 Ų | 152.4 | 91% | 0.913 | 84% | 0.843 | S | S | * | * | trans | -169.9 | 106.8 | 137.1 | -105.8 | 171.5 | -174.8 | -177.3 | 0 | 112 | ||||
| 621 | K | 36.1 | Very low | 34.8 | Very low | 199 Ų | 199 | 155.4 Ų | 155.4 | 87% | 0.865 | 86% | 0.856 | S | S | * | * | trans | -97.6 | 178.3 | 140.9 | -87.8 | -171.4 | 177.1 | -175.3 | 0 | 106.9 | ||||
| 622 | P | 48.3 | Very low | 35.2 | Very low | 117 Ų | 117 | 154.9 Ų | 154.9 | 76% | 0.76 | 86% | 0.855 | S | S | * | * | cis | -120.7 | -171.9 | -2.5 | 28 | -2.9 | 0 | 0 | 0 | 109.5 | ||||
| 623 | S | 33.5 | Very low | 35.5 | Very low | 110 Ų | 110 | 160.3 Ų | 160.3 | 77% | 0.769 | 86% | 0.858 | S | S | * | * | 179.8 | 163.6 | 53.7 | 49.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 624 | E | 44 | Very low | 35.9 | Very low | 197 Ų | 197 | 156.9 Ų | 156.9 | 92% | 0.921 | 86% | 0.856 | S | S | * | * | trans | -42.9 | 160 | 173.1 | -62.2 | 165.3 | 161.2 | 0 | 0 | 117.8 | ||||
| 625 | G | 42 | Very low | 36.4 | Very low | 74 Ų | 74 | 162.3 Ų | 162.3 | 76% | 0.763 | 86% | 0.863 | S | S | * | * | trans | 177.4 | 83 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 626 | K | 42.6 | Very low | 36.7 | Very low | 290 Ų | 290 | 164.9 Ų | 164.9 | 100% | 1.261 | 87% | 0.869 | S | S | * | * | trans | 65.9 | 0 | 158.6 | -72.5 | -175.6 | 177.4 | 179.9 | 0 | 120.8 |
Retrieved 626 of 626 residues in 565.3 ms
(Link to these results)