| 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 | 44.5 | Very low | 60.8 | Low | 196 Ų | 196 | 103.6 Ų | 103.6 | 97% | 0.966 | 53% | 0.532 | S | S | * | . | 0 | -94.5 | 0 | -73.5 | 170.2 | 169.5 | 0 | 0 | 107.6 | K3 M4 E5 | M1-K3 PolarHBondContact O-N 3.24Å; M1-M4 PolarHBondContact O-N 3.28Å; M1-E5 VanDerWaalsContact C-OE2 3.27Å; M1-E5 WeakPolarHBondContact CB-OE2 3.25Å | |||
| 2 | G | 44 | Very low | 62.9 | Low | 41 Ų | 41 | 95.7 Ų | 95.7 | 42% | 0.423 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 17.2 | -85.8 | 165.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | M4 E5 E6 | G2-M4 VanDerWaalsContact C-N 3.29Å; G2-M4 PolarHBondContact O-N 3.39Å; G2-M4 VanDerWaalsContact O-N 3.16Å; G2-E5 PolarHBondContact N-OE2 3.28Å; G2-E5 CarbonylContact O-C 3.51Å; G2-E5 WeakPolarHBondContact O-CA 3.46Å; G2-E5 WeakPolarHBondContact O-CB 3.49Å; G2-E5 PolarHBondContact O-N 3.37Å; G2-E6 PolarHBondContact O-N 3.12Å |
| 3 | K | 45.6 | Very low | 65 | Low | 171 Ų | 171 | 97.3 Ų | 97.3 | 74% | 0.743 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -49.4 | -39.8 | 179.8 | -73 | -171 | 172.9 | -175 | 0 | 115.3 | M1 E5 E7 | M1-K3 PolarHBondContact O-N 3.24Å; K3-E5 VanDerWaalsContact C-N 3.34Å; K3-E7 WeakPolarHBondContact O-CG 3.43Å; K3-E7 PolarHBondContact O-N 3.07Å |
| 4 | M | 53.5 | Low | 66.9 | Low | 146 Ų | 146 | 92.6 Ų | 92.6 | 72% | 0.719 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -70.4 | -32.7 | 177.3 | -74.3 | 174.4 | 62.8 | 0 | 0 | 112.4 | M1 G2 S8 | M1-M4 PolarHBondContact O-N 3.28Å; G2-M4 VanDerWaalsContact C-N 3.29Å; G2-M4 PolarHBondContact O-N 3.39Å; G2-M4 VanDerWaalsContact O-N 3.16Å; M4-S8 VanDerWaalsContact O-CB 3.26Å; M4-S8 WeakPolarHBondContact O-CB 3.36Å; M4-S8 PolarHBondContact O-N 3.37Å |
| 5 | E | 55.3 | Low | 68.7 | Low | 118 Ų | 118 | 86.5 Ų | 86.5 | 55% | 0.551 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -73.9 | -41.9 | 177 | -66 | 163.7 | 123.6 | 0 | 0 | 109.6 | M1 G2 K3 E7 S8 D9 | M1-E5 VanDerWaalsContact C-OE2 3.27Å; M1-E5 WeakPolarHBondContact CB-OE2 3.25Å; G2-E5 PolarHBondContact N-OE2 3.28Å; G2-E5 CarbonylContact O-C 3.51Å; G2-E5 WeakPolarHBondContact O-CA 3.46Å; G2-E5 WeakPolarHBondContact O-CB 3.49Å; G2-E5 PolarHBondContact O-N 3.37Å; K3-E5 VanDerWaalsContact C-N 3.34Å; E5-E7 PolarHBondContact O-N 3.41Å; E5-S8 PolarHBondContact O-N 3.42Å; E5-D9 WeakPolarHBondContact O-CB 3.49Å; E5-D9 PolarHBondContact O-N 3.11Å |
| 6 | E | 60.8 | Low | 70.1 | Confident | 134 Ų | 134 | 84.3 Ų | 84.3 | 63% | 0.626 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -59.5 | -43.7 | 171.3 | -69.1 | -178.2 | 125.1 | 0 | 0 | 112.7 | G2 N10 | G2-E6 PolarHBondContact O-N 3.12Å; E6-N10 VanDerWaalsContact O-CB 3.26Å; E6-N10 WeakPolarHBondContact O-CB 3.48Å; E6-N10 PolarHBondContact O-N 3.06Å |
| 7 | E | 62.7 | Low | 71.5 | Confident | 94 Ų | 94 | 84.6 Ų | 84.6 | 44% | 0.439 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -67.5 | -41.7 | 176 | -75.4 | -163.8 | 108.7 | 0 | 0 | 112.4 | K3 E5 N10 V11 R37 | K3-E7 WeakPolarHBondContact O-CG 3.43Å; K3-E7 PolarHBondContact O-N 3.07Å; E5-E7 PolarHBondContact O-N 3.41Å; E7-N10 PolarHBondContact O-N 3.3Å; E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.48Å; E7-R37 IonicContact OE1-CZ 2.75Å; E7-R37 IonicContact OE1-NH1 3.83Å; E7-R37 PolarHBondContact OE1-NH1 3.09Å; E7-R37 IonicContact OE1-NH2 3.8Å; E7-R37 PolarHBondContact OE1-NH2 3.46Å |
| 8 | S | 62.7 | Low | 72.8 | Confident | 57 Ų | 57 | 79.9 Ų | 79.9 | 40% | 0.399 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 173.8 | 172.2 | 0 | 0 | 0 | 0 | 111.7 | M4 E5 N10 V11 G12 | M4-S8 VanDerWaalsContact O-CB 3.26Å; M4-S8 WeakPolarHBondContact O-CB 3.36Å; M4-S8 PolarHBondContact O-N 3.37Å; E5-S8 PolarHBondContact O-N 3.42Å; S8-N10 VanDerWaalsContact C-N 3.34Å; S8-V11 PolarHBondContact O-N 3.21Å; S8-G12 PolarHBondContact O-N 3.17Å |
| 9 | D | 69.5 | Low | 73.9 | Confident | 97 Ų | 97 | 76.9 Ų | 76.9 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -67.3 | -33.7 | 176.6 | -99.2 | 20.9 | 0 | 0 | 0 | 112.6 | E5 G12 K13 | E5-D9 WeakPolarHBondContact O-CB 3.49Å; E5-D9 PolarHBondContact O-N 3.11Å; D9-G12 PolarHBondContact O-N 3.46Å; D9-K13 VanDerWaalsContact O-CD 3.3Å; D9-K13 WeakPolarHBondContact O-CD 3.46Å; D9-K13 WeakPolarHBondContact O-CG 3.5Å; D9-K13 PolarHBondContact O-N 3.48Å; D9-K13 IonicContact OD2-NZ 2.69Å |
| 10 | N | 83.6 | Confident | 74.8 | Confident | 69 Ų | 69 | 79.8 Ų | 79.8 | 37% | 0.369 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.3 | -45.4 | 175.1 | -165.2 | -1.9 | 0 | 0 | 0 | 111.1 | E6 E7 S8 G12 K13 L14 | E6-N10 VanDerWaalsContact O-CB 3.26Å; E6-N10 WeakPolarHBondContact O-CB 3.48Å; E6-N10 PolarHBondContact O-N 3.06Å; E7-N10 PolarHBondContact O-N 3.3Å; S8-N10 VanDerWaalsContact C-N 3.34Å; N10-G12 VanDerWaalsContact C-N 3.29Å; N10-G12 PolarHBondContact O-N 3.31Å; N10-K13 PolarHBondContact O-N 3.27Å; N10-L14 WeakPolarHBondContact O-CG 3.33Å; N10-L14 PolarHBondContact O-N 3.26Å |
| 11 | V | 86.4 | Confident | 75.8 | Confident | 17 Ų | 17 | 76.7 Ų | 76.7 | 10% | 0.103 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 170.7 | 168.4 | 0 | 0 | 0 | 0 | 111.2 | E7 S8 L14 F15 L38 V56 | E7-V11 WeakPolarHBondContact O-CG2 3.32Å; E7-V11 PolarHBondContact O-N 3.48Å; S8-V11 PolarHBondContact O-N 3.21Å; V11-L14 PolarHBondContact O-N 3.27Å; V11-F15 WeakPolarHBondContact O-CB 3.42Å; V11-F15 PolarHBondContact O-N 3.44Å; V11-L38 HydrophobicContact CB-CD2 4.39Å; V11-L38 HydrophobicContact CG1-CD2 3.78Å; V11-L38 HydrophobicContact CG2-CD2 3.63Å; V11-V56 HydrophobicContact CG1-CG2 4.1Å |
| 12 | G | 86.6 | Confident | 78 | Confident | 8 Ų | 8 | 71.4 Ų | 71.4 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56 | -50.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | S8 D9 N10 F15 E16 | S8-G12 PolarHBondContact O-N 3.17Å; D9-G12 PolarHBondContact O-N 3.46Å; N10-G12 VanDerWaalsContact C-N 3.29Å; N10-G12 PolarHBondContact O-N 3.31Å; G12-F15 PolarHBondContact O-N 3.33Å; G12-E16 WeakPolarHBondContact O-CG 3.48Å; G12-E16 PolarHBondContact O-N 3.24Å |
| 13 | K | 89.3 | Confident | 80.4 | Confident | 117 Ų | 117 | 73.1 Ų | 73.1 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 178 | -70 | 156.1 | -166.6 | 163.6 | 0 | 112.2 | D9 N10 E16 N17 | D9-K13 VanDerWaalsContact O-CD 3.3Å; D9-K13 WeakPolarHBondContact O-CD 3.46Å; D9-K13 WeakPolarHBondContact O-CG 3.5Å; D9-K13 PolarHBondContact O-N 3.48Å; D9-K13 IonicContact OD2-NZ 2.69Å; N10-K13 PolarHBondContact O-N 3.27Å; K13-E16 PolarHBondContact O-N 3.22Å; K13-N17 PolarHBondContact O-N 3.34Å; K13-N17 PolarHBondContact O-OD1 3.44Å |
| 14 | L | 92.4 | Very high | 82.8 | Confident | 31 Ų | 31 | 65.1 Ų | 65.1 | 16% | 0.162 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -63 | -42.1 | 175.8 | -69.6 | 178.6 | 0 | 0 | 0 | 112.5 | N10 V11 E16 N17 F18 V33 L34 R37 | N10-L14 WeakPolarHBondContact O-CG 3.33Å; N10-L14 PolarHBondContact O-N 3.26Å; V11-L14 PolarHBondContact O-N 3.27Å; L14-E16 VanDerWaalsContact C-N 3.35Å; L14-N17 PolarHBondContact O-N 2.95Å; L14-F18 PolarHBondContact O-N 3.32Å; L14-F18 VanDerWaalsContact O-N 3.11Å; L14-V33 HydrophobicContact CD2-CG1 3.95Å; L14-L34 HydrophobicContact CB-CD1 3.85Å; L14-R37 HydrophobicContact CD1-CB 3.79Å; L14-R37 HydrophobicContact CD1-CG 3.73Å |
| 15 | F | 92.9 | Very high | 84.8 | Confident | 1 Ų | 1 | 62.6 Ų | 62.6 | 0% | 0.004 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67 | -35.6 | 175.8 | -175.7 | -110.8 | 0 | 0 | 0 | 112.4 | V11 G12 F18 I19 L34 V56 A61 L64 W65 I171 | V11-F15 WeakPolarHBondContact O-CB 3.42Å; V11-F15 PolarHBondContact O-N 3.44Å; G12-F15 PolarHBondContact O-N 3.33Å; F15-F18 HydrophobicContact CD2-CD1 4.2Å; F15-F18 HydrophobicContact CE2-CD1 4.22Å; F15-F18 HydrophobicContact CE2-CE1 4.45Å; F15-F18 PolarHBondContact O-N 2.96Å; F15-I19 HydrophobicContact CD1-CD1 3.89Å; F15-I19 HydrophobicContact CE1-CD1 3.36Å; F15-I19 HydrophobicContact CE1-CG1 4.29Å; F15-I19 HydrophobicContact CZ-CD1 3.74Å; F15-I19 HydrophobicContact CZ-CG1 4.36Å; F15-I19 WeakPolarHBondContact O-CG1 3.33Å; F15-I19 PolarHBondContact O-N 3.28Å; F15-L34 HydrophobicContact CB-CD1 4.39Å; F15-L34 HydrophobicContact CB-CD2 4.42Å; F15-L34 HydrophobicContact CD2-CD2 3.83Å; F15-V56 HydrophobicContact CB-CG1 4.1Å; F15-V56 HydrophobicContact CD1-CG1 3.95Å; F15-V56 HydrophobicContact CD2-CG1 4.03Å; F15-V56 HydrophobicContact CE1-CG1 4.36Å; F15-V56 HydrophobicContact CE2-CG1 4.43Å; F15-V56 HydrophobicContact CG-CG1 3.76Å; F15-A61 HydrophobicContact CD1-CB 3.95Å; F15-A61 HydrophobicContact CE1-CB 3.41Å; F15-A61 VanDerWaalsContact CE1-CB 3.41Å; F15-A61 HydrophobicContact CZ-CB 4.06Å; F15-L64 HydrophobicContact CZ-CD2 4.23Å; F15-W65 AromaticContact CE2-CH2 3.7Å; F15-W65 HydrophobicContact CE2-CH2 3.7Å; F15-W65 HydrophobicContact CE2-CZ2 4.08Å; F15-W65 AromaticContact CZ-CH2 3.55Å; F15-W65 HydrophobicContact CZ-CH2 3.55Å; F15-W65 AromaticContact CZ-CZ2 3.83Å; F15-W65 HydrophobicContact CZ-CZ2 3.83Å; F15-W65 HydrophobicContact CZ-CZ3 4.38Å; F15-I171 HydrophobicContact CE2-CD1 4.4Å |
| 16 | E | 91.7 | Very high | 86.7 | Confident | 51 Ų | 51 | 57.9 Ų | 57.9 | 24% | 0.238 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.2 | -40.9 | 172.7 | -73.6 | -167.2 | -127.7 | 0 | 0 | 112.8 | G12 K13 L14 F18 I19 Q20 K60 | G12-E16 WeakPolarHBondContact O-CG 3.48Å; G12-E16 PolarHBondContact O-N 3.24Å; K13-E16 PolarHBondContact O-N 3.22Å; L14-E16 VanDerWaalsContact C-N 3.35Å; E16-F18 VanDerWaalsContact C-N 3.29Å; E16-F18 PolarHBondContact O-N 3.16Å; E16-I19 PolarHBondContact O-N 3.08Å; E16-I19 VanDerWaalsContact O-N 3.16Å; E16-Q20 WeakPolarHBondContact O-CB 3.42Å; E16-Q20 VanDerWaalsContact O-CG 3.27Å; E16-Q20 WeakPolarHBondContact O-CG 3.38Å; E16-Q20 PolarHBondContact O-N 2.8Å; E16-K60 VanDerWaalsContact CD-CD 3.47Å; E16-K60 HydrophobicContact CG-CD 4.11Å; E16-K60 VanDerWaalsContact OE1-CD 3.27Å; E16-K60 WeakPolarHBondContact OE1-CD 3.29Å; E16-K60 WeakPolarHBondContact OE1-CE 3.24Å; E16-K60 IonicContact OE1-NZ 3.18Å; E16-K60 PolarHBondContact OE1-NZ 3.43Å; E16-K60 IonicContact OE2-NZ 2.75Å; E16-K60 PolarHBondContact OE2-NZ 2.95Å |
| 17 | N | 93.7 | Very high | 88.4 | Confident | 91 Ų | 91 | 51.5 Ų | 51.5 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.8 | -41.6 | 173.9 | -68.9 | -14.2 | 0 | 0 | 0 | 111.4 | K13 L14 Q20 A21 | K13-N17 PolarHBondContact O-N 3.34Å; K13-N17 PolarHBondContact O-OD1 3.44Å; L14-N17 PolarHBondContact O-N 2.95Å; N17-Q20 PolarHBondContact O-N 3.32Å; N17-A21 PolarHBondContact O-N 2.89Å |
| 18 | F | 95.2 | Very high | 90 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.3 | -44.1 | 173.3 | 164.6 | -108 | 0 | 0 | 0 | 112.8 | L14 F15 E16 Q20 A21 T27 A30 F31 K167 L170 I171 | L14-F18 PolarHBondContact O-N 3.32Å; L14-F18 VanDerWaalsContact O-N 3.11Å; F15-F18 HydrophobicContact CD2-CD1 4.2Å; F15-F18 HydrophobicContact CE2-CD1 4.22Å; F15-F18 HydrophobicContact CE2-CE1 4.45Å; F15-F18 PolarHBondContact O-N 2.96Å; E16-F18 VanDerWaalsContact C-N 3.29Å; E16-F18 PolarHBondContact O-N 3.16Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.4Å; F18-A21 PolarHBondContact O-N 2.92Å; F18-T27 HydrophobicContact CD2-CG2 4.02Å; F18-T27 HydrophobicContact CE2-CG2 3.63Å; F18-A30 HydrophobicContact CB-CB 4.01Å; F18-F31 HydrophobicContact CD2-CB 3.71Å; F18-F31 HydrophobicContact CD2-CD2 4.02Å; F18-F31 HydrophobicContact CD2-CG 4.35Å; F18-F31 HydrophobicContact CE1-CD2 4.24Å; F18-F31 HydrophobicContact CE2-CB 3.71Å; F18-F31 AromaticContact CE2-CD2 3.57Å; F18-F31 HydrophobicContact CE2-CD2 3.57Å; F18-F31 AromaticContact CE2-CG 3.99Å; F18-F31 HydrophobicContact CE2-CG 3.99Å; F18-F31 AromaticContact CZ-CD2 3.69Å; F18-F31 HydrophobicContact CZ-CD2 3.69Å; F18-F31 HydrophobicContact CZ-CE2 4.29Å; F18-K167 HydrophobicContact CE1-CB 4.42Å; F18-K167 HydrophobicContact CE2-CG 4.09Å; F18-K167 HydrophobicContact CZ-CB 3.93Å; F18-K167 HydrophobicContact CZ-CG 3.96Å; F18-K167 WeakPolarHBondContact O-CE 3.24Å; F18-L170 HydrophobicContact CE2-CD1 4.01Å; F18-L170 HydrophobicContact CZ-CB 4.4Å; F18-I171 HydrophobicContact CE1-CD1 3.96Å; F18-I171 HydrophobicContact CE1-CG1 3.96Å; F18-I171 HydrophobicContact CZ-CG1 4.3Å |
| 19 | I | 93.4 | Very high | 91.6 | Very high | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -39.2 | 175.4 | -76.3 | -179.8 | 0 | 0 | 0 | 111.6 | F15 E16 K143 F144 K167 | F15-I19 HydrophobicContact CD1-CD1 3.89Å; F15-I19 HydrophobicContact CE1-CD1 3.36Å; F15-I19 HydrophobicContact CE1-CG1 4.29Å; F15-I19 HydrophobicContact CZ-CD1 3.74Å; F15-I19 HydrophobicContact CZ-CG1 4.36Å; F15-I19 WeakPolarHBondContact O-CG1 3.33Å; F15-I19 PolarHBondContact O-N 3.28Å; E16-I19 PolarHBondContact O-N 3.08Å; E16-I19 VanDerWaalsContact O-N 3.16Å; I19-K143 WeakPolarHBondContact CG2-O 3.45Å; I19-F144 HydrophobicContact CG1-CD1 4.12Å; I19-F144 HydrophobicContact CG1-CE1 4.12Å; I19-F144 HydrophobicContact CG2-CD1 4.45Å; I19-K167 PolarHBondContact O-NZ 2.73Å |
| 20 | Q | 92.8 | Very high | 92.8 | Very high | 134 Ų | 134 | 48 Ų | 48 | 63% | 0.626 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -81.9 | -14.5 | -176.8 | -67.1 | 177.3 | 32.8 | 0 | 0 | 114.1 | E16 N17 F18 S22 | E16-Q20 WeakPolarHBondContact O-CB 3.42Å; E16-Q20 VanDerWaalsContact O-CG 3.27Å; E16-Q20 WeakPolarHBondContact O-CG 3.38Å; E16-Q20 PolarHBondContact O-N 2.8Å; N17-Q20 PolarHBondContact O-N 3.32Å; F18-Q20 VanDerWaalsContact C-N 3.33Å; F18-Q20 PolarHBondContact O-N 3.4Å; Q20-S22 PolarHBondContact O-N 2.99Å |
| 21 | A | 94.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 44.9 Ų | 44.9 | 12% | 0.124 | 24% | 0.241 | C | C | . | . | trans | -54.4 | 126.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | N17 F18 K167 | N17-A21 PolarHBondContact O-N 2.89Å; F18-A21 PolarHBondContact O-N 2.92Å; A21-K167 WeakPolarHBondContact O-CE 3.45Å; A21-K167 PolarHBondContact O-NZ 3.15Å | ||
| 22 | S | 91.8 | Very high | 93.8 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 59% | 0.594 | 25% | 0.253 | S | S | * | . | trans | -97.4 | -3.4 | -172.5 | 55.6 | 0 | 0 | 0 | 0 | 114.9 | Q20 L163 | Q20-S22 PolarHBondContact O-N 2.99Å; S22-L163 VanDerWaalsContact O-CD1 3.3Å; S22-L163 WeakPolarHBondContact O-CD1 3.39Å | ||
| 23 | T | 94.6 | Very high | 94.2 | Very high | 76 Ų | 76 | 50.3 Ų | 50.3 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -130.2 | 157.4 | -177.9 | 69.2 | 0 | 0 | 0 | 0 | 111.3 | G26 T27 | T23-G26 PolarHBondContact O-N 3.21Å; T23-G26 PolarHBondContact OG1-N 3.4Å; T23-T27 WeakPolarHBondContact O-CB 3.22Å; T23-T27 PolarHBondContact O-N 3.07Å; T23-T27 PolarHBondContact O-OG1 2.94Å |
| 24 | C | 94.9 | Very high | 94.5 | Very high | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.027 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -55 | 178.3 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | G26 T27 L28 F120 | C24-G26 PolarHBondContact O-N 3.44Å; C24-T27 WeakPolarHBondContact O-CB 3.36Å; C24-T27 PolarHBondContact O-N 3.09Å; C24-T27 VanDerWaalsContact O-N 3.16Å; C24-L28 WeakPolarHBondContact O-CG 3.49Å; C24-L28 PolarHBondContact O-N 2.87Å; C24-F120 HydrophobicContact CB-CD1 4.36Å; C24-F120 HydrophobicContact CB-CD2 3.95Å; C24-F120 HydrophobicContact CB-CE1 4.47Å; C24-F120 HydrophobicContact CB-CE2 4.07Å; C24-F120 HydrophobicContact CB-CG 4.11Å; C24-F120 HydrophobicContact CB-CZ 4.33Å |
| 25 | K | 94.9 | Very high | 94.6 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 40% | 0.404 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.4 | -45.6 | 175.6 | -70.2 | 178.6 | 173.4 | 172.7 | 0 | 112.8 | T27 L28 Q29 D118 I178 | K25-T27 VanDerWaalsContact C-N 3.33Å; K25-T27 PolarHBondContact O-N 2.84Å; K25-L28 PolarHBondContact O-N 3.39Å; K25-Q29 WeakPolarHBondContact O-CB 3.44Å; K25-Q29 VanDerWaalsContact O-CG 3.25Å; K25-Q29 WeakPolarHBondContact O-CG 3.37Å; K25-Q29 PolarHBondContact O-N 3.41Å; K25-D118 WeakPolarHBondContact CE-O 3.48Å; K25-D118 VanDerWaalsContact CE-OD2 3.28Å; K25-D118 WeakPolarHBondContact CE-OD2 3.3Å; K25-D118 WeakPolarHBondContact CG-O 3.46Å; K25-D118 IonicContact NZ-OD2 2.73Å; K25-D118 PolarHBondContact NZ-OD2 3.4Å; K25-I178 HydrophobicContact CG-CD1 3.85Å |
| 26 | G | 95.8 | Very high | 94.6 | Very high | 18 Ų | 18 | 52.8 Ų | 52.8 | 19% | 0.186 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -36.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | T23 C24 A30 | T23-G26 PolarHBondContact O-N 3.21Å; T23-G26 PolarHBondContact OG1-N 3.4Å; C24-G26 PolarHBondContact O-N 3.44Å; G26-A30 VanDerWaalsContact O-CB 3.28Å; G26-A30 WeakPolarHBondContact O-CB 3.31Å; G26-A30 PolarHBondContact O-N 2.98Å |
| 27 | T | 97 | Very high | 94.6 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 174.4 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | F18 T23 C24 K25 A30 F31 L166 K167 L170 | F18-T27 HydrophobicContact CD2-CG2 4.02Å; F18-T27 HydrophobicContact CE2-CG2 3.63Å; T23-T27 WeakPolarHBondContact O-CB 3.22Å; T23-T27 PolarHBondContact O-N 3.07Å; T23-T27 PolarHBondContact O-OG1 2.94Å; C24-T27 WeakPolarHBondContact O-CB 3.36Å; C24-T27 PolarHBondContact O-N 3.09Å; C24-T27 VanDerWaalsContact O-N 3.16Å; K25-T27 VanDerWaalsContact C-N 3.33Å; K25-T27 PolarHBondContact O-N 2.84Å; T27-A30 PolarHBondContact O-N 3.31Å; T27-F31 VanDerWaalsContact O-CB 3.29Å; T27-F31 WeakPolarHBondContact O-CB 3.49Å; T27-F31 PolarHBondContact O-N 3.22Å; T27-L166 HydrophobicContact CG2-CD2 4.17Å; T27-L166 HydrophobicContact CG2-CG 4.36Å; T27-K167 HydrophobicContact CG2-CD 4.44Å; T27-K167 HydrophobicContact CG2-CG 3.61Å; T27-L170 HydrophobicContact CG2-CD1 4.1Å |
| 28 | L | 96 | Very high | 94.5 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 11% | 0.105 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.7 | -68.2 | 165.1 | 0 | 0 | 0 | 112 | C24 K25 F31 N32 L170 F176 I178 | C24-L28 WeakPolarHBondContact O-CG 3.49Å; C24-L28 PolarHBondContact O-N 2.87Å; K25-L28 PolarHBondContact O-N 3.39Å; L28-F31 PolarHBondContact O-N 3.04Å; L28-N32 WeakPolarHBondContact O-CB 3.47Å; L28-N32 PolarHBondContact O-N 3.18Å; L28-N32 PolarHBondContact O-ND2 2.83Å; L28-L170 HydrophobicContact CD2-CD1 3.95Å; L28-L170 HydrophobicContact CD2-CD2 3.94Å; L28-F176 HydrophobicContact CD1-CD1 4.19Å; L28-F176 HydrophobicContact CD1-CE1 4.48Å; L28-F176 HydrophobicContact CD2-CD1 4.06Å; L28-I178 HydrophobicContact CD1-CD1 4.02Å; L28-I178 HydrophobicContact CD1-CG1 4.29Å; L28-I178 HydrophobicContact CD1-CG2 3.91Å |
| 29 | Q | 95.8 | Very high | 94.3 | Very high | 132 Ų | 132 | 58.7 Ų | 58.7 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -63.4 | -48.1 | 176.4 | -74.9 | 169.9 | -22 | 0 | 0 | 112 | K25 F31 N32 V33 | K25-Q29 WeakPolarHBondContact O-CB 3.44Å; K25-Q29 VanDerWaalsContact O-CG 3.25Å; K25-Q29 WeakPolarHBondContact O-CG 3.37Å; K25-Q29 PolarHBondContact O-N 3.41Å; Q29-F31 VanDerWaalsContact C-N 3.33Å; Q29-F31 PolarHBondContact O-N 3.34Å; Q29-N32 PolarHBondContact O-N 3.39Å; Q29-V33 WeakPolarHBondContact O-CG2 3.49Å; Q29-V33 PolarHBondContact O-N 3.36Å |
| 30 | A | 96.3 | Very high | 94.2 | Very high | 23 Ų | 23 | 58.8 Ų | 58.8 | 19% | 0.19 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -39.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | F18 G26 T27 V33 L34 | F18-A30 HydrophobicContact CB-CB 4.01Å; G26-A30 VanDerWaalsContact O-CB 3.28Å; G26-A30 WeakPolarHBondContact O-CB 3.31Å; G26-A30 PolarHBondContact O-N 2.98Å; T27-A30 PolarHBondContact O-N 3.31Å; A30-V33 PolarHBondContact O-N 3.23Å; A30-L34 WeakPolarHBondContact O-CB 3.43Å; A30-L34 PolarHBondContact O-N 2.92Å |
| 31 | F | 96 | Very high | 93.9 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 174.7 | -170.9 | -106.5 | 0 | 0 | 0 | 112.4 | F18 T27 L28 Q29 V33 L34 C35 P42 F48 L170 | F18-F31 HydrophobicContact CD2-CB 3.71Å; F18-F31 HydrophobicContact CD2-CD2 4.02Å; F18-F31 HydrophobicContact CD2-CG 4.35Å; F18-F31 HydrophobicContact CE1-CD2 4.24Å; F18-F31 HydrophobicContact CE2-CB 3.71Å; F18-F31 AromaticContact CE2-CD2 3.57Å; F18-F31 HydrophobicContact CE2-CD2 3.57Å; F18-F31 AromaticContact CE2-CG 3.99Å; F18-F31 HydrophobicContact CE2-CG 3.99Å; F18-F31 AromaticContact CZ-CD2 3.69Å; F18-F31 HydrophobicContact CZ-CD2 3.69Å; F18-F31 HydrophobicContact CZ-CE2 4.29Å; T27-F31 VanDerWaalsContact O-CB 3.29Å; T27-F31 WeakPolarHBondContact O-CB 3.49Å; T27-F31 PolarHBondContact O-N 3.22Å; L28-F31 PolarHBondContact O-N 3.04Å; Q29-F31 VanDerWaalsContact C-N 3.33Å; Q29-F31 PolarHBondContact O-N 3.34Å; F31-V33 PolarHBondContact O-N 3.23Å; F31-L34 WeakPolarHBondContact O-CB 3.39Å; F31-L34 PolarHBondContact O-N 2.71Å; F31-C35 VanDerWaalsContact CE1-SG 3.59Å; F31-C35 PolarHBondContact O-N 2.73Å; F31-C35 PolarHBondContact O-SG 2.88Å; F31-P42 HydrophobicContact CE1-CG 4.16Å; F31-F48 HydrophobicContact CE1-CZ 4.18Å; F31-F48 HydrophobicContact CE2-CZ 4.32Å; F31-F48 AromaticContact CZ-CE1 3.75Å; F31-F48 HydrophobicContact CZ-CE1 3.75Å; F31-F48 AromaticContact CZ-CZ 3.5Å; F31-F48 HydrophobicContact CZ-CZ 3.5Å; F31-L170 HydrophobicContact CB-CD1 4.27Å; F31-L170 HydrophobicContact CD1-CB 4.14Å; F31-L170 HydrophobicContact CD1-CD1 4.33Å; F31-L170 HydrophobicContact CD1-CD2 3.99Å; F31-L170 HydrophobicContact CD1-CG 4.38Å; F31-L170 HydrophobicContact CD2-CB 4.01Å; F31-L170 HydrophobicContact CE1-CB 3.93Å; F31-L170 HydrophobicContact CE1-CD2 4.02Å; F31-L170 HydrophobicContact CE1-CG 4.48Å; F31-L170 HydrophobicContact CE2-CB 3.8Å; F31-L170 HydrophobicContact CG-CB 4.17Å; F31-L170 HydrophobicContact CG-CD1 4.15Å; F31-L170 HydrophobicContact CZ-CB 3.75Å; F31-L170 WeakPolarHBondContact CZ-O 2.82Å |
| 32 | N | 94.8 | Very high | 93.4 | Very high | 67 Ų | 67 | 57.3 Ų | 57.3 | 36% | 0.358 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.8 | -36.6 | 178.1 | -72.1 | -13.8 | 0 | 0 | 0 | 112.2 | L28 Q29 R36 | L28-N32 WeakPolarHBondContact O-CB 3.47Å; L28-N32 PolarHBondContact O-N 3.18Å; L28-N32 PolarHBondContact O-ND2 2.83Å; Q29-N32 PolarHBondContact O-N 3.39Å; N32-R36 WeakPolarHBondContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CG 3.41Å; N32-R36 PolarHBondContact O-N 3.46Å |
| 33 | V | 95.2 | Very high | 92.9 | Very high | 72 Ų | 72 | 55.5 Ų | 55.5 | 44% | 0.436 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 172.7 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | L14 Q29 A30 F31 R37 | L14-V33 HydrophobicContact CD2-CG1 3.95Å; Q29-V33 WeakPolarHBondContact O-CG2 3.49Å; Q29-V33 PolarHBondContact O-N 3.36Å; A30-V33 PolarHBondContact O-N 3.23Å; F31-V33 PolarHBondContact O-N 3.23Å; V33-R37 WeakPolarHBondContact O-CB 3.38Å; V33-R37 PolarHBondContact O-N 2.95Å |
| 34 | L | 94.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 174.8 | 179.1 | 69 | 0 | 0 | 0 | 111.5 | L14 F15 A30 F31 R36 R37 L38 L52 | L14-L34 HydrophobicContact CB-CD1 3.85Å; F15-L34 HydrophobicContact CB-CD1 4.39Å; F15-L34 HydrophobicContact CB-CD2 4.42Å; F15-L34 HydrophobicContact CD2-CD2 3.83Å; A30-L34 WeakPolarHBondContact O-CB 3.43Å; A30-L34 PolarHBondContact O-N 2.92Å; F31-L34 WeakPolarHBondContact O-CB 3.39Å; F31-L34 PolarHBondContact O-N 2.71Å; L34-R36 PolarHBondContact O-N 3.28Å; L34-R37 PolarHBondContact O-N 3.02Å; L34-L38 HydrophobicContact CD1-CD1 3.83Å; L34-L38 HydrophobicContact CD1-CG 4.19Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 WeakPolarHBondContact O-CB 3.46Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.47Å; L34-L38 PolarHBondContact O-N 2.99Å; L34-L52 HydrophobicContact CD2-CD1 4.36Å |
| 35 | C | 93.8 | Very high | 91.9 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -44.7 | -179.1 | -65.3 | 0 | 0 | 0 | 0 | 112 | F31 L38 D39 L40 P42 | F31-C35 VanDerWaalsContact CE1-SG 3.59Å; F31-C35 PolarHBondContact O-N 2.73Å; F31-C35 PolarHBondContact O-SG 2.88Å; C35-L38 PolarHBondContact O-N 3Å; C35-D39 PolarHBondContact O-N 3.31Å; C35-L40 WeakPolarHBondContact CB-O 3.49Å; C35-L40 PolarHBondContact O-N 3.13Å; C35-P42 HydrophobicContact CB-CG 4.5Å |
| 36 | R | 92.9 | Very high | 91.3 | Very high | 198 Ų | 198 | 58.5 Ų | 58.5 | 75% | 0.747 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -60.7 | -44.6 | 174.1 | -70.6 | 171 | -168.5 | 178 | 3 | 112.6 | N32 L34 L38 D39 | N32-R36 WeakPolarHBondContact O-CB 3.3Å; N32-R36 WeakPolarHBondContact O-CG 3.41Å; N32-R36 PolarHBondContact O-N 3.46Å; L34-R36 PolarHBondContact O-N 3.28Å; R36-L38 VanDerWaalsContact C-N 3.27Å; R36-L38 PolarHBondContact O-N 2.87Å; R36-D39 PolarHBondContact O-N 3.42Å |
| 37 | R | 92.4 | Very high | 90.9 | Very high | 109 Ų | 109 | 61.5 Ų | 61.5 | 41% | 0.411 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -69.2 | -26.8 | -179.6 | -177.7 | 53 | 174.3 | 107.7 | -8.2 | 112.9 | E7 L14 V33 L34 | E7-R37 IonicContact OE1-CZ 2.75Å; E7-R37 IonicContact OE1-NH1 3.83Å; E7-R37 PolarHBondContact OE1-NH1 3.09Å; E7-R37 IonicContact OE1-NH2 3.8Å; E7-R37 PolarHBondContact OE1-NH2 3.46Å; L14-R37 HydrophobicContact CD1-CB 3.79Å; L14-R37 HydrophobicContact CD1-CG 3.73Å; V33-R37 WeakPolarHBondContact O-CB 3.38Å; V33-R37 PolarHBondContact O-N 2.95Å; L34-R37 PolarHBondContact O-N 3.02Å |
| 38 | L | 91 | Very high | 90.7 | Very high | 18 Ų | 18 | 61.7 Ų | 61.7 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -87.4 | -8.8 | 176.5 | -70.4 | -177.3 | 0 | 0 | 0 | 114 | V11 L34 C35 R36 L40 L52 K55 V56 | V11-L38 HydrophobicContact CB-CD2 4.39Å; V11-L38 HydrophobicContact CG1-CD2 3.78Å; V11-L38 HydrophobicContact CG2-CD2 3.63Å; L34-L38 HydrophobicContact CD1-CD1 3.83Å; L34-L38 HydrophobicContact CD1-CG 4.19Å; L34-L38 HydrophobicContact CG-CD1 3.96Å; L34-L38 WeakPolarHBondContact O-CB 3.46Å; L34-L38 VanDerWaalsContact O-CG 3.3Å; L34-L38 WeakPolarHBondContact O-CG 3.47Å; L34-L38 PolarHBondContact O-N 2.99Å; C35-L38 PolarHBondContact O-N 3Å; R36-L38 VanDerWaalsContact C-N 3.27Å; R36-L38 PolarHBondContact O-N 2.87Å; L38-L40 HydrophobicContact CB-CD1 3.82Å; L38-L40 HydrophobicContact CB-CG 3.93Å; L38-L40 HydrophobicContact CD1-CD1 3.9Å; L38-L52 HydrophobicContact CD1-CD1 3.84Å; L38-K55 HydrophobicContact CB-CD 4.17Å; L38-K55 HydrophobicContact CD1-CB 4.32Å; L38-K55 HydrophobicContact CD2-CB 4.02Å; L38-K55 VanDerWaalsContact O-CD 3.24Å; L38-K55 WeakPolarHBondContact O-CD 3.41Å; L38-K55 WeakPolarHBondContact O-CE 3.21Å; L38-K55 PolarHBondContact O-NZ 3.45Å; L38-V56 HydrophobicContact CD1-CG2 3.52Å |
| 39 | D | 91.3 | Very high | 90.6 | Very high | 139 Ų | 139 | 61.9 Ų | 61.9 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 68.6 | -166.7 | -167.6 | 43.7 | 0 | 0 | 0 | 111.1 | C35 R36 K55 | C35-D39 PolarHBondContact O-N 3.31Å; R36-D39 PolarHBondContact O-N 3.42Å; D39-K55 PolarHBondContact O-NZ 2.72Å |
| 40 | L | 92.1 | Very high | 90.4 | Very high | 25 Ų | 25 | 59.1 Ų | 59.1 | 13% | 0.131 | 31% | 0.313 | C | S | . | . | trans | -136.3 | 131.9 | 177.1 | -66.3 | 174.8 | 0 | 0 | 0 | 109.4 | C35 L38 F48 L52 K55 | C35-L40 WeakPolarHBondContact CB-O 3.49Å; C35-L40 PolarHBondContact O-N 3.13Å; L38-L40 HydrophobicContact CB-CD1 3.82Å; L38-L40 HydrophobicContact CB-CG 3.93Å; L38-L40 HydrophobicContact CD1-CD1 3.9Å; L40-F48 HydrophobicContact CB-CD2 4.41Å; L40-F48 HydrophobicContact CB-CE2 3.95Å; L40-L52 HydrophobicContact CD1-CB 4.02Å; L40-L52 HydrophobicContact CD1-CD1 3.86Å; L40-K55 HydrophobicContact CD1-CD 4.26Å; L40-K55 HydrophobicContact CD2-CD 4Å; L40-K55 HydrophobicContact CG-CD 4.11Å | ||
| 41 | D | 86.9 | Confident | 90.3 | Very high | 84 Ų | 84 | 60.1 Ų | 60.1 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | trans | -104.5 | 116.7 | 175 | 169.5 | 25.1 | 0 | 0 | 0 | 110.6 | A43 N44 F48 | D41-A43 PolarHBondContact O-N 3.12Å; D41-A43 WeakPolarHBondContact OD1-CB 3.31Å; D41-A43 PolarHBondContact OD1-N 2.85Å; D41-A43 WeakPolarHBondContact OD2-CB 2.9Å; D41-N44 PolarHBondContact O-N 2.86Å; D41-N44 PolarHBondContact OD2-ND2 3.34Å; D41-F48 WeakPolarHBondContact O-CD2 3.3Å | ||
| 42 | P | 83.6 | Confident | 90.1 | Very high | 33 Ų | 33 | 60 Ų | 60 | 21% | 0.214 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.4 | 175.4 | -24.8 | 35.7 | 0 | 0 | 0 | 115.4 | F31 C35 N44 F48 | F31-P42 HydrophobicContact CE1-CG 4.16Å; C35-P42 HydrophobicContact CB-CG 4.5Å; P42-N44 PolarHBondContact O-N 3.01Å; P42-F48 HydrophobicContact CB-CE2 4.29Å; P42-F48 HydrophobicContact CG-CE2 4.01Å; P42-F48 HydrophobicContact CG-CZ 4.41Å |
| 43 | A | 81.2 | Confident | 90.1 | Very high | 48 Ų | 48 | 60.1 Ų | 60.1 | 40% | 0.397 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -32.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D41 H45 K110 | D41-A43 PolarHBondContact O-N 3.12Å; D41-A43 WeakPolarHBondContact OD1-CB 3.31Å; D41-A43 PolarHBondContact OD1-N 2.85Å; D41-A43 WeakPolarHBondContact OD2-CB 2.9Å; A43-H45 PolarHBondContact O-N 2.92Å; A43-K110 PolarHBondContact O-NZ 3.37Å |
| 44 | N | 85.1 | Confident | 89.9 | Confident | 95 Ų | 95 | 60 Ų | 60 | 51% | 0.508 | 32% | 0.322 | S | S | . | . | trans | -75.9 | 50.7 | 180 | -78.8 | -70.7 | 0 | 0 | 0 | 113.7 | D41 P42 N46 T47 F48 | D41-N44 PolarHBondContact O-N 2.86Å; D41-N44 PolarHBondContact OD2-ND2 3.34Å; P42-N44 PolarHBondContact O-N 3.01Å; N44-N46 VanDerWaalsContact C-N 3.29Å; N44-N46 PolarHBondContact O-N 2.92Å; N44-N46 VanDerWaalsContact O-N 3.08Å; N44-T47 PolarHBondContact O-N 3.41Å; N44-F48 WeakPolarHBondContact O-CB 3.14Å; N44-F48 PolarHBondContact O-N 2.83Å; N44-F48 VanDerWaalsContact O-N 3.1Å | ||
| 45 | H | 83.5 | Confident | 89.8 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 19% | 0.185 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -48.3 | -39.9 | -171.2 | 70.5 | 108.5 | 0 | 0 | 0 | 115.3 | A43 T47 F48 A109 K110 | A43-H45 PolarHBondContact O-N 2.92Å; H45-T47 VanDerWaalsContact C-N 3.28Å; H45-T47 PolarHBondContact O-N 3.18Å; H45-F48 PolarHBondContact O-N 2.82Å; H45-A109 PolarHBondContact ND1-O 2.78Å; H45-K110 HydrophobicContact CB-CD 4.28Å |
| 46 | N | 82.1 | Confident | 89.6 | Confident | 101 Ų | 101 | 64.1 Ų | 64.1 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.4 | -34.6 | -176.5 | -72.6 | -40.7 | 0 | 0 | 0 | 114.2 | N44 | N44-N46 VanDerWaalsContact C-N 3.29Å; N44-N46 PolarHBondContact O-N 2.92Å; N44-N46 VanDerWaalsContact O-N 3.08Å |
| 47 | T | 88.3 | Confident | 89.3 | Confident | 81 Ų | 81 | 58.1 Ų | 58.1 | 50% | 0.497 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -110.5 | -19.2 | -179.1 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | N44 H45 Y49 S50 S51 | N44-T47 PolarHBondContact O-N 3.41Å; H45-T47 VanDerWaalsContact C-N 3.28Å; H45-T47 PolarHBondContact O-N 3.18Å; T47-Y49 PolarHBondContact O-N 3.18Å; T47-S50 WeakPolarHBondContact O-CB 3.46Å; T47-S50 PolarHBondContact O-N 3.27Å; T47-S51 PolarHBondContact O-N 3.45Å; T47-S51 PolarHBondContact O-OG 2.95Å |
| 48 | F | 93.1 | Very high | 89 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 1% | 0.013 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -48.1 | -53.7 | -171.4 | -177.9 | -93.7 | 0 | 0 | 0 | 114.4 | F31 L40 D41 P42 N44 H45 S50 S51 L52 | F31-F48 HydrophobicContact CE1-CZ 4.18Å; F31-F48 HydrophobicContact CE2-CZ 4.32Å; F31-F48 AromaticContact CZ-CE1 3.75Å; F31-F48 HydrophobicContact CZ-CE1 3.75Å; F31-F48 AromaticContact CZ-CZ 3.5Å; F31-F48 HydrophobicContact CZ-CZ 3.5Å; L40-F48 HydrophobicContact CB-CD2 4.41Å; L40-F48 HydrophobicContact CB-CE2 3.95Å; D41-F48 WeakPolarHBondContact O-CD2 3.3Å; P42-F48 HydrophobicContact CB-CE2 4.29Å; P42-F48 HydrophobicContact CG-CE2 4.01Å; P42-F48 HydrophobicContact CG-CZ 4.41Å; N44-F48 WeakPolarHBondContact O-CB 3.14Å; N44-F48 PolarHBondContact O-N 2.83Å; N44-F48 VanDerWaalsContact O-N 3.1Å; H45-F48 PolarHBondContact O-N 2.82Å; F48-S50 PolarHBondContact O-N 3.09Å; F48-S51 PolarHBondContact O-N 2.86Å; F48-L52 HydrophobicContact CE1-CB 4.41Å; F48-L52 HydrophobicContact CE1-CD2 3.85Å; F48-L52 HydrophobicContact CZ-CD2 4.22Å; F48-L52 VanDerWaalsContact O-CB 3.28Å; F48-L52 WeakPolarHBondContact O-CB 3.24Å; F48-L52 PolarHBondContact O-N 3.31Å |
| 49 | Y | 92.8 | Very high | 88.5 | Confident | 24 Ų | 24 | 62.2 Ų | 62.2 | 9% | 0.094 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.4 | -44.6 | -179.5 | 170.3 | -105.8 | 0 | 0 | 0 | 112.1 | T47 L52 K53 W65 L68 D69 I72 I171 | T47-Y49 PolarHBondContact O-N 3.18Å; Y49-L52 PolarHBondContact O-N 3.01Å; Y49-K53 HydrophobicContact CE1-CD 4.16Å; Y49-K53 WeakPolarHBondContact O-CB 3.32Å; Y49-K53 PolarHBondContact O-N 3.48Å; Y49-W65 HydrophobicContact CE2-CE3 4.25Å; Y49-W65 HydrophobicContact CE2-CZ3 4.46Å; Y49-L68 HydrophobicContact CE2-CB 4.32Å; Y49-L68 HydrophobicContact CE2-CD1 3.99Å; Y49-D69 PolarHBondContact OH-OD1 3.18Å; Y49-I72 HydrophobicContact CD1-CD1 3.96Å; Y49-I72 HydrophobicContact CE1-CD1 3.51Å; Y49-I171 HydrophobicContact CD2-CG2 4.05Å; Y49-I171 HydrophobicContact CE2-CG2 4.13Å |
| 50 | S | 92.1 | Very high | 87.9 | Confident | 75 Ų | 75 | 58.8 Ų | 58.8 | 52% | 0.524 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 179.3 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | T47 F48 A54 | T47-S50 WeakPolarHBondContact O-CB 3.46Å; T47-S50 PolarHBondContact O-N 3.27Å; F48-S50 PolarHBondContact O-N 3.09Å; S50-A54 VanDerWaalsContact O-CB 3.31Å; S50-A54 WeakPolarHBondContact O-CB 3.25Å; S50-A54 PolarHBondContact O-N 3.47Å |
| 51 | S | 93.4 | Very high | 87.7 | Confident | 43 Ų | 43 | 57.6 Ų | 57.6 | 30% | 0.301 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.3 | -39 | 177.8 | -60 | 0 | 0 | 0 | 0 | 112.6 | T47 F48 A54 K55 | T47-S51 PolarHBondContact O-N 3.45Å; T47-S51 PolarHBondContact O-OG 2.95Å; F48-S51 PolarHBondContact O-N 2.86Å; S51-A54 PolarHBondContact O-N 3.43Å; S51-K55 WeakPolarHBondContact O-CB 3.39Å; S51-K55 WeakPolarHBondContact O-CG 3.42Å; S51-K55 PolarHBondContact O-N 2.92Å |
| 52 | L | 93.2 | Very high | 87.9 | Confident | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62 | -48.8 | 173.4 | 179.6 | 65.2 | 0 | 0 | 0 | 111.1 | L34 L38 L40 F48 Y49 A54 K55 V56 I171 | L34-L52 HydrophobicContact CD2-CD1 4.36Å; L38-L52 HydrophobicContact CD1-CD1 3.84Å; L40-L52 HydrophobicContact CD1-CB 4.02Å; L40-L52 HydrophobicContact CD1-CD1 3.86Å; F48-L52 HydrophobicContact CE1-CB 4.41Å; F48-L52 HydrophobicContact CE1-CD2 3.85Å; F48-L52 HydrophobicContact CZ-CD2 4.22Å; F48-L52 VanDerWaalsContact O-CB 3.28Å; F48-L52 WeakPolarHBondContact O-CB 3.24Å; F48-L52 PolarHBondContact O-N 3.31Å; Y49-L52 PolarHBondContact O-N 3.01Å; L52-A54 VanDerWaalsContact C-N 3.32Å; L52-A54 PolarHBondContact O-N 3.46Å; L52-K55 PolarHBondContact O-N 2.96Å; L52-V56 HydrophobicContact CD1-CG2 3.83Å; L52-V56 WeakPolarHBondContact O-CB 3.29Å; L52-V56 WeakPolarHBondContact O-CG2 3.17Å; L52-V56 PolarHBondContact O-N 3.44Å; L52-I171 HydrophobicContact CD2-CG1 4.39Å |
| 53 | K | 93.3 | Very high | 88.2 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 30% | 0.304 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 175.9 | 172.3 | -177.1 | 171 | -174.9 | 0 | 112.6 | Y49 W65 D69 | Y49-K53 HydrophobicContact CE1-CD 4.16Å; Y49-K53 WeakPolarHBondContact O-CB 3.32Å; Y49-K53 PolarHBondContact O-N 3.48Å; K53-W65 HydrophobicContact CD-CB 4.37Å; K53-W65 HydrophobicContact CG-CB 4.26Å; K53-W65 HydrophobicContact CG-CD2 4.39Å; K53-W65 HydrophobicContact CG-CG 3.93Å; K53-D69 VanDerWaalsContact CE-OD2 3.25Å; K53-D69 WeakPolarHBondContact CE-OD2 3.49Å; K53-D69 IonicContact NZ-OD1 2.77Å; K53-D69 PolarHBondContact NZ-OD1 3.03Å; K53-D69 IonicContact NZ-OD2 2.67Å; K53-D69 PolarHBondContact NZ-OD2 2.88Å |
| 54 | A | 92.3 | Very high | 88.8 | Confident | 70 Ų | 70 | 58 Ų | 58 | 58% | 0.579 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69.2 | -39.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S50 S51 L52 T57 | S50-A54 VanDerWaalsContact O-CB 3.31Å; S50-A54 WeakPolarHBondContact O-CB 3.25Å; S50-A54 PolarHBondContact O-N 3.47Å; S51-A54 PolarHBondContact O-N 3.43Å; L52-A54 VanDerWaalsContact C-N 3.32Å; L52-A54 PolarHBondContact O-N 3.46Å; A54-T57 VanDerWaalsContact O-CG2 3.29Å; A54-T57 WeakPolarHBondContact O-CG2 3.46Å |
| 55 | K | 91.1 | Very high | 89.3 | Confident | 89 Ų | 89 | 54 Ų | 54 | 39% | 0.387 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -79 | -30.1 | 178.8 | -66.9 | -177.2 | -177.8 | -177.8 | 0 | 113.2 | L38 D39 L40 S51 L52 T57 | L38-K55 HydrophobicContact CB-CD 4.17Å; L38-K55 HydrophobicContact CD1-CB 4.32Å; L38-K55 HydrophobicContact CD2-CB 4.02Å; L38-K55 VanDerWaalsContact O-CD 3.24Å; L38-K55 WeakPolarHBondContact O-CD 3.41Å; L38-K55 WeakPolarHBondContact O-CE 3.21Å; L38-K55 PolarHBondContact O-NZ 3.45Å; D39-K55 PolarHBondContact O-NZ 2.72Å; L40-K55 HydrophobicContact CD1-CD 4.26Å; L40-K55 HydrophobicContact CD2-CD 4Å; L40-K55 HydrophobicContact CG-CD 4.11Å; S51-K55 WeakPolarHBondContact O-CB 3.39Å; S51-K55 WeakPolarHBondContact O-CG 3.42Å; S51-K55 PolarHBondContact O-N 2.92Å; L52-K55 PolarHBondContact O-N 2.96Å; K55-T57 PolarHBondContact O-N 3.23Å |
| 56 | V | 90.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | trans | -100.4 | 83 | -179 | -175.3 | 0 | 0 | 0 | 0 | 111.3 | V11 F15 L38 L52 A61 W65 | V11-V56 HydrophobicContact CG1-CG2 4.1Å; F15-V56 HydrophobicContact CB-CG1 4.1Å; F15-V56 HydrophobicContact CD1-CG1 3.95Å; F15-V56 HydrophobicContact CD2-CG1 4.03Å; F15-V56 HydrophobicContact CE1-CG1 4.36Å; F15-V56 HydrophobicContact CE2-CG1 4.43Å; F15-V56 HydrophobicContact CG-CG1 3.76Å; L38-V56 HydrophobicContact CD1-CG2 3.52Å; L52-V56 HydrophobicContact CD1-CG2 3.83Å; L52-V56 WeakPolarHBondContact O-CB 3.29Å; L52-V56 WeakPolarHBondContact O-CG2 3.17Å; L52-V56 PolarHBondContact O-N 3.44Å; V56-A61 HydrophobicContact CG1-CB 3.86Å; V56-W65 HydrophobicContact CB-CZ2 4.02Å; V56-W65 HydrophobicContact CG1-CZ2 4.04Å; V56-W65 PolarHBondContact O-NE1 2.84Å | ||
| 57 | T | 87 | Confident | 90.4 | Very high | 72 Ų | 72 | 55.2 Ų | 55.2 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | trans | -91.4 | 4.2 | -171.9 | 60.8 | 0 | 0 | 0 | 0 | 115.2 | A54 K55 K62 | A54-T57 VanDerWaalsContact O-CG2 3.29Å; A54-T57 WeakPolarHBondContact O-CG2 3.46Å; K55-T57 PolarHBondContact O-N 3.23Å; T57-K62 WeakPolarHBondContact O-CE 3.49Å; T57-K62 PolarHBondContact O-NZ 2.75Å | ||
| 58 | S | 85.9 | Confident | 90.7 | Very high | 24 Ų | 24 | 51.4 Ų | 51.4 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | trans | -61.2 | 148.8 | -173.2 | 80.7 | 0 | 0 | 0 | 0 | 113.1 | K60 A61 K62 | S58-K60 PolarHBondContact O-N 2.98Å; S58-A61 WeakPolarHBondContact O-CB 3.22Å; S58-A61 PolarHBondContact O-N 2.81Å; S58-A61 WeakPolarHBondContact OG-CB 3.38Å; S58-A61 PolarHBondContact OG-N 3.36Å; S58-K62 PolarHBondContact O-N 2.69Å | ||
| 59 | W | 78.9 | Confident | 90.8 | Very high | 189 Ų | 189 | 53.3 Ų | 53.3 | 72% | 0.716 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.4 | -31.2 | -175.5 | 71.5 | -98.4 | 0 | 0 | 0 | 113.1 | ||
| 60 | K | 79.9 | Confident | 90.8 | Very high | 67 Ų | 67 | 57.9 Ų | 57.9 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 174.4 | -67.7 | 173 | -175.6 | 165.9 | 0 | 111.4 | E16 S58 | E16-K60 VanDerWaalsContact CD-CD 3.47Å; E16-K60 HydrophobicContact CG-CD 4.11Å; E16-K60 VanDerWaalsContact OE1-CD 3.27Å; E16-K60 WeakPolarHBondContact OE1-CD 3.29Å; E16-K60 WeakPolarHBondContact OE1-CE 3.24Å; E16-K60 IonicContact OE1-NZ 3.18Å; E16-K60 PolarHBondContact OE1-NZ 3.43Å; E16-K60 IonicContact OE2-NZ 2.75Å; E16-K60 PolarHBondContact OE2-NZ 2.95Å; S58-K60 PolarHBondContact O-N 2.98Å |
| 61 | A | 88.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.2 | -41.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F15 V56 S58 A63 L64 W65 | F15-A61 HydrophobicContact CD1-CB 3.95Å; F15-A61 HydrophobicContact CE1-CB 3.41Å; F15-A61 VanDerWaalsContact CE1-CB 3.41Å; F15-A61 HydrophobicContact CZ-CB 4.06Å; V56-A61 HydrophobicContact CG1-CB 3.86Å; S58-A61 WeakPolarHBondContact O-CB 3.22Å; S58-A61 PolarHBondContact O-N 2.81Å; S58-A61 WeakPolarHBondContact OG-CB 3.38Å; S58-A61 PolarHBondContact OG-N 3.36Å; A61-A63 PolarHBondContact O-N 3.28Å; A61-A63 VanDerWaalsContact O-N 3.1Å; A61-L64 WeakPolarHBondContact O-CA 3.39Å; A61-L64 WeakPolarHBondContact O-CB 3.28Å; A61-L64 PolarHBondContact O-N 2.83Å; A61-W65 HydrophobicContact CB-CZ2 3.87Å; A61-W65 PolarHBondContact O-N 2.91Å |
| 62 | K | 89.9 | Confident | 90.9 | Very high | 128 Ų | 128 | 54.9 Ų | 54.9 | 56% | 0.557 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -50.5 | -38.7 | 178.1 | -76.9 | 172.7 | 170.7 | 161.9 | 0 | 113.7 | T57 S58 L64 W65 S66 | T57-K62 WeakPolarHBondContact O-CE 3.49Å; T57-K62 PolarHBondContact O-NZ 2.75Å; S58-K62 PolarHBondContact O-N 2.69Å; K62-L64 VanDerWaalsContact C-N 3.29Å; K62-L64 PolarHBondContact O-N 3.29Å; K62-W65 PolarHBondContact O-N 2.91Å; K62-S66 PolarHBondContact O-N 2.93Å; K62-S66 VanDerWaalsContact O-N 3.07Å |
| 63 | A | 90.3 | Very high | 90.9 | Very high | 43 Ų | 43 | 58.8 Ų | 58.8 | 36% | 0.355 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -73.1 | -15.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A61 | A61-A63 PolarHBondContact O-N 3.28Å; A61-A63 VanDerWaalsContact O-N 3.1Å |
| 64 | L | 93.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -90 | -41.7 | 170 | 178.5 | 65.8 | 0 | 0 | 0 | 110.7 | F15 A61 K62 S66 K67 L68 F144 I171 | F15-L64 HydrophobicContact CZ-CD2 4.23Å; A61-L64 WeakPolarHBondContact O-CA 3.39Å; A61-L64 WeakPolarHBondContact O-CB 3.28Å; A61-L64 PolarHBondContact O-N 2.83Å; K62-L64 VanDerWaalsContact C-N 3.29Å; K62-L64 PolarHBondContact O-N 3.29Å; L64-S66 PolarHBondContact O-N 2.97Å; L64-K67 WeakPolarHBondContact O-CB 3.36Å; L64-K67 PolarHBondContact O-N 3.25Å; L64-L68 HydrophobicContact CD1-CD1 4.47Å; L64-L68 HydrophobicContact CD1-CG 4.49Å; L64-L68 HydrophobicContact CG-CD1 4.29Å; L64-L68 PolarHBondContact O-N 3.29Å; L64-L68 VanDerWaalsContact O-N 3.09Å; L64-F144 HydrophobicContact CD1-CE2 3.91Å; L64-F144 HydrophobicContact CD1-CZ 3.92Å; L64-F144 HydrophobicContact CD2-CE1 4.09Å; L64-F144 HydrophobicContact CD2-CE2 4.4Å; L64-F144 HydrophobicContact CD2-CZ 3.58Å; L64-F144 HydrophobicContact CG-CZ 4.41Å; L64-I171 HydrophobicContact CD2-CD1 3.7Å |
| 65 | W | 95 | Very high | 91 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.2 | -51.4 | 175.7 | -54.5 | 158.3 | 0 | 0 | 0 | 111.3 | F15 Y49 K53 V56 A61 K62 K67 L68 D69 I171 | F15-W65 AromaticContact CE2-CH2 3.7Å; F15-W65 HydrophobicContact CE2-CH2 3.7Å; F15-W65 HydrophobicContact CE2-CZ2 4.08Å; F15-W65 AromaticContact CZ-CH2 3.55Å; F15-W65 HydrophobicContact CZ-CH2 3.55Å; F15-W65 AromaticContact CZ-CZ2 3.83Å; F15-W65 HydrophobicContact CZ-CZ2 3.83Å; F15-W65 HydrophobicContact CZ-CZ3 4.38Å; Y49-W65 HydrophobicContact CE2-CE3 4.25Å; Y49-W65 HydrophobicContact CE2-CZ3 4.46Å; K53-W65 HydrophobicContact CD-CB 4.37Å; K53-W65 HydrophobicContact CG-CB 4.26Å; K53-W65 HydrophobicContact CG-CD2 4.39Å; K53-W65 HydrophobicContact CG-CG 3.93Å; V56-W65 HydrophobicContact CB-CZ2 4.02Å; V56-W65 HydrophobicContact CG1-CZ2 4.04Å; V56-W65 PolarHBondContact O-NE1 2.84Å; A61-W65 HydrophobicContact CB-CZ2 3.87Å; A61-W65 PolarHBondContact O-N 2.91Å; K62-W65 PolarHBondContact O-N 2.91Å; W65-K67 PolarHBondContact O-N 2.87Å; W65-L68 HydrophobicContact CE3-CD1 4.39Å; W65-L68 HydrophobicContact CZ3-CD1 4.44Å; W65-L68 PolarHBondContact O-N 3.27Å; W65-L68 VanDerWaalsContact O-N 3.13Å; W65-D69 VanDerWaalsContact O-CB 3.24Å; W65-D69 WeakPolarHBondContact O-CB 3.35Å; W65-D69 PolarHBondContact O-N 2.81Å; W65-I171 HydrophobicContact CH2-CD1 4.34Å; W65-I171 HydrophobicContact CH2-CG2 4.37Å; W65-I171 HydrophobicContact CZ3-CD1 4.13Å; W65-I171 HydrophobicContact CZ3-CG1 4.49Å; W65-I171 HydrophobicContact CZ3-CG2 3.71Å |
| 66 | S | 94.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 59.1 Ų | 59.1 | 56% | 0.559 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -53.9 | -29.9 | 175.7 | 169.7 | 0 | 0 | 0 | 0 | 114.2 | K62 L64 K70 | K62-S66 PolarHBondContact O-N 2.93Å; K62-S66 VanDerWaalsContact O-N 3.07Å; L64-S66 PolarHBondContact O-N 2.97Å; S66-K70 WeakPolarHBondContact O-CB 3.47Å; S66-K70 PolarHBondContact O-N 3.25Å; S66-K70 VanDerWaalsContact O-N 3.15Å |
| 67 | K | 94.8 | Very high | 91.2 | Very high | 87 Ų | 87 | 59.1 Ų | 59.1 | 38% | 0.378 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -77.4 | -46.1 | 178 | -84.7 | -179.1 | 167.6 | -69.3 | 0 | 113 | L64 W65 K70 R71 R137 G138 | L64-K67 WeakPolarHBondContact O-CB 3.36Å; L64-K67 PolarHBondContact O-N 3.25Å; W65-K67 PolarHBondContact O-N 2.87Å; K67-K70 PolarHBondContact O-N 2.66Å; K67-R71 PolarHBondContact O-N 3.17Å; K67-R137 WeakPolarHBondContact CE-O 3.47Å; K67-R137 PolarHBondContact NZ-O 2.85Å; K67-G138 WeakPolarHBondContact CB-O 3.38Å |
| 68 | L | 94.5 | Very high | 91.5 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -68.9 | -41.6 | 176.7 | -62.5 | 176.8 | 0 | 0 | 0 | 110.6 | Y49 L64 W65 K70 R71 I72 L139 V168 I171 V172 | Y49-L68 HydrophobicContact CE2-CB 4.32Å; Y49-L68 HydrophobicContact CE2-CD1 3.99Å; L64-L68 HydrophobicContact CD1-CD1 4.47Å; L64-L68 HydrophobicContact CD1-CG 4.49Å; L64-L68 HydrophobicContact CG-CD1 4.29Å; L64-L68 PolarHBondContact O-N 3.29Å; L64-L68 VanDerWaalsContact O-N 3.09Å; W65-L68 HydrophobicContact CE3-CD1 4.39Å; W65-L68 HydrophobicContact CZ3-CD1 4.44Å; W65-L68 PolarHBondContact O-N 3.27Å; W65-L68 VanDerWaalsContact O-N 3.13Å; L68-K70 PolarHBondContact O-N 2.8Å; L68-R71 WeakPolarHBondContact O-CB 3.38Å; L68-R71 PolarHBondContact O-N 3.46Å; L68-I72 WeakPolarHBondContact O-CG1 3.49Å; L68-I72 PolarHBondContact O-N 3.26Å; L68-L139 HydrophobicContact CD2-CD2 4.16Å; L68-V168 HydrophobicContact CD2-CG1 4.18Å; L68-I171 HydrophobicContact CD1-CG2 3.61Å; L68-V172 HydrophobicContact CD1-CG1 4.45Å |
| 69 | D | 94.6 | Very high | 91.6 | Very high | 44 Ų | 44 | 67.6 Ų | 67.6 | 24% | 0.235 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.5 | -45.3 | 173.3 | -65.7 | -24.4 | 0 | 0 | 0 | 112.2 | Y49 K53 W65 R71 I72 S73 | Y49-D69 PolarHBondContact OH-OD1 3.18Å; K53-D69 VanDerWaalsContact CE-OD2 3.25Å; K53-D69 WeakPolarHBondContact CE-OD2 3.49Å; K53-D69 IonicContact NZ-OD1 2.77Å; K53-D69 PolarHBondContact NZ-OD1 3.03Å; K53-D69 IonicContact NZ-OD2 2.67Å; K53-D69 PolarHBondContact NZ-OD2 2.88Å; W65-D69 VanDerWaalsContact O-CB 3.24Å; W65-D69 WeakPolarHBondContact O-CB 3.35Å; W65-D69 PolarHBondContact O-N 2.81Å; D69-R71 VanDerWaalsContact C-N 3.27Å; D69-R71 PolarHBondContact O-N 2.62Å; D69-I72 PolarHBondContact O-N 3.36Å; D69-S73 WeakPolarHBondContact O-CB 2.93Å; D69-S73 PolarHBondContact O-N 2.97Å |
| 70 | K | 94.2 | Very high | 92 | Very high | 119 Ų | 119 | 59.2 Ų | 59.2 | 52% | 0.517 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.1 | -45.6 | 174.3 | -178.8 | -178.5 | 174.4 | -172.9 | 0 | 110.1 | S66 K67 L68 S73 H74 | S66-K70 WeakPolarHBondContact O-CB 3.47Å; S66-K70 PolarHBondContact O-N 3.25Å; S66-K70 VanDerWaalsContact O-N 3.15Å; K67-K70 PolarHBondContact O-N 2.66Å; L68-K70 PolarHBondContact O-N 2.8Å; K70-S73 PolarHBondContact O-N 2.97Å; K70-S73 PolarHBondContact O-OG 3.04Å; K70-H74 PolarHBondContact O-CD2 3.03Å |
| 71 | R | 93.8 | Very high | 92.6 | Very high | 25 Ų | 25 | 62.2 Ų | 62.2 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -48 | 179.8 | -166 | 174.1 | -170.9 | 105.3 | 11 | 112.2 | K67 L68 D69 S73 H74 Y77 E103 L106 D135 | K67-R71 PolarHBondContact O-N 3.17Å; L68-R71 WeakPolarHBondContact O-CB 3.38Å; L68-R71 PolarHBondContact O-N 3.46Å; D69-R71 VanDerWaalsContact C-N 3.27Å; D69-R71 PolarHBondContact O-N 2.62Å; R71-S73 PolarHBondContact O-N 3.09Å; R71-H74 PolarHBondContact O-N 2.83Å; R71-H74 VanDerWaalsContact O-N 3.13Å; R71-Y77 HydrophobicContact CG-CE2 4.17Å; R71-Y77 PolarHBondContact NE-OH 3.21Å; R71-Y77 VanDerWaalsContact NE-OH 3.1Å; R71-Y77 WeakPolarHBondContact O-CD2 3.5Å; R71-Y77 WeakPolarHBondContact O-CE2 3.5Å; R71-E103 IonicContact CZ-OE1 3.07Å; R71-E103 IonicContact CZ-OE2 3.66Å; R71-E103 IonicContact NE-OE1 3.45Å; R71-E103 PolarHBondContact NE-OE1 3.12Å; R71-E103 IonicContact NE-OE2 3.26Å; R71-E103 VanDerWaalsContact NH2-CD 3.26Å; R71-E103 IonicContact NH2-OE1 2.72Å; R71-E103 PolarHBondContact NH2-OE1 3.19Å; R71-E103 IonicContact NH2-OE2 2.84Å; R71-E103 PolarHBondContact NH2-OE2 2.75Å; R71-L106 HydrophobicContact CG-CD1 4.27Å; R71-D135 IonicContact CZ-OD1 3.63Å; R71-D135 IonicContact NH1-OD1 3.6Å; R71-D135 PolarHBondContact NH1-OD1 3.15Å; R71-D135 IonicContact NH2-OD1 3.61Å; R71-D135 PolarHBondContact NH2-OD1 2.99Å |
| 72 | I | 92.3 | Very high | 92.8 | Very high | 30 Ų | 30 | 62.6 Ų | 62.6 | 15% | 0.154 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -31.3 | 177.1 | -62.4 | 164.9 | 0 | 0 | 0 | 111.6 | Y49 L68 D69 H74 L106 | Y49-I72 HydrophobicContact CD1-CD1 3.96Å; Y49-I72 HydrophobicContact CE1-CD1 3.51Å; L68-I72 WeakPolarHBondContact O-CG1 3.49Å; L68-I72 PolarHBondContact O-N 3.26Å; D69-I72 PolarHBondContact O-N 3.36Å; I72-H74 VanDerWaalsContact C-N 3.28Å; I72-H74 PolarHBondContact O-N 3.07Å; I72-L106 HydrophobicContact CD1-CD2 3.9Å; I72-L106 HydrophobicContact CG1-CD2 3.42Å; I72-L106 VanDerWaalsContact CG1-CD2 3.42Å |
| 73 | S | 93.6 | Very high | 93.1 | Very high | 83 Ų | 83 | 56.5 Ų | 56.5 | 58% | 0.58 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | -8.8 | 179.3 | 75.4 | 0 | 0 | 0 | 0 | 115.4 | D69 K70 R71 | D69-S73 WeakPolarHBondContact O-CB 2.93Å; D69-S73 PolarHBondContact O-N 2.97Å; K70-S73 PolarHBondContact O-N 2.97Å; K70-S73 PolarHBondContact O-OG 3.04Å; R71-S73 PolarHBondContact O-N 3.09Å |
| 74 | H | 93.9 | Very high | 93.2 | Very high | 45 Ų | 45 | 57.9 Ų | 57.9 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -65.3 | 146.1 | 174 | -60.7 | -167 | 0 | 0 | 0 | 110.1 | K70 R71 I72 E76 Y77 T463 | K70-H74 PolarHBondContact O-CD2 3.03Å; R71-H74 PolarHBondContact O-N 2.83Å; R71-H74 VanDerWaalsContact O-N 3.13Å; I72-H74 VanDerWaalsContact C-N 3.28Å; I72-H74 PolarHBondContact O-N 3.07Å; H74-E76 PolarHBondContact O-N 3.23Å; H74-E76 VanDerWaalsContact O-N 3.1Å; H74-Y77 HydrophobicContact CB-CD2 3.85Å; H74-Y77 HydrophobicContact CB-CE2 3.79Å; H74-Y77 PolarHBondContact O-N 3.15Å; H74-T463 WeakPolarHBondContact ND1-CG2 3.48Å |
| 75 | K | 94.2 | Very high | 93 | Very high | 171 Ų | 171 | 60.7 Ų | 60.7 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -49.5 | -39 | -176.6 | 165.1 | -170.8 | 168.4 | -160.7 | 0 | 113.2 | Y77 K78 | K75-Y77 PolarHBondContact O-N 2.67Å; K75-K78 PolarHBondContact O-N 3.47Å |
| 76 | E | 93.3 | Very high | 93.1 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 10% | 0.098 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -68.5 | -33.1 | -167.7 | -64.7 | 61.9 | -124.7 | 0 | 0 | 112.8 | H74 K78 W422 K425 I464 D465 | H74-E76 PolarHBondContact O-N 3.23Å; H74-E76 VanDerWaalsContact O-N 3.1Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 2.78Å; E76-W422 HydrophobicContact CG-CZ3 4.05Å; E76-K425 WeakPolarHBondContact O-CD 3.49Å; E76-K425 VanDerWaalsContact O-CE 3.23Å; E76-K425 WeakPolarHBondContact O-CE 3.43Å; E76-I464 HydrophobicContact CB-CD1 3.92Å; E76-I464 HydrophobicContact CB-CG1 3.67Å; E76-I464 HydrophobicContact CG-CG1 4.14Å; E76-D465 HydrophobicContact CG-CB 4.19Å |
| 77 | Y | 93.5 | Very high | 93.2 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -79.8 | -8.9 | 178.9 | -49.4 | -90.6 | 0 | 0 | 0 | 113.3 | R71 H74 K75 K79 G80 Q81 A82 E103 L106 M107 | R71-Y77 HydrophobicContact CG-CE2 4.17Å; R71-Y77 PolarHBondContact NE-OH 3.21Å; R71-Y77 VanDerWaalsContact NE-OH 3.1Å; R71-Y77 WeakPolarHBondContact O-CD2 3.5Å; R71-Y77 WeakPolarHBondContact O-CE2 3.5Å; H74-Y77 HydrophobicContact CB-CD2 3.85Å; H74-Y77 HydrophobicContact CB-CE2 3.79Å; H74-Y77 PolarHBondContact O-N 3.15Å; K75-Y77 PolarHBondContact O-N 2.67Å; Y77-K79 PolarHBondContact O-N 3.1Å; Y77-G80 WeakPolarHBondContact O-CA 3.45Å; Y77-G80 PolarHBondContact O-N 3.06Å; Y77-Q81 PolarHBondContact O-N 3.36Å; Y77-Q81 VanDerWaalsContact O-N 3.15Å; Y77-A82 WeakPolarHBondContact O-CB 3.3Å; Y77-A82 PolarHBondContact O-N 3.36Å; Y77-E103 PolarHBondContact OH-OE2 3.05Å; Y77-L106 HydrophobicContact CD1-CB 3.83Å; Y77-L106 HydrophobicContact CE1-CB 3.87Å; Y77-L106 HydrophobicContact CE1-CD1 4.45Å; Y77-M107 HydrophobicContact CD1-CG 3.55Å; Y77-M107 HydrophobicContact CE1-CG 4.28Å; Y77-M107 HydrophobicContact CG-CG 4.39Å |
| 78 | K | 91.8 | Very high | 93.4 | Very high | 96 Ų | 96 | 56.1 Ų | 56.1 | 42% | 0.417 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 39.4 | -175.5 | -57.6 | 177.2 | -171.3 | 163.6 | 0 | 113.2 | K75 E76 G80 Q81 A82 E429 | K75-K78 PolarHBondContact O-N 3.47Å; E76-K78 VanDerWaalsContact C-N 3.3Å; E76-K78 PolarHBondContact O-N 2.78Å; K78-G80 VanDerWaalsContact C-N 3.34Å; K78-G80 PolarHBondContact O-N 3.24Å; K78-Q81 HydrophobicContact CB-CB 4.39Å; K78-Q81 WeakPolarHBondContact O-CB 3.5Å; K78-Q81 PolarHBondContact O-N 2.95Å; K78-A82 HydrophobicContact CB-CB 4.2Å; K78-A82 HydrophobicContact CD-CB 4.17Å; K78-A82 HydrophobicContact CG-CB 4.14Å; K78-E429 WeakPolarHBondContact CE-OE1 3.02Å; K78-E429 IonicContact NZ-OE1 2.84Å; K78-E429 PolarHBondContact NZ-OE1 3.1Å |
| 79 | K | 88.9 | Confident | 93.6 | Very high | 177 Ų | 177 | 56.1 Ų | 56.1 | 77% | 0.77 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 34.4 | -171.8 | -53.1 | 179.3 | -179 | 175.7 | 0 | 114.6 | Y77 | Y77-K79 PolarHBondContact O-N 3.1Š|
| 80 | G | 87.9 | Confident | 93.7 | Very high | 14 Ų | 14 | 54 Ų | 54 | 14% | 0.144 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 27.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y77 K78 L106 M107 G108 | Y77-G80 WeakPolarHBondContact O-CA 3.45Å; Y77-G80 PolarHBondContact O-N 3.06Å; K78-G80 VanDerWaalsContact C-N 3.34Å; K78-G80 PolarHBondContact O-N 3.24Å; G80-L106 WeakPolarHBondContact CA-O 3.38Å; G80-M107 CarbonylContact C-O 3.45Å; G80-G108 WeakPolarHBondContact O-CA 3.27Å |
| 81 | Q | 91.8 | Very high | 93.9 | Very high | 130 Ų | 130 | 48.8 Ų | 48.8 | 61% | 0.607 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | 17.2 | 179.2 | -56.8 | -70.3 | -82.8 | 0 | 0 | 112.1 | Y77 K78 | Y77-Q81 PolarHBondContact O-N 3.36Å; Y77-Q81 VanDerWaalsContact O-N 3.15Å; K78-Q81 HydrophobicContact CB-CB 4.39Å; K78-Q81 WeakPolarHBondContact O-CB 3.5Å; K78-Q81 PolarHBondContact O-N 2.95Å |
| 82 | A | 92.9 | Very high | 94 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -87.3 | -24.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y77 K78 M107 A428 | Y77-A82 WeakPolarHBondContact O-CB 3.3Å; Y77-A82 PolarHBondContact O-N 3.36Å; K78-A82 HydrophobicContact CB-CB 4.2Å; K78-A82 HydrophobicContact CD-CB 4.17Å; K78-A82 HydrophobicContact CG-CB 4.14Å; A82-M107 HydrophobicContact CB-CB 4.15Å; A82-M107 HydrophobicContact CB-CG 4.36Å; A82-M107 PolarHBondContact N-O 3.28Å; A82-A428 WeakPolarHBondContact O-CB 3.47Å |
| 83 | C | 94.9 | Very high | 94.1 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -138 | 30.6 | -178.9 | -57 | 0 | 0 | 0 | 0 | 112.5 | T86 M107 A109 A428 | C83-T86 WeakPolarHBondContact O-CB 3.47Å; C83-T86 PolarHBondContact O-N 3.02Å; C83-T86 PolarHBondContact O-OG1 2.94Å; C83-M107 HydrophobicContact CB-CB 4.03Å; C83-M107 PolarHBondContact N-O 3.18Å; C83-A109 HydrophobicContact CB-CB 4.04Å; C83-A109 VanDerWaalsContact O-CA 3.31Å; C83-A109 WeakPolarHBondContact O-CA 3.38Å; C83-A109 PolarHBondContact O-N 2.89Å; C83-A428 HydrophobicContact CB-CB 4.22Å |
| 84 | V | 92.6 | Very high | 94.2 | Very high | 71 Ų | 71 | 43 Ų | 43 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | 135.6 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 109.8 | T86 | V84-T86 VanDerWaalsContact C-N 3.3Š|
| 85 | G | 91.1 | Very high | 94.4 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 63% | 0.629 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | -25.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | K87 | G85-K87 PolarHBondContact O-N 3.14Š|
| 86 | T | 95.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 34.1 Ų | 34.1 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | trans | -70.7 | 126.1 | 177.4 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | C83 V84 A109 K110 V217 V424 | C83-T86 WeakPolarHBondContact O-CB 3.47Å; C83-T86 PolarHBondContact O-N 3.02Å; C83-T86 PolarHBondContact O-OG1 2.94Å; V84-T86 VanDerWaalsContact C-N 3.3Å; T86-A109 WeakPolarHBondContact O-CA 3.48Å; T86-A109 WeakPolarHBondContact O-CB 3.34Å; T86-K110 PolarHBondContact O-N 2.99Å; T86-V217 HydrophobicContact CG2-CG2 3.63Å; T86-V424 HydrophobicContact CG2-CG1 4.43Å | ||
| 87 | K | 97.2 | Very high | 94.7 | Very high | 69 Ų | 69 | 33.1 Ų | 33.1 | 30% | 0.3 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 124.8 | 175.1 | -59.6 | 178.1 | -163.6 | 165.1 | 0 | 109.8 | G85 F213 E214 F215 D216 V217 | G85-K87 PolarHBondContact O-N 3.14Å; K87-F213 HydrophobicContact CB-CZ 4.07Å; K87-E214 WeakPolarHBondContact CB-O 3.37Å; K87-E214 HydrophobicContact CD-CB 4.41Å; K87-E214 WeakPolarHBondContact CD-O 3.29Å; K87-E214 IonicContact NZ-OE2 3.55Å; K87-E214 PolarHBondContact NZ-OE2 2.85Å; K87-F215 HydrophobicContact CB-CB 4.33Å; K87-F215 WeakPolarHBondContact O-CB 3.46Å; K87-D216 PolarHBondContact N-OD2 2.89Å; K87-D216 PolarHBondContact O-N 3.31Å; K87-V217 PolarHBondContact O-N 3.36Å; K87-V217 VanDerWaalsContact O-N 3.16Å |
| 88 | C | 98.1 | Very high | 95 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 122.1 | -172.1 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | L104 K110 V111 V112 V217 | C88-L104 HydrophobicContact CB-CD1 3.97Å; C88-K110 PolarHBondContact N-O 3.22Å; C88-V111 HydrophobicContact CB-CG2 4.4Å; C88-V112 PolarHBondContact O-N 2.61Å; C88-V217 WeakPolarHBondContact CA-O 2.98Å; C88-V217 HydrophobicContact CB-CB 4.4Å |
| 89 | L | 98.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.6 | 168.7 | -178.9 | 65.5 | 0 | 0 | 0 | 111.1 | V112 I114 A201 F213 F215 V217 V218 V219 | L89-V112 CarbonylContact C-O 3.58Å; L89-V112 WeakPolarHBondContact CA-O 3.28Å; L89-V112 HydrophobicContact CD1-CB 4.32Å; L89-V112 HydrophobicContact CD1-CG1 4.21Å; L89-I114 HydrophobicContact CD1-CD1 4.13Å; L89-I114 HydrophobicContact CD1-CG1 4.12Å; L89-I114 HydrophobicContact CD1-CG2 4.23Å; L89-I114 HydrophobicContact CD2-CD1 4.33Å; L89-A201 HydrophobicContact CD2-CB 3.69Å; L89-F213 HydrophobicContact CB-CE1 4.44Å; L89-F215 HydrophobicContact CB-CB 4.18Å; L89-F215 HydrophobicContact CB-CD1 3.71Å; L89-F215 HydrophobicContact CB-CD2 4.06Å; L89-F215 HydrophobicContact CB-CE1 4.11Å; L89-F215 HydrophobicContact CB-CE2 4.44Å; L89-F215 HydrophobicContact CB-CG 3.69Å; L89-F215 HydrophobicContact CB-CZ 4.46Å; L89-F215 HydrophobicContact CD2-CD1 3.92Å; L89-F215 HydrophobicContact CD2-CE1 3.45Å; L89-F215 VanDerWaalsContact CD2-CE1 3.45Å; L89-F215 HydrophobicContact CD2-CE2 4.33Å; L89-F215 HydrophobicContact CD2-CZ 3.68Å; L89-F215 HydrophobicContact CG-CD1 4.4Å; L89-F215 HydrophobicContact CG-CE1 4.38Å; L89-V217 PolarHBondContact N-O 3.11Å; L89-V218 HydrophobicContact CB-CG2 4.28Å; L89-V218 HydrophobicContact CD2-CG2 4.3Å; L89-V218 HydrophobicContact CG-CG2 4.4Å; L89-V218 CarbonylContact O-C 3.56Å; L89-V218 VanDerWaalsContact O-CA 3.29Å; L89-V218 WeakPolarHBondContact O-CA 3.36Å; L89-V219 PolarHBondContact O-N 3.27Å |
| 90 | I | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.7 | 176 | -59.2 | 176.4 | 0 | 0 | 0 | 109.4 | T100 A101 L104 V111 V112 V113 I114 V219 A221 | I90-T100 HydrophobicContact CD1-CG2 4.46Å; I90-A101 HydrophobicContact CD1-CB 3.54Å; I90-L104 HydrophobicContact CD1-CD1 4.27Å; I90-V111 HydrophobicContact CD1-CG1 3.69Å; I90-V111 HydrophobicContact CG1-CG1 4.33Å; I90-V112 PolarHBondContact N-O 3.19Å; I90-V113 HydrophobicContact CB-CG2 4.12Å; I90-V113 HydrophobicContact CD1-CG2 4.39Å; I90-V113 HydrophobicContact CG2-CG1 4.48Å; I90-V113 WeakPolarHBondContact O-CA 3.5Å; I90-I114 PolarHBondContact O-N 3.08Å; I90-V219 HydrophobicContact CG1-CB 4.22Å; I90-V219 HydrophobicContact CG1-CG2 4.46Å; I90-A221 HydrophobicContact CG2-CB 4.49Å |
| 91 | I | 97.3 | Very high | 96.2 | Very high | 9 Ų | 9 | 19.4 Ų | 19.4 | 5% | 0.046 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 108.6 | -178.5 | -52.2 | 165.6 | 0 | 0 | 0 | 108.1 | I114 F182 V218 V219 A221 D222 L228 | I91-I114 HydrophobicContact CG1-CD1 4.41Å; I91-F182 HydrophobicContact CD1-CB 4.4Å; I91-F182 HydrophobicContact CD1-CD1 3.86Å; I91-F182 HydrophobicContact CD1-CD2 3.6Å; I91-F182 HydrophobicContact CD1-CE1 3.93Å; I91-F182 HydrophobicContact CD1-CE2 3.67Å; I91-F182 HydrophobicContact CD1-CG 3.69Å; I91-F182 HydrophobicContact CD1-CZ 3.82Å; I91-F182 HydrophobicContact CG1-CB 4.38Å; I91-F182 HydrophobicContact CG1-CD2 3.99Å; I91-F182 HydrophobicContact CG1-CE2 4.44Å; I91-F182 HydrophobicContact CG1-CG 4.12Å; I91-F182 HydrophobicContact CG2-CB 3.74Å; I91-F182 HydrophobicContact CG2-CG 4.18Å; I91-V218 HydrophobicContact CD1-CG2 3.82Å; I91-V218 HydrophobicContact CG1-CG2 4.22Å; I91-V219 PolarHBondContact N-O 3.22Å; I91-A221 CarbonylContact O-C 3.43Å; I91-A221 VanDerWaalsContact O-CA 3.27Å; I91-A221 WeakPolarHBondContact O-CA 3.36Å; I91-A221 PolarHBondContact O-N 2.88Å; I91-D222 HydrophobicContact CG2-CB 4.33Å; I91-D222 PolarHBondContact O-N 3.29Å; I91-D222 VanDerWaalsContact O-N 3.15Å; I91-L228 HydrophobicContact CD1-CD1 4.23Å; I91-L228 HydrophobicContact CD1-CD2 3.7Å; I91-L228 HydrophobicContact CD1-CG 3.93Å |
| 92 | G | 95.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 13.2 Ų | 13.2 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | trans | 108.4 | 118 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G94 I114 | G92-G94 PolarHBondContact O-N 2.76Å; G92-G94 VanDerWaalsContact O-N 3.16Å; G92-I114 WeakPolarHBondContact CA-O 3.22Å; G92-I114 PolarHBondContact N-O 2.92Å | ||
| 93 | G | 95.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 9% | 0.088 | C | C | . | . | trans | -81.4 | 23.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | L98 E115 Q162 | G93-L98 VanDerWaalsContact O-CD1 3.24Å; G93-L98 WeakPolarHBondContact O-CD1 3.49Å; G93-E115 WeakPolarHBondContact CA-OE2 3.32Å; G93-E115 PolarHBondContact N-OE2 3.44Å; G93-Q162 PolarHBondContact O-NE2 2.89Å | ||
| 94 | G | 95.7 | Very high | 96.9 | Very high | 9 Ų | 9 | 12.8 Ų | 12.8 | 9% | 0.093 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -67.5 | 168 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | G92 C96 G97 L98 | G92-G94 PolarHBondContact O-N 2.76Å; G92-G94 VanDerWaalsContact O-N 3.16Å; G94-C96 VanDerWaalsContact C-N 3.29Å; G94-C96 PolarHBondContact O-N 3.42Å; G94-G97 PolarHBondContact O-N 3.33Å; G94-G97 VanDerWaalsContact O-N 3.14Å; G94-L98 PolarHBondContact O-N 2.9Å |
| 95 | P | 97.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 10.2 Ų | 10.2 | 10% | 0.097 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -52.2 | -45.4 | -179.5 | -28.3 | 36 | 0 | 0 | 0 | 113.2 | R99 I158 L161 Q162 L165 F414 | P95-R99 WeakPolarHBondContact O-CB 3.49Å; P95-R99 PolarHBondContact O-N 2.87Å; P95-I158 HydrophobicContact CG-CG2 4.36Å; P95-L161 HydrophobicContact CB-CD2 3.74Å; P95-L161 HydrophobicContact CB-CG 4.06Å; P95-L161 HydrophobicContact CG-CD2 4.07Å; P95-L161 HydrophobicContact CG-CG 4.32Å; P95-Q162 HydrophobicContact CG-CG 3.83Å; P95-L165 HydrophobicContact CB-CD1 4.11Å; P95-L165 WeakPolarHBondContact O-CD1 3.28Å; P95-F414 HydrophobicContact CB-CE1 4.45Å |
| 96 | C | 97.4 | Very high | 97.4 | Very high | 15 Ų | 15 | 7.6 Ų | 7.6 | 10% | 0.101 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -71.9 | -33.8 | -177.6 | -45.3 | 0 | 0 | 0 | 0 | 112.8 | G94 T100 V395 | G94-C96 VanDerWaalsContact C-N 3.29Å; G94-C96 PolarHBondContact O-N 3.42Å; C96-T100 PolarHBondContact O-N 3.48Å; C96-T100 PolarHBondContact O-OG1 2.87Å; C96-V395 HydrophobicContact CB-CG1 3.97Å |
| 97 | G | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -67.6 | -53.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | G94 R99 T100 A101 A221 | G94-G97 PolarHBondContact O-N 3.33Å; G94-G97 VanDerWaalsContact O-N 3.14Å; G97-R99 VanDerWaalsContact C-N 3.26Å; G97-R99 PolarHBondContact O-N 2.93Å; G97-T100 WeakPolarHBondContact O-CB 3.39Å; G97-T100 PolarHBondContact O-N 3.06Å; G97-T100 VanDerWaalsContact O-N 3.12Å; G97-A101 PolarHBondContact O-N 3.49Å; G97-A221 VanDerWaalsContact CA-CB 3.46Å |
| 98 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -57.7 | -38.4 | 172.5 | -72.3 | 169.6 | 0 | 0 | 0 | 112.1 | G93 G94 T100 A101 I102 F120 Q162 L165 L166 A169 F176 | G93-L98 VanDerWaalsContact O-CD1 3.24Å; G93-L98 WeakPolarHBondContact O-CD1 3.49Å; G94-L98 PolarHBondContact O-N 2.9Å; L98-T100 VanDerWaalsContact C-N 3.34Å; L98-T100 PolarHBondContact O-N 3.05Å; L98-A101 WeakPolarHBondContact O-CB 3.36Å; L98-A101 PolarHBondContact O-N 2.61Å; L98-I102 WeakPolarHBondContact O-CD1 3.47Å; L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.26Å; L98-I102 PolarHBondContact O-N 3.35Å; L98-I102 VanDerWaalsContact O-N 3.09Å; L98-F120 HydrophobicContact CD1-CZ 4.38Å; L98-Q162 HydrophobicContact CD1-CB 4.44Å; L98-L165 HydrophobicContact CB-CB 3.77Å; L98-L165 HydrophobicContact CB-CD1 4.49Å; L98-L165 HydrophobicContact CD1-CB 4.05Å; L98-L166 HydrophobicContact CD1-CB 4.3Å; L98-L166 HydrophobicContact CD2-CD1 4.44Å; L98-A169 HydrophobicContact CD2-CB 4.21Å; L98-F176 HydrophobicContact CD2-CD2 3.81Å; L98-F176 HydrophobicContact CD2-CE2 3.61Å; L98-F176 HydrophobicContact CG-CE2 4.42Å |
| 99 | R | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -64.1 | -39 | 176.9 | -168.7 | 71.4 | -160.3 | 77.7 | -6.3 | 112.1 | P95 G97 E103 D135 F414 A417 | P95-R99 WeakPolarHBondContact O-CB 3.49Å; P95-R99 PolarHBondContact O-N 2.87Å; G97-R99 VanDerWaalsContact C-N 3.26Å; G97-R99 PolarHBondContact O-N 2.93Å; R99-E103 IonicContact CZ-OE1 2.72Å; R99-E103 IonicContact NH1-OE1 3.63Å; R99-E103 PolarHBondContact NH1-OE1 3.48Å; R99-E103 IonicContact NH2-OE1 2.71Å; R99-E103 PolarHBondContact NH2-OE1 2.93Å; R99-D135 IonicContact CZ-OD1 3.53Å; R99-D135 IonicContact CZ-OD2 3.88Å; R99-D135 VanDerWaalsContact CZ-OD2 3.3Å; R99-D135 IonicContact NE-OD2 3.96Å; R99-D135 PolarHBondContact NE-OD2 2.84Å; R99-D135 VanDerWaalsContact NH2-CG 3.33Å; R99-D135 IonicContact NH2-OD1 2.9Å; R99-D135 PolarHBondContact NH2-OD1 3.35Å; R99-D135 IonicContact NH2-OD2 3.71Å; R99-D135 PolarHBondContact NH2-OD2 2.75Å; R99-F414 HydrophobicContact CB-CD1 4.05Å; R99-F414 HydrophobicContact CB-CE1 3.86Å; R99-F414 HydrophobicContact CB-CZ 4.3Å; R99-F414 HydrophobicContact CG-CD1 3.74Å; R99-F414 HydrophobicContact CG-CD2 3.96Å; R99-F414 HydrophobicContact CG-CE1 3.82Å; R99-F414 HydrophobicContact CG-CE2 4.05Å; R99-F414 HydrophobicContact CG-CG 3.82Å; R99-F414 HydrophobicContact CG-CZ 3.99Å; R99-A417 HydrophobicContact CB-CB 4.44Å; R99-A417 HydrophobicContact CG-CB 4.27Å |
| 100 | T | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -67.6 | -44 | 173.6 | -51.3 | 0 | 0 | 0 | 0 | 110.8 | I90 C96 G97 L98 I102 E103 L104 V219 A417 T420 | I90-T100 HydrophobicContact CD1-CG2 4.46Å; C96-T100 PolarHBondContact O-N 3.48Å; C96-T100 PolarHBondContact O-OG1 2.87Å; G97-T100 WeakPolarHBondContact O-CB 3.39Å; G97-T100 PolarHBondContact O-N 3.06Å; G97-T100 VanDerWaalsContact O-N 3.12Å; L98-T100 VanDerWaalsContact C-N 3.34Å; L98-T100 PolarHBondContact O-N 3.05Å; T100-I102 VanDerWaalsContact C-N 3.28Å; T100-I102 PolarHBondContact O-N 3.39Å; T100-E103 PolarHBondContact O-N 3.17Å; T100-E103 VanDerWaalsContact O-N 3.08Å; T100-L104 HydrophobicContact CG2-CD1 4.2Å; T100-L104 HydrophobicContact CG2-CG 4.24Å; T100-L104 WeakPolarHBondContact O-CG 3.23Å; T100-L104 PolarHBondContact O-N 2.93Å; T100-V219 HydrophobicContact CG2-CG1 4.47Å; T100-A417 VanDerWaalsContact OG1-CB 3.25Å; T100-A417 WeakPolarHBondContact OG1-CB 3.32Å; T100-T420 HydrophobicContact CG2-CG2 4.43Å |
| 101 | A | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -55 | -43.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I90 G97 L98 L104 A105 V111 V113 V174 | I90-A101 HydrophobicContact CD1-CB 3.54Å; G97-A101 PolarHBondContact O-N 3.49Å; L98-A101 WeakPolarHBondContact O-CB 3.36Å; L98-A101 PolarHBondContact O-N 2.61Å; A101-L104 PolarHBondContact O-N 3.16Å; A101-A105 WeakPolarHBondContact O-CB 3.41Å; A101-A105 PolarHBondContact O-N 2.94Å; A101-V111 HydrophobicContact CB-CG1 3.92Å; A101-V113 HydrophobicContact CB-CG2 3.71Å; A101-V174 HydrophobicContact CB-CG1 3.99Å; A101-V174 HydrophobicContact CB-CG2 4.04Å |
| 102 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -60.4 | -47.4 | 176.3 | -67.7 | 160.6 | 0 | 0 | 0 | 111.2 | L98 T100 A105 L106 L139 L165 V168 A169 | L98-I102 WeakPolarHBondContact O-CD1 3.47Å; L98-I102 VanDerWaalsContact O-CG1 3.32Å; L98-I102 WeakPolarHBondContact O-CG1 3.26Å; L98-I102 PolarHBondContact O-N 3.35Å; L98-I102 VanDerWaalsContact O-N 3.09Å; T100-I102 VanDerWaalsContact C-N 3.28Å; T100-I102 PolarHBondContact O-N 3.39Å; I102-A105 PolarHBondContact O-N 3.03Å; I102-L106 HydrophobicContact CG2-CD1 3.64Å; I102-L106 HydrophobicContact CG2-CG 4.29Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 WeakPolarHBondContact O-CD1 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.49Å; I102-L106 PolarHBondContact O-N 3.3Å; I102-L139 HydrophobicContact CD1-CD1 4.31Å; I102-L139 HydrophobicContact CG2-CD1 4.43Å; I102-L139 HydrophobicContact CG2-CD2 4.19Å; I102-L165 HydrophobicContact CD1-CB 4.27Å; I102-L165 HydrophobicContact CD1-CD2 3.75Å; I102-V168 HydrophobicContact CD1-CB 3.87Å; I102-V168 HydrophobicContact CD1-CG1 3.74Å; I102-V168 HydrophobicContact CG1-CB 4.43Å; I102-V168 HydrophobicContact CG1-CG1 3.98Å; I102-V168 HydrophobicContact CG2-CG1 4.02Å; I102-A169 HydrophobicContact CG1-CB 4.02Å |
| 103 | E | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66.5 | -40.3 | -179.5 | -58.7 | -60.5 | 111.8 | 0 | 0 | 112.3 | R71 Y77 R99 T100 L106 M107 F418 A421 I464 | R71-E103 IonicContact CZ-OE1 3.07Å; R71-E103 IonicContact CZ-OE2 3.66Å; R71-E103 IonicContact NE-OE1 3.45Å; R71-E103 PolarHBondContact NE-OE1 3.12Å; R71-E103 IonicContact NE-OE2 3.26Å; R71-E103 VanDerWaalsContact NH2-CD 3.26Å; R71-E103 IonicContact NH2-OE1 2.72Å; R71-E103 PolarHBondContact NH2-OE1 3.19Å; R71-E103 IonicContact NH2-OE2 2.84Å; R71-E103 PolarHBondContact NH2-OE2 2.75Å; Y77-E103 PolarHBondContact OH-OE2 3.05Å; R99-E103 IonicContact CZ-OE1 2.72Å; R99-E103 IonicContact NH1-OE1 3.63Å; R99-E103 PolarHBondContact NH1-OE1 3.48Å; R99-E103 IonicContact NH2-OE1 2.71Å; R99-E103 PolarHBondContact NH2-OE1 2.93Å; T100-E103 PolarHBondContact O-N 3.17Å; T100-E103 VanDerWaalsContact O-N 3.08Å; E103-L106 PolarHBondContact O-N 2.94Å; E103-M107 WeakPolarHBondContact O-CG 3.39Å; E103-M107 PolarHBondContact O-N 2.92Å; E103-F418 HydrophobicContact CG-CD1 3.97Å; E103-F418 HydrophobicContact CG-CE1 4.07Å; E103-A421 HydrophobicContact CB-CB 3.7Å; E103-A421 HydrophobicContact CG-CB 4.44Å; E103-I464 HydrophobicContact CB-CG2 4.47Å; E103-I464 HydrophobicContact CG-CG2 4.38Å; E103-I464 VanDerWaalsContact OE2-CG2 3.25Å; E103-I464 WeakPolarHBondContact OE2-CG2 3.44Å |
| 104 | L | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.9 Ų | 4.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 178.2 | -61.7 | -172.4 | 0 | 0 | 0 | 111.8 | C88 I90 T100 A101 M107 G108 A109 V111 A421 V424 | C88-L104 HydrophobicContact CB-CD1 3.97Å; I90-L104 HydrophobicContact CD1-CD1 4.27Å; T100-L104 HydrophobicContact CG2-CD1 4.2Å; T100-L104 HydrophobicContact CG2-CG 4.24Å; T100-L104 WeakPolarHBondContact O-CG 3.23Å; T100-L104 PolarHBondContact O-N 2.93Å; A101-L104 PolarHBondContact O-N 3.16Å; L104-M107 HydrophobicContact CD2-CE 3.52Å; L104-M107 PolarHBondContact O-N 3.07Å; L104-G108 PolarHBondContact O-N 3.2Å; L104-A109 HydrophobicContact CB-CB 4.41Å; L104-A109 WeakPolarHBondContact O-CB 3.49Å; L104-A109 PolarHBondContact O-N 3.37Å; L104-V111 HydrophobicContact CB-CG2 3.63Å; L104-A421 HydrophobicContact CD2-CB 4.22Å; L104-V424 HydrophobicContact CD2-CB 3.85Å; L104-V424 HydrophobicContact CD2-CG1 3.9Å; L104-V424 HydrophobicContact CD2-CG2 4.06Å |
| 105 | A | 96.9 | Very high | 97.3 | Very high | 16 Ų | 16 | 5.3 Ų | 5.3 | 13% | 0.132 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -66.3 | -40.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | A101 I102 M107 G108 V111 V172 V174 | A101-A105 WeakPolarHBondContact O-CB 3.41Å; A101-A105 PolarHBondContact O-N 2.94Å; I102-A105 PolarHBondContact O-N 3.03Å; A105-M107 PolarHBondContact O-N 2.91Å; A105-G108 PolarHBondContact O-N 3.25Å; A105-V111 HydrophobicContact CB-CG2 4.06Å; A105-V172 HydrophobicContact CB-CB 4.48Å; A105-V172 HydrophobicContact CB-CG2 3.78Å; A105-V174 HydrophobicContact CB-CG2 3.74Å |
| 106 | L | 95.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 10.3 Ų | 10.3 | 4% | 0.037 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -63.1 | -21.2 | 175 | -70.5 | 168 | 0 | 0 | 0 | 113.4 | R71 I72 Y77 G80 I102 E103 V172 | R71-L106 HydrophobicContact CG-CD1 4.27Å; I72-L106 HydrophobicContact CD1-CD2 3.9Å; I72-L106 HydrophobicContact CG1-CD2 3.42Å; I72-L106 VanDerWaalsContact CG1-CD2 3.42Å; Y77-L106 HydrophobicContact CD1-CB 3.83Å; Y77-L106 HydrophobicContact CE1-CB 3.87Å; Y77-L106 HydrophobicContact CE1-CD1 4.45Å; G80-L106 WeakPolarHBondContact CA-O 3.38Å; I102-L106 HydrophobicContact CG2-CD1 3.64Å; I102-L106 HydrophobicContact CG2-CG 4.29Å; I102-L106 WeakPolarHBondContact O-CB 3.32Å; I102-L106 WeakPolarHBondContact O-CD1 3.3Å; I102-L106 WeakPolarHBondContact O-CG 3.49Å; I102-L106 PolarHBondContact O-N 3.3Å; E103-L106 PolarHBondContact O-N 2.94Å; L106-V172 HydrophobicContact CD2-CG1 4.08Å |
| 107 | M | 95.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.066 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -9.3 | 172.3 | -69.1 | -171.6 | -61.4 | 0 | 0 | 114.1 | Y77 G80 A82 C83 E103 L104 A105 A421 K425 I464 | Y77-M107 HydrophobicContact CD1-CG 3.55Å; Y77-M107 HydrophobicContact CE1-CG 4.28Å; Y77-M107 HydrophobicContact CG-CG 4.39Å; G80-M107 CarbonylContact C-O 3.45Å; A82-M107 HydrophobicContact CB-CB 4.15Å; A82-M107 HydrophobicContact CB-CG 4.36Å; A82-M107 PolarHBondContact N-O 3.28Å; C83-M107 HydrophobicContact CB-CB 4.03Å; C83-M107 PolarHBondContact N-O 3.18Å; E103-M107 WeakPolarHBondContact O-CG 3.39Å; E103-M107 PolarHBondContact O-N 2.92Å; L104-M107 HydrophobicContact CD2-CE 3.52Å; L104-M107 PolarHBondContact O-N 3.07Å; A105-M107 PolarHBondContact O-N 2.91Å; M107-A421 HydrophobicContact CE-CB 3.96Å; M107-A421 WeakPolarHBondContact CE-O 3.43Å; M107-K425 HydrophobicContact SD-CB 3.87Å; M107-I464 HydrophobicContact CG-CD1 4.39Å; M107-I464 HydrophobicContact SD-CD1 3.46Å; M107-I464 WeakPolarHBondContact SD-CD1 3.34Å |
| 108 | G | 94.5 | Very high | 96.5 | Very high | 8 Ų | 8 | 17.1 Ų | 17.1 | 8% | 0.082 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 101.1 | 6.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | G80 L104 A105 | G80-G108 WeakPolarHBondContact O-CA 3.27Å; L104-G108 PolarHBondContact O-N 3.2Å; A105-G108 PolarHBondContact O-N 3.25Å |
| 109 | A | 96.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.017 | 10% | 0.095 | C | C | . | . | trans | -71.7 | 152.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H45 C83 T86 L104 V111 | H45-A109 PolarHBondContact ND1-O 2.78Å; C83-A109 HydrophobicContact CB-CB 4.04Å; C83-A109 VanDerWaalsContact O-CA 3.31Å; C83-A109 WeakPolarHBondContact O-CA 3.38Å; C83-A109 PolarHBondContact O-N 2.89Å; T86-A109 WeakPolarHBondContact O-CA 3.48Å; T86-A109 WeakPolarHBondContact O-CB 3.34Å; L104-A109 HydrophobicContact CB-CB 4.41Å; L104-A109 WeakPolarHBondContact O-CB 3.49Å; L104-A109 PolarHBondContact O-N 3.37Å; A109-V111 HydrophobicContact CB-CG2 4.24Å; A109-V111 PolarHBondContact O-N 3.47Å | ||
| 110 | K | 96.9 | Very high | 96 | Very high | 28 Ų | 28 | 19.8 Ų | 19.8 | 12% | 0.122 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 114.4 | 164.5 | 175 | 65.4 | -177 | -177.1 | 0 | 107.9 | A43 H45 T86 C88 E175 F213 | A43-K110 PolarHBondContact O-NZ 3.37Å; H45-K110 HydrophobicContact CB-CD 4.28Å; T86-K110 PolarHBondContact O-N 2.99Å; C88-K110 PolarHBondContact N-O 3.22Å; K110-E175 WeakPolarHBondContact CE-OE2 3.25Å; K110-E175 IonicContact NZ-OE2 3.77Å; K110-E175 PolarHBondContact NZ-OE2 2.94Å; K110-F213 HydrophobicContact CG-CE2 4.03Å; K110-F213 HydrophobicContact CG-CZ 4.14Å |
| 111 | V | 98.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124.4 | -177 | -172 | 0 | 0 | 0 | 0 | 111.1 | C88 I90 A101 L104 A105 A109 V113 V174 E175 | C88-V111 HydrophobicContact CB-CG2 4.4Å; I90-V111 HydrophobicContact CD1-CG1 3.69Å; I90-V111 HydrophobicContact CG1-CG1 4.33Å; A101-V111 HydrophobicContact CB-CG1 3.92Å; L104-V111 HydrophobicContact CB-CG2 3.63Å; A105-V111 HydrophobicContact CB-CG2 4.06Å; A109-V111 HydrophobicContact CB-CG2 4.24Å; A109-V111 PolarHBondContact O-N 3.47Å; V111-V113 HydrophobicContact CG1-CG2 4.36Å; V111-V174 HydrophobicContact CB-CG1 4.41Å; V111-V174 HydrophobicContact CB-CG2 4.31Å; V111-V174 HydrophobicContact CG1-CG1 4.09Å; V111-V174 HydrophobicContact CG1-CG2 4.43Å; V111-E175 PolarHBondContact O-N 2.68Å |
| 112 | V | 97.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 129.5 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 108.8 | C88 L89 I90 E175 V210 F213 | C88-V112 PolarHBondContact O-N 2.61Å; L89-V112 CarbonylContact C-O 3.58Å; L89-V112 WeakPolarHBondContact CA-O 3.28Å; L89-V112 HydrophobicContact CD1-CB 4.32Å; L89-V112 HydrophobicContact CD1-CG1 4.21Å; I90-V112 PolarHBondContact N-O 3.19Å; V112-E175 CarbonylContact C-O 3.6Å; V112-E175 WeakPolarHBondContact CA-O 3.33Å; V112-E175 HydrophobicContact CG2-CB 4.18Å; V112-V210 HydrophobicContact CG1-CG1 4.19Å; V112-V210 HydrophobicContact CG1-CG2 4.15Å; V112-F213 HydrophobicContact CB-CD1 4.07Å; V112-F213 HydrophobicContact CB-CE1 3.78Å; V112-F213 HydrophobicContact CB-CZ 4.2Å; V112-F213 HydrophobicContact CG2-CD1 3.86Å; V112-F213 HydrophobicContact CG2-CD2 4.06Å; V112-F213 HydrophobicContact CG2-CE1 3.52Å; V112-F213 HydrophobicContact CG2-CE2 3.74Å; V112-F213 HydrophobicContact CG2-CG 4.13Å; V112-F213 HydrophobicContact CG2-CZ 3.46Å; V112-F213 VanDerWaalsContact CG2-CZ 3.46Å |
| 113 | V | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 130.2 | 176.2 | -176.4 | 0 | 0 | 0 | 0 | 108.9 | I90 A101 V111 V174 E175 F176 H177 | I90-V113 HydrophobicContact CB-CG2 4.12Å; I90-V113 HydrophobicContact CD1-CG2 4.39Å; I90-V113 HydrophobicContact CG2-CG1 4.48Å; I90-V113 WeakPolarHBondContact O-CA 3.5Å; A101-V113 HydrophobicContact CB-CG2 3.71Å; V111-V113 HydrophobicContact CG1-CG2 4.36Å; V113-V174 HydrophobicContact CB-CG1 4.46Å; V113-V174 HydrophobicContact CG2-CG1 3.49Å; V113-V174 VanDerWaalsContact CG2-CG1 3.49Å; V113-E175 PolarHBondContact N-O 3.19Å; V113-F176 HydrophobicContact CB-CD2 3.71Å; V113-F176 HydrophobicContact CB-CE2 4.25Å; V113-F176 HydrophobicContact CG1-CD2 3.67Å; V113-F176 HydrophobicContact CG1-CE2 3.67Å; V113-F176 HydrophobicContact CG2-CD2 4.4Å; V113-H177 PolarHBondContact O-N 3.32Å |
| 114 | I | 96.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 130 | 172.9 | 55.8 | 177.8 | 0 | 0 | 0 | 110.6 | L89 I90 I91 G92 H177 V180 F182 I203 V210 | L89-I114 HydrophobicContact CD1-CD1 4.13Å; L89-I114 HydrophobicContact CD1-CG1 4.12Å; L89-I114 HydrophobicContact CD1-CG2 4.23Å; L89-I114 HydrophobicContact CD2-CD1 4.33Å; I90-I114 PolarHBondContact O-N 3.08Å; I91-I114 HydrophobicContact CG1-CD1 4.41Å; G92-I114 WeakPolarHBondContact CA-O 3.22Å; G92-I114 PolarHBondContact N-O 2.92Å; I114-H177 HydrophobicContact CG2-CB 4.36Å; I114-V180 HydrophobicContact CB-CB 4.18Å; I114-V180 HydrophobicContact CB-CG1 4.07Å; I114-V180 HydrophobicContact CG2-CB 4.23Å; I114-V180 HydrophobicContact CG2-CG1 3.87Å; I114-F182 HydrophobicContact CD1-CB 3.88Å; I114-F182 HydrophobicContact CD1-CD2 4.19Å; I114-I203 HydrophobicContact CD1-CG2 4.18Å; I114-V210 HydrophobicContact CG2-CG1 3.91Å |
| 115 | E | 95.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 28.3 Ų | 28.3 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 126.4 | 176.4 | 173.2 | 53 | -109.4 | 0 | 0 | 109.8 | G93 R117 F176 H177 I178 S179 V180 | G93-E115 WeakPolarHBondContact CA-OE2 3.32Å; G93-E115 PolarHBondContact N-OE2 3.44Å; E115-R117 HydrophobicContact CG-CB 4.11Å; E115-R117 PolarHBondContact O-N 2.89Å; E115-R117 WeakPolarHBondContact OE1-CB 3.41Å; E115-R117 WeakPolarHBondContact OE1-CG 3.44Å; E115-R117 PolarHBondContact OE1-N 2.77Å; E115-F176 HydrophobicContact CB-CZ 4.05Å; E115-H177 PolarHBondContact N-O 3.37Å; E115-I178 CarbonylContact O-C 3.57Å; E115-I178 WeakPolarHBondContact O-CA 3.47Å; E115-S179 PolarHBondContact O-N 3.3Å; E115-V180 CarbonylContact C-O 3.55Å; E115-V180 VanDerWaalsContact C-O 3.25Å; E115-V180 PolarHBondContact O-N 2.91Å |
| 116 | K | 94.1 | Very high | 94 | Very high | 120 Ų | 120 | 29.5 Ų | 29.5 | 52% | 0.522 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -65 | -29.6 | 179.4 | 173.9 | 168.3 | -175.2 | 168.6 | 0 | 112.1 | S179 V180 E181 | K116-S179 WeakPolarHBondContact O-CA 3.45Å; K116-V180 WeakPolarHBondContact CA-O 3.38Å; K116-V180 PolarHBondContact N-O 3.47Å; K116-E181 HydrophobicContact CB-CB 4.28Å; K116-E181 HydrophobicContact CD-CB 3.94Å; K116-E181 HydrophobicContact CD-CG 4.05Å; K116-E181 WeakPolarHBondContact CD-OE1 3.38Å; K116-E181 WeakPolarHBondContact CE-OE1 3.39Å; K116-E181 HydrophobicContact CG-CB 4Å; K116-E181 IonicContact NZ-OE1 3.2Å; K116-E181 PolarHBondContact NZ-OE1 3.27Å; K116-E181 IonicContact NZ-OE2 3.22Å; K116-E181 PolarHBondContact NZ-OE2 2.9Å |
| 117 | R | 92.3 | Very high | 93.9 | Very high | 98 Ų | 98 | 31 Ų | 31 | 37% | 0.37 | 15% | 0.148 | S | C | . | . | trans | -82.1 | 157 | 179.6 | -59.5 | 173 | -168 | -124.7 | -1.3 | 111.4 | E115 I178 S179 | E115-R117 HydrophobicContact CG-CB 4.11Å; E115-R117 PolarHBondContact O-N 2.89Å; E115-R117 WeakPolarHBondContact OE1-CB 3.41Å; E115-R117 WeakPolarHBondContact OE1-CG 3.44Å; E115-R117 PolarHBondContact OE1-N 2.77Å; R117-I178 WeakPolarHBondContact O-CB 3.3Å; R117-S179 PolarHBondContact O-N 3.42Å; R117-S179 VanDerWaalsContact O-N 3.07Å | ||
| 118 | D | 90.3 | Very high | 93.8 | Very high | 59 Ų | 59 | 31 Ų | 31 | 32% | 0.316 | 15% | 0.148 | S | C | . | . | S | Bend | trans | -94.1 | -6.2 | 173.2 | 80.8 | -36 | 0 | 0 | 0 | 112.7 | K25 S179 | K25-D118 WeakPolarHBondContact CE-O 3.48Å; K25-D118 VanDerWaalsContact CE-OD2 3.28Å; K25-D118 WeakPolarHBondContact CE-OD2 3.3Å; K25-D118 WeakPolarHBondContact CG-O 3.46Å; K25-D118 IonicContact NZ-OD2 2.73Å; K25-D118 PolarHBondContact NZ-OD2 3.4Å; D118-S179 WeakPolarHBondContact CB-OG 3.28Å |
| 119 | S | 92 | Very high | 93.8 | Very high | 44 Ų | 44 | 30.9 Ų | 30.9 | 31% | 0.308 | 15% | 0.145 | S | C | . | . | S | Bend | trans | -158.2 | 153.6 | -163.2 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | ||
| 120 | F | 93.5 | Very high | 93.8 | Very high | 13 Ų | 13 | 33.5 Ų | 33.5 | 6% | 0.057 | 16% | 0.162 | C | C | . | . | trans | -100.2 | 115.9 | 171.4 | -57.4 | -28.5 | 0 | 0 | 0 | 109 | C24 L98 Q159 Q162 L163 L166 F176 | C24-F120 HydrophobicContact CB-CD1 4.36Å; C24-F120 HydrophobicContact CB-CD2 3.95Å; C24-F120 HydrophobicContact CB-CE1 4.47Å; C24-F120 HydrophobicContact CB-CE2 4.07Å; C24-F120 HydrophobicContact CB-CG 4.11Å; C24-F120 HydrophobicContact CB-CZ 4.33Å; L98-F120 HydrophobicContact CD1-CZ 4.38Å; F120-Q159 HydrophobicContact CB-CG 4.04Å; F120-Q159 WeakPolarHBondContact O-CG 3.49Å; F120-Q159 PolarHBondContact O-NE2 3.48Å; F120-Q162 HydrophobicContact CB-CB 4.42Å; F120-Q162 HydrophobicContact CD1-CB 4.15Å; F120-Q162 VanDerWaalsContact CD1-NE2 3.32Å; F120-Q162 HydrophobicContact CD2-CB 3.5Å; F120-Q162 VanDerWaalsContact CD2-CB 3.5Å; F120-Q162 HydrophobicContact CE1-CB 4.25Å; F120-Q162 HydrophobicContact CE2-CB 3.62Å; F120-Q162 HydrophobicContact CG-CB 3.78Å; F120-Q162 HydrophobicContact CZ-CB 4Å; F120-L163 HydrophobicContact CD2-CD2 3.86Å; F120-L163 HydrophobicContact CD2-CG 4.05Å; F120-L163 HydrophobicContact CE2-CD2 4.29Å; F120-L166 HydrophobicContact CE2-CB 4.04Å; F120-L166 HydrophobicContact CE2-CD2 3.66Å; F120-L166 HydrophobicContact CE2-CG 4.46Å; F120-L166 HydrophobicContact CZ-CB 4.33Å; F120-L166 HydrophobicContact CZ-CD2 3.91Å; F120-F176 HydrophobicContact CE1-CZ 4.21Å; F120-F176 HydrophobicContact CZ-CE1 4.43Å; F120-F176 AromaticContact CZ-CZ 3.98Å; F120-F176 HydrophobicContact CZ-CZ 3.98Å | ||
| 121 | S | 89.1 | Confident | 93.7 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 14% | 0.14 | 16% | 0.157 | C | C | . | . | trans | -138.8 | 19.6 | -162.5 | 62 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 122 | R | 90.3 | Very high | 93.7 | Very high | 87 Ų | 87 | 32.2 Ų | 32.2 | 33% | 0.328 | 16% | 0.156 | S | C | . | . | trans | -102.9 | 110.5 | 176.4 | -69.1 | 178.9 | -70.3 | -176.7 | -1.6 | 109.8 | I158 Q159 | R122-I158 HydrophobicContact CB-CB 3.93Å; R122-I158 HydrophobicContact CB-CD1 4.08Å; R122-I158 HydrophobicContact CB-CG2 3.99Å; R122-Q159 WeakPolarHBondContact O-CB 3.47Å; R122-Q159 PolarHBondContact O-N 3.26Å | ||
| 123 | H | 89.4 | Confident | 93.6 | Very high | 41 Ų | 41 | 33 Ų | 33 | 19% | 0.19 | 16% | 0.161 | C | C | . | . | trans | -81.1 | -24.9 | 178.3 | -52.8 | 120.4 | 0 | 0 | 0 | 113.1 | S157 T295 M357 D364 | H123-S157 WeakPolarHBondContact O-CB 3.47Å; H123-T295 HydrophobicContact CB-CG2 4.37Å; H123-M357 PolarHBondContact CE1-O 2.85Å; H123-M357 VanDerWaalsContact CE1-O 3.28Å; H123-D364 IonicContact CE1-OD2 3.26Å; H123-D364 IonicContact CG-OD2 2.63Å; H123-D364 IonicContact ND1-OD2 3.86Å; H123-D364 PolarHBondContact ND1-OD2 3.1Å | ||
| 124 | N | 92.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 36.1 Ų | 36.1 | 12% | 0.123 | 18% | 0.175 | C | C | . | . | trans | -45.1 | 139 | -179.2 | -67.3 | 21.3 | 0 | 0 | 0 | 112.8 | I158 T245 N247 Y297 | N124-I158 HydrophobicContact CB-CD1 4.11Å; N124-I158 VanDerWaalsContact O-CG1 3.31Å; N124-I158 WeakPolarHBondContact O-CG1 3.23Å; N124-I158 PolarHBondContact O-N 3.01Å; N124-T245 WeakPolarHBondContact ND2-CB 3.46Å; N124-T245 PolarHBondContact ND2-OG1 3.03Å; N124-N247 PolarHBondContact OD1-ND2 2.98Å; N124-Y297 HydrophobicContact CB-CD2 4.22Å; N124-Y297 HydrophobicContact CB-CE2 3.54Å | ||
| 125 | V | 93.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 36.7 Ų | 36.7 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 132.9 | -170.7 | 176.6 | 0 | 0 | 0 | 0 | 111.6 | H155 Y291 D293 Y297 | V125-H155 HydrophobicContact CG1-CB 3.62Å; V125-Y291 HydrophobicContact CB-CD2 4.14Å; V125-Y291 HydrophobicContact CG1-CD2 3.73Å; V125-Y291 HydrophobicContact CG1-CG 4.07Å; V125-D293 HydrophobicContact CG2-CB 3.86Å; V125-Y297 HydrophobicContact CB-CD1 3.59Å; V125-Y297 HydrophobicContact CB-CE1 4.06Å; V125-Y297 HydrophobicContact CB-CG 3.81Å; V125-Y297 HydrophobicContact CG2-CD1 4.15Å; V125-Y297 HydrophobicContact CG2-CG 3.86Å |
| 126 | L | 93.1 | Very high | 93.5 | Very high | 42 Ų | 42 | 35.9 Ų | 35.9 | 22% | 0.22 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129 | 173.5 | -58.3 | 178.3 | 0 | 0 | 0 | 109.9 | H155 I156 I158 L161 C410 | L126-H155 CarbonylContact O-C 3.57Å; L126-H155 WeakPolarHBondContact O-CA 3.26Å; L126-H155 VanDerWaalsContact O-CB 3.28Å; L126-H155 WeakPolarHBondContact O-CB 3.21Å; L126-I156 PolarHBondContact N-O 3.31Å; L126-I156 PolarHBondContact O-N 3.39Å; L126-I158 HydrophobicContact CD1-CG1 3.84Å; L126-I158 HydrophobicContact CD2-CD1 4.19Å; L126-I158 HydrophobicContact CD2-CG1 3.86Å; L126-I158 HydrophobicContact CG-CD1 4.47Å; L126-I158 HydrophobicContact CG-CG1 3.61Å; L126-L161 HydrophobicContact CD1-CD2 3.92Å; L126-C410 HydrophobicContact CD1-CB 4.35Å |
| 127 | H | 92.5 | Very high | 93.6 | Very high | 37 Ų | 37 | 35.2 Ų | 35.2 | 17% | 0.171 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 146 | 161.8 | 173.3 | 73 | 0 | 0 | 0 | 110.9 | W129 D154 Y291 | H127-W129 AromaticContact CD2-CD1 3.78Å; H127-W129 AromaticContact NE2-CD1 3.68Å; H127-D154 IonicContact CE1-OD1 3.95Å; H127-D154 IonicContact CE1-OD2 3.55Å; H127-D154 PolarHBondContact CE1-OD2 3.19Å; H127-D154 IonicContact ND1-OD1 3.98Å; H127-D154 PolarHBondContact ND1-OD1 3.34Å; H127-D154 IonicContact ND1-OD2 3.9Å; H127-D154 PolarHBondContact ND1-OD2 2.9Å; H127-Y291 HydrophobicContact CB-CE2 4.41Å |
| 128 | L | 94.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | trans | -122.2 | 117.4 | -175.9 | -61.1 | 178.6 | 0 | 0 | 0 | 109.8 | T132 I133 L136 F148 D154 I156 C410 | L128-T132 WeakPolarHBondContact CA-OG1 3.26Å; L128-T132 WeakPolarHBondContact CB-OG1 3.47Å; L128-I133 HydrophobicContact CB-CD1 4.15Å; L128-I133 HydrophobicContact CB-CG1 3.6Å; L128-I133 HydrophobicContact CD1-CG1 4.19Å; L128-L136 HydrophobicContact CD1-CD1 4.25Å; L128-L136 HydrophobicContact CD2-CD1 4.45Å; L128-F148 HydrophobicContact CD1-CE2 3.74Å; L128-F148 HydrophobicContact CD1-CZ 3.99Å; L128-D154 WeakPolarHBondContact CA-O 3.39Å; L128-D154 VanDerWaalsContact CB-O 3.26Å; L128-D154 WeakPolarHBondContact CB-O 3.47Å; L128-D154 PolarHBondContact N-O 3.25Å; L128-I156 HydrophobicContact CD1-CB 4.19Å; L128-I156 HydrophobicContact CD1-CG2 3.75Å; L128-I156 HydrophobicContact CD2-CG2 3.97Å; L128-I156 HydrophobicContact CG-CG2 4.03Å; L128-C410 HydrophobicContact CD2-CB 3.99Å | ||
| 129 | W | 94.4 | Very high | 94.1 | Very high | 6 Ų | 6 | 29 Ų | 29 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | trans | -63 | 152 | 172.2 | -66.1 | 4 | 0 | 0 | 0 | 110.8 | H127 Y131 T132 I133 G407 T408 A411 T450 P452 I455 | H127-W129 AromaticContact CD2-CD1 3.78Å; H127-W129 AromaticContact NE2-CD1 3.68Å; W129-Y131 HydrophobicContact CB-CD1 4.15Å; W129-Y131 HydrophobicContact CB-CE1 4.39Å; W129-Y131 HydrophobicContact CE3-CD1 4.23Å; W129-Y131 AromaticContact CE3-CE1 3.96Å; W129-Y131 HydrophobicContact CE3-CE1 3.96Å; W129-Y131 PolarHBondContact O-N 2.97Å; W129-T132 PolarHBondContact N-OG1 3.01Å; W129-T132 VanDerWaalsContact N-OG1 3.14Å; W129-T132 WeakPolarHBondContact O-CA 3.4Å; W129-T132 PolarHBondContact O-N 2.75Å; W129-T132 PolarHBondContact O-OG1 2.85Å; W129-I133 PolarHBondContact O-N 3.3Å; W129-G407 PolarHBondContact NE1-O 3.22Å; W129-T408 HydrophobicContact CZ2-CG2 3.97Å; W129-A411 HydrophobicContact CB-CB 4.21Å; W129-A411 HydrophobicContact CD2-CB 3.24Å; W129-A411 HydrophobicContact CE3-CB 3.46Å; W129-A411 VanDerWaalsContact CE3-CB 3.46Å; W129-A411 HydrophobicContact CG-CB 3.63Å; W129-A411 HydrophobicContact CH2-CB 4.07Å; W129-A411 HydrophobicContact CZ2-CB 3.95Å; W129-A411 HydrophobicContact CZ3-CB 3.87Å; W129-T450 WeakPolarHBondContact CH2-O 3.46Å; W129-P452 HydrophobicContact CD2-CG 3.69Å; W129-P452 HydrophobicContact CE3-CG 4.08Å; W129-P452 HydrophobicContact CG-CG 3.92Å; W129-P452 HydrophobicContact CZ2-CG 4.41Å; W129-I455 HydrophobicContact CE3-CD1 3.87Å; W129-I455 HydrophobicContact CZ3-CD1 4.12Å | ||
| 130 | P | 94.9 | Very high | 94.2 | Very high | 56 Ų | 56 | 27 Ų | 27 | 36% | 0.364 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -50 | -38.1 | -175.7 | -31.6 | 36.6 | 0 | 0 | 0 | 115.2 | I133 H134 F459 | P130-I133 PolarHBondContact O-N 3.43Å; P130-H134 PolarHBondContact O-N 2.81Å; P130-F459 HydrophobicContact CB-CD2 4.49Å; P130-F459 HydrophobicContact CB-CE2 3.66Å; P130-F459 HydrophobicContact CB-CZ 4.02Å |
| 131 | Y | 96.1 | Very high | 94.3 | Very high | 3 Ų | 3 | 26.4 Ų | 26.4 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.5 | -35.4 | 176.9 | 98 | -97.9 | 0 | 0 | 0 | 112.6 | W129 H134 D135 A411 F414 L415 F418 I455 Y462 | W129-Y131 HydrophobicContact CB-CD1 4.15Å; W129-Y131 HydrophobicContact CB-CE1 4.39Å; W129-Y131 HydrophobicContact CE3-CD1 4.23Å; W129-Y131 AromaticContact CE3-CE1 3.96Å; W129-Y131 HydrophobicContact CE3-CE1 3.96Å; W129-Y131 PolarHBondContact O-N 2.97Å; Y131-H134 WeakPolarHBondContact O-CB 3.3Å; Y131-H134 PolarHBondContact O-N 2.8Å; Y131-D135 WeakPolarHBondContact O-CB 3.39Å; Y131-D135 PolarHBondContact O-N 2.88Å; Y131-A411 HydrophobicContact CE1-CB 4.04Å; Y131-A411 PolarHBondContact OH-O 3.09Å; Y131-F414 WeakPolarHBondContact OH-CB 3.29Å; Y131-L415 HydrophobicContact CE1-CG 4.45Å; Y131-F418 HydrophobicContact CE2-CE2 4.13Å; Y131-I455 HydrophobicContact CD1-CD1 3.57Å; Y131-I455 HydrophobicContact CE1-CD1 4.11Å; Y131-I455 HydrophobicContact CG-CD1 4.4Å; Y131-Y462 HydrophobicContact CD1-CE2 4.32Å; Y131-Y462 AromaticContact CD2-CD2 3.67Å; Y131-Y462 HydrophobicContact CD2-CD2 3.67Å; Y131-Y462 AromaticContact CD2-CE2 3.47Å; Y131-Y462 HydrophobicContact CD2-CE2 3.47Å; Y131-Y462 VanDerWaalsContact CD2-CE2 3.47Å; Y131-Y462 HydrophobicContact CE2-CD2 4.39Å; Y131-Y462 HydrophobicContact CE2-CE2 4.21Å; Y131-Y462 HydrophobicContact CG-CD2 4.19Å; Y131-Y462 AromaticContact CG-CE2 3.57Å; Y131-Y462 HydrophobicContact CG-CE2 3.57Å |
| 132 | T | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -70.1 | -36.2 | 176.6 | 62.1 | 0 | 0 | 0 | 0 | 111.4 | L128 W129 H134 D135 L136 A411 F414 | L128-T132 WeakPolarHBondContact CA-OG1 3.26Å; L128-T132 WeakPolarHBondContact CB-OG1 3.47Å; W129-T132 PolarHBondContact N-OG1 3.01Å; W129-T132 VanDerWaalsContact N-OG1 3.14Å; W129-T132 WeakPolarHBondContact O-CA 3.4Å; W129-T132 PolarHBondContact O-N 2.75Å; W129-T132 PolarHBondContact O-OG1 2.85Å; T132-H134 VanDerWaalsContact C-N 3.28Å; T132-H134 PolarHBondContact O-N 3.49Å; T132-D135 PolarHBondContact O-N 2.85Å; T132-L136 WeakPolarHBondContact O-CB 3.46Å; T132-L136 VanDerWaalsContact O-CG 3.28Å; T132-L136 WeakPolarHBondContact O-CG 3.47Å; T132-L136 PolarHBondContact O-N 3.18Å; T132-A411 HydrophobicContact CG2-CB 4.25Å; T132-F414 HydrophobicContact CG2-CD2 4.15Å |
| 133 | I | 96 | Very high | 94.6 | Very high | 17 Ų | 17 | 31.5 Ų | 31.5 | 9% | 0.087 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.2 | -40.5 | 170.4 | -57.1 | 176.3 | 0 | 0 | 0 | 109.7 | L128 W129 P130 R137 F148 C149 D154 | L128-I133 HydrophobicContact CB-CD1 4.15Å; L128-I133 HydrophobicContact CB-CG1 3.6Å; L128-I133 HydrophobicContact CD1-CG1 4.19Å; W129-I133 PolarHBondContact O-N 3.3Å; P130-I133 PolarHBondContact O-N 3.43Å; I133-R137 HydrophobicContact CG2-CG 4.47Å; I133-R137 VanDerWaalsContact O-CB 3.28Å; I133-R137 WeakPolarHBondContact O-CB 3.48Å; I133-R137 WeakPolarHBondContact O-CG 3.33Å; I133-R137 PolarHBondContact O-N 2.9Å; I133-F148 HydrophobicContact CG2-CE1 4.47Å; I133-C149 HydrophobicContact CG2-CB 3.74Å; I133-D154 HydrophobicContact CD1-CB 4.02Å |
| 134 | H | 95.7 | Very high | 94.7 | Very high | 64 Ų | 64 | 30.4 Ų | 30.4 | 30% | 0.296 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -64.6 | -49.6 | 175.5 | -165.6 | -116.6 | 0 | 0 | 0 | 112.5 | P130 Y131 T132 L136 R137 G138 F459 D460 | P130-H134 PolarHBondContact O-N 2.81Å; Y131-H134 WeakPolarHBondContact O-CB 3.3Å; Y131-H134 PolarHBondContact O-N 2.8Å; T132-H134 VanDerWaalsContact C-N 3.28Å; T132-H134 PolarHBondContact O-N 3.49Å; H134-L136 PolarHBondContact O-N 2.64Å; H134-R137 CarbonylContact O-C 3.38Å; H134-R137 PolarHBondContact O-N 2.84Å; H134-G138 PolarHBondContact O-N 3.08Å; H134-F459 HydrophobicContact CB-CB 3.94Å; H134-F459 PolarHBondContact CE1-O 2.99Å; H134-F459 PolarHBondContact ND1-O 3.36Å; H134-D460 IonicContact CE1-OD1 2.81Å; H134-D460 PolarHBondContact CE1-OD1 2.86Å; H134-D460 IonicContact NE2-OD1 3.41Å |
| 135 | D | 97.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 30.5 Ų | 30.5 | 8% | 0.08 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 178.2 | 178.8 | 68.5 | 0 | 0 | 0 | 112.2 | R71 R99 Y131 T132 G138 L139 | R71-D135 IonicContact CZ-OD1 3.63Å; R71-D135 IonicContact NH1-OD1 3.6Å; R71-D135 PolarHBondContact NH1-OD1 3.15Å; R71-D135 IonicContact NH2-OD1 3.61Å; R71-D135 PolarHBondContact NH2-OD1 2.99Å; R99-D135 IonicContact CZ-OD1 3.53Å; R99-D135 IonicContact CZ-OD2 3.88Å; R99-D135 VanDerWaalsContact CZ-OD2 3.3Å; R99-D135 IonicContact NE-OD2 3.96Å; R99-D135 PolarHBondContact NE-OD2 2.84Å; R99-D135 VanDerWaalsContact NH2-CG 3.33Å; R99-D135 IonicContact NH2-OD1 2.9Å; R99-D135 PolarHBondContact NH2-OD1 3.35Å; R99-D135 IonicContact NH2-OD2 3.71Å; R99-D135 PolarHBondContact NH2-OD2 2.75Å; Y131-D135 WeakPolarHBondContact O-CB 3.39Å; Y131-D135 PolarHBondContact O-N 2.88Å; T132-D135 PolarHBondContact O-N 2.85Å; D135-G138 CarbonylContact O-C 3.51Å; D135-G138 VanDerWaalsContact O-CA 3.25Å; D135-G138 WeakPolarHBondContact O-CA 3.37Å; D135-G138 PolarHBondContact O-N 3.12Å; D135-L139 PolarHBondContact O-N 3.34Å |
| 136 | L | 97.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.4 | -38.1 | 177.1 | -69.2 | 168.7 | 0 | 0 | 0 | 112.2 | L128 T132 H134 G138 L139 G140 A141 F148 L161 L165 F414 | L128-L136 HydrophobicContact CD1-CD1 4.25Å; L128-L136 HydrophobicContact CD2-CD1 4.45Å; T132-L136 WeakPolarHBondContact O-CB 3.46Å; T132-L136 VanDerWaalsContact O-CG 3.28Å; T132-L136 WeakPolarHBondContact O-CG 3.47Å; T132-L136 PolarHBondContact O-N 3.18Å; H134-L136 PolarHBondContact O-N 2.64Å; L136-G138 PolarHBondContact O-N 3.11Å; L136-L139 PolarHBondContact O-N 2.9Å; L136-G140 PolarHBondContact O-N 3.42Å; L136-G140 VanDerWaalsContact O-N 3.13Å; L136-A141 HydrophobicContact CB-CB 3.97Å; L136-A141 WeakPolarHBondContact O-CB 3.39Å; L136-A141 PolarHBondContact O-N 3.07Å; L136-F148 HydrophobicContact CB-CE1 3.71Å; L136-F148 HydrophobicContact CB-CE2 4.47Å; L136-F148 HydrophobicContact CB-CZ 3.5Å; L136-F148 VanDerWaalsContact CB-CZ 3.5Å; L136-F148 HydrophobicContact CD1-CE2 4.1Å; L136-F148 HydrophobicContact CD1-CZ 3.67Å; L136-F148 HydrophobicContact CG-CZ 4.23Å; L136-L161 HydrophobicContact CD1-CD1 3.69Å; L136-L161 HydrophobicContact CD2-CD1 3.85Å; L136-L161 HydrophobicContact CG-CD1 4.46Å; L136-L165 HydrophobicContact CD2-CD2 3.92Å; L136-F414 HydrophobicContact CD1-CE2 4.25Å; L136-F414 HydrophobicContact CD2-CE2 4.02Å; L136-F414 HydrophobicContact CD2-CZ 4.26Å; L136-F414 HydrophobicContact CG-CE2 4.06Å |
| 137 | R | 95.7 | Very high | 94.3 | Very high | 107 Ų | 107 | 35.2 Ų | 35.2 | 40% | 0.404 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -63.2 | -31 | 168.3 | -75.6 | 172.5 | -179.3 | 172.2 | 1.1 | 111.4 | K67 I133 H134 G140 F148 C149 | K67-R137 WeakPolarHBondContact CE-O 3.47Å; K67-R137 PolarHBondContact NZ-O 2.85Å; I133-R137 HydrophobicContact CG2-CG 4.47Å; I133-R137 VanDerWaalsContact O-CB 3.28Å; I133-R137 WeakPolarHBondContact O-CB 3.48Å; I133-R137 WeakPolarHBondContact O-CG 3.33Å; I133-R137 PolarHBondContact O-N 2.9Å; H134-R137 CarbonylContact O-C 3.38Å; H134-R137 PolarHBondContact O-N 2.84Å; R137-G140 PolarHBondContact O-N 2.72Å; R137-F148 HydrophobicContact CG-CD1 4.3Å; R137-F148 HydrophobicContact CG-CE1 4.01Å; R137-C149 PolarHBondContact NH2-O 3.11Å |
| 138 | G | 95.4 | Very high | 94.2 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 27% | 0.268 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62 | -53.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K67 H134 D135 L136 G140 | K67-G138 WeakPolarHBondContact CB-O 3.38Å; H134-G138 PolarHBondContact O-N 3.08Å; D135-G138 CarbonylContact O-C 3.51Å; D135-G138 VanDerWaalsContact O-CA 3.25Å; D135-G138 WeakPolarHBondContact O-CA 3.37Å; D135-G138 PolarHBondContact O-N 3.12Å; L136-G138 PolarHBondContact O-N 3.11Å; G138-G140 PolarHBondContact O-N 3.34Å; G138-G140 VanDerWaalsContact O-N 3.11Å |
| 139 | L | 96.3 | Very high | 93.9 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -0.8 | 174.6 | -63.3 | -178.6 | 0 | 0 | 0 | 114.7 | L68 I102 D135 L136 L165 V168 | L68-L139 HydrophobicContact CD2-CD2 4.16Å; I102-L139 HydrophobicContact CD1-CD1 4.31Å; I102-L139 HydrophobicContact CG2-CD1 4.43Å; I102-L139 HydrophobicContact CG2-CD2 4.19Å; D135-L139 PolarHBondContact O-N 3.34Å; L136-L139 PolarHBondContact O-N 2.9Å; L139-L165 HydrophobicContact CD1-CD2 4.2Å; L139-V168 HydrophobicContact CB-CG2 4.36Å; L139-V168 HydrophobicContact CD2-CG1 4.34Å |
| 140 | G | 95 | Very high | 93.4 | Very high | 2 Ų | 2 | 35.3 Ų | 35.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 19.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L136 R137 G138 K142 K143 | L136-G140 PolarHBondContact O-N 3.42Å; L136-G140 VanDerWaalsContact O-N 3.13Å; R137-G140 PolarHBondContact O-N 2.72Å; G138-G140 PolarHBondContact O-N 3.34Å; G138-G140 VanDerWaalsContact O-N 3.11Å; G140-K142 PolarHBondContact O-N 2.9Å; G140-K143 WeakPolarHBondContact O-CB 3.41Å; G140-K143 PolarHBondContact O-N 2.97Å |
| 141 | A | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -43.2 | -41.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | L136 K143 F144 Y145 F148 I164 | L136-A141 HydrophobicContact CB-CB 3.97Å; L136-A141 WeakPolarHBondContact O-CB 3.39Å; L136-A141 PolarHBondContact O-N 3.07Å; A141-K143 PolarHBondContact O-N 2.94Å; A141-K143 VanDerWaalsContact O-N 3.13Å; A141-F144 PolarHBondContact O-N 3.35Å; A141-Y145 PolarHBondContact O-N 3.05Å; A141-F148 HydrophobicContact CB-CD1 3.49Å; A141-F148 VanDerWaalsContact CB-CD1 3.49Å; A141-F148 HydrophobicContact CB-CD2 4.39Å; A141-F148 HydrophobicContact CB-CE1 3.68Å; A141-F148 HydrophobicContact CB-CG 3.89Å; A141-F148 HydrophobicContact CB-CZ 4.23Å; A141-I164 HydrophobicContact CB-CD1 4.32Å; A141-I164 HydrophobicContact CB-CG2 3.85Å |
| 142 | K | 92.9 | Very high | 92.1 | Very high | 126 Ų | 126 | 41.1 Ų | 41.1 | 55% | 0.548 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -13.6 | 178.3 | -167.9 | 167.5 | -178.1 | 175.8 | 0 | 114.9 | G140 | G140-K142 PolarHBondContact O-N 2.9Å |
| 143 | K | 92 | Very high | 91.6 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -83.3 | -33.2 | 170 | -68 | -69.8 | -170.8 | 169.5 | 0 | 112.5 | I19 G140 A141 | I19-K143 WeakPolarHBondContact CG2-O 3.45Å; G140-K143 WeakPolarHBondContact O-CB 3.41Å; G140-K143 PolarHBondContact O-N 2.97Å; A141-K143 PolarHBondContact O-N 2.94Å; A141-K143 VanDerWaalsContact O-N 3.13Å |
| 144 | F | 93.2 | Very high | 91.3 | Very high | 18 Ų | 18 | 45.3 Ų | 45.3 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -87.2 | -29.4 | 179.3 | -55 | -70.1 | 0 | 0 | 0 | 112.9 | I19 L64 A141 I164 K167 V168 I171 | I19-F144 HydrophobicContact CG1-CD1 4.12Å; I19-F144 HydrophobicContact CG1-CE1 4.12Å; I19-F144 HydrophobicContact CG2-CD1 4.45Å; L64-F144 HydrophobicContact CD1-CE2 3.91Å; L64-F144 HydrophobicContact CD1-CZ 3.92Å; L64-F144 HydrophobicContact CD2-CE1 4.09Å; L64-F144 HydrophobicContact CD2-CE2 4.4Å; L64-F144 HydrophobicContact CD2-CZ 3.58Å; L64-F144 HydrophobicContact CG-CZ 4.41Å; A141-F144 PolarHBondContact O-N 3.35Å; F144-I164 HydrophobicContact CB-CG1 4.15Å; F144-I164 HydrophobicContact CD2-CG2 4.21Å; F144-K167 HydrophobicContact CB-CD 4.33Å; F144-K167 HydrophobicContact CD1-CB 3.81Å; F144-K167 HydrophobicContact CD1-CD 3.74Å; F144-K167 HydrophobicContact CD1-CG 4.37Å; F144-K167 HydrophobicContact CE1-CB 3.72Å; F144-K167 HydrophobicContact CE1-CD 4.42Å; F144-K167 HydrophobicContact CG-CB 4.43Å; F144-K167 HydrophobicContact CG-CD 4.32Å; F144-K167 HydrophobicContact CZ-CB 4.28Å; F144-V168 HydrophobicContact CD2-CG2 4.28Å; F144-V168 HydrophobicContact CE2-CG2 3.46Å; F144-V168 VanDerWaalsContact CE2-CG2 3.46Å; F144-V168 HydrophobicContact CZ-CG2 3.89Å; F144-I171 HydrophobicContact CE1-CD1 4.11Å; F144-I171 HydrophobicContact CZ-CD1 3.95Å |
| 145 | Y | 92.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 42.3 Ų | 42.3 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | trans | -137.9 | 100.6 | 177.2 | -178.5 | -132.5 | 0 | 0 | 0 | 109.1 | A141 K147 F148 I156 I164 D293 N294 | A141-Y145 PolarHBondContact O-N 3.05Å; Y145-K147 HydrophobicContact CD2-CB 4.44Å; Y145-K147 HydrophobicContact CE1-CB 4Å; Y145-K147 HydrophobicContact CE2-CB 3.9Å; Y145-K147 HydrophobicContact CE2-CD 4.17Å; Y145-K147 HydrophobicContact CE2-CG 4.33Å; Y145-K147 PolarHBondContact O-N 2.96Å; Y145-F148 HydrophobicContact CD1-CB 3.81Å; Y145-F148 HydrophobicContact CD1-CD2 4.29Å; Y145-F148 HydrophobicContact CG-CB 4.46Å; Y145-F148 WeakPolarHBondContact O-CB 3.34Å; Y145-F148 PolarHBondContact O-N 2.85Å; Y145-I156 HydrophobicContact CD1-CD1 4.26Å; Y145-I156 HydrophobicContact CE1-CD1 4.45Å; Y145-I156 HydrophobicContact CE1-CG1 4.39Å; Y145-I164 HydrophobicContact CD1-CD1 4.33Å; Y145-I164 HydrophobicContact CG-CD1 4.46Å; Y145-D293 PolarHBondContact OH-OD2 3.08Å; Y145-N294 PolarHBondContact OH-ND2 3.47Å | ||
| 146 | G | 88.8 | Confident | 91 | Very high | 58 Ų | 58 | 41.6 Ų | 41.6 | 60% | 0.598 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -27.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | F148 | G146-F148 VanDerWaalsContact C-N 3.27Å; G146-F148 PolarHBondContact O-N 3.05Å |
| 147 | K | 87.6 | Confident | 90.9 | Very high | 91 Ų | 91 | 41.8 Ų | 41.8 | 40% | 0.396 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -12 | 174.6 | -67 | -176.7 | 175 | -173.5 | 0 | 113.6 | Y145 C149 A150 N252 | Y145-K147 HydrophobicContact CD2-CB 4.44Å; Y145-K147 HydrophobicContact CE1-CB 4Å; Y145-K147 HydrophobicContact CE2-CB 3.9Å; Y145-K147 HydrophobicContact CE2-CD 4.17Å; Y145-K147 HydrophobicContact CE2-CG 4.33Å; Y145-K147 PolarHBondContact O-N 2.96Å; K147-C149 PolarHBondContact O-N 2.83Å; K147-C149 VanDerWaalsContact O-N 3.07Å; K147-A150 WeakPolarHBondContact O-CB 3.31Å; K147-A150 PolarHBondContact O-N 3Å; K147-N252 PolarHBondContact NZ-OD1 3.21Å; K147-N252 VanDerWaalsContact NZ-OD1 3.08Å |
| 148 | F | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 0% | 0.004 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 112.6 | -168.2 | -176.5 | -111.2 | 0 | 0 | 0 | 113.7 | L128 I133 L136 R137 A141 Y145 G146 A150 I156 I164 | L128-F148 HydrophobicContact CD1-CE2 3.74Å; L128-F148 HydrophobicContact CD1-CZ 3.99Å; I133-F148 HydrophobicContact CG2-CE1 4.47Å; L136-F148 HydrophobicContact CB-CE1 3.71Å; L136-F148 HydrophobicContact CB-CE2 4.47Å; L136-F148 HydrophobicContact CB-CZ 3.5Å; L136-F148 VanDerWaalsContact CB-CZ 3.5Å; L136-F148 HydrophobicContact CD1-CE2 4.1Å; L136-F148 HydrophobicContact CD1-CZ 3.67Å; L136-F148 HydrophobicContact CG-CZ 4.23Å; R137-F148 HydrophobicContact CG-CD1 4.3Å; R137-F148 HydrophobicContact CG-CE1 4.01Å; A141-F148 HydrophobicContact CB-CD1 3.49Å; A141-F148 VanDerWaalsContact CB-CD1 3.49Å; A141-F148 HydrophobicContact CB-CD2 4.39Å; A141-F148 HydrophobicContact CB-CE1 3.68Å; A141-F148 HydrophobicContact CB-CG 3.89Å; A141-F148 HydrophobicContact CB-CZ 4.23Å; Y145-F148 HydrophobicContact CD1-CB 3.81Å; Y145-F148 HydrophobicContact CD1-CD2 4.29Å; Y145-F148 HydrophobicContact CG-CB 4.46Å; Y145-F148 WeakPolarHBondContact O-CB 3.34Å; Y145-F148 PolarHBondContact O-N 2.85Å; G146-F148 VanDerWaalsContact C-N 3.27Å; G146-F148 PolarHBondContact O-N 3.05Å; F148-A150 VanDerWaalsContact C-N 3.27Å; F148-A150 PolarHBondContact O-N 3.34Å; F148-I156 HydrophobicContact CD2-CD1 3.93Å; F148-I156 HydrophobicContact CE2-CD1 4.02Å; F148-I164 HydrophobicContact CD2-CD1 4.42Å |
| 149 | C | 86.9 | Confident | 90.8 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.6 | 53.4 | -177.4 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | I133 R137 K147 I153 | I133-C149 HydrophobicContact CG2-CB 3.74Å; R137-C149 PolarHBondContact NH2-O 3.11Å; K147-C149 PolarHBondContact O-N 2.83Å; K147-C149 VanDerWaalsContact O-N 3.07Å; C149-I153 VanDerWaalsContact CA-O 3.25Å; C149-I153 WeakPolarHBondContact CA-O 3.32Å; C149-I153 VanDerWaalsContact CB-O 3.23Å; C149-I153 WeakPolarHBondContact CB-O 3.46Å; C149-I153 PolarHBondContact SG-O 3.05Å; C149-I153 VanDerWaalsContact SG-O 3.34Å |
| 150 | A | 84.2 | Confident | 90.7 | Very high | 40 Ų | 40 | 40 Ų | 40 | 33% | 0.331 | 25% | 0.247 | S | C | . | . | trans | -81.5 | 137.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.7 | K147 F148 A152 I153 | K147-A150 WeakPolarHBondContact O-CB 3.31Å; K147-A150 PolarHBondContact O-N 3Å; F148-A150 VanDerWaalsContact C-N 3.27Å; F148-A150 PolarHBondContact O-N 3.34Å; A150-A152 PolarHBondContact O-N 2.84Å; A150-I153 WeakPolarHBondContact O-CB 3.41Å; A150-I153 WeakPolarHBondContact O-CG1 3.42Å; A150-I153 PolarHBondContact O-N 2.98Å | ||
| 151 | G | 83.6 | Confident | 90.8 | Very high | 82 Ų | 82 | 39.9 Ų | 39.9 | 85% | 0.845 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | -125.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 152 | A | 79.9 | Confident | 90.9 | Very high | 100 Ų | 100 | 40 Ų | 40 | 83% | 0.826 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 0.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | A150 D154 | A150-A152 PolarHBondContact O-N 2.84Å; A152-D154 PolarHBondContact O-N 3.39Å |
| 153 | I | 85.4 | Confident | 91.1 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | trans | -61.3 | 120.3 | -176.8 | -65.1 | 169.8 | 0 | 0 | 0 | 110.5 | C149 A150 | C149-I153 VanDerWaalsContact CA-O 3.25Å; C149-I153 WeakPolarHBondContact CA-O 3.32Å; C149-I153 VanDerWaalsContact CB-O 3.23Å; C149-I153 WeakPolarHBondContact CB-O 3.46Å; C149-I153 PolarHBondContact SG-O 3.05Å; C149-I153 VanDerWaalsContact SG-O 3.34Å; A150-I153 WeakPolarHBondContact O-CB 3.41Å; A150-I153 WeakPolarHBondContact O-CG1 3.42Å; A150-I153 PolarHBondContact O-N 2.98Å | ||
| 154 | D | 90.7 | Very high | 91.4 | Very high | 49 Ų | 49 | 30.1 Ų | 30.1 | 26% | 0.262 | 20% | 0.204 | S | C | . | . | trans | -113.2 | 21.3 | -178.9 | 74.3 | 15.3 | 0 | 0 | 0 | 113.8 | H127 L128 I133 A152 | H127-D154 IonicContact CE1-OD1 3.95Å; H127-D154 IonicContact CE1-OD2 3.55Å; H127-D154 PolarHBondContact CE1-OD2 3.19Å; H127-D154 IonicContact ND1-OD1 3.98Å; H127-D154 PolarHBondContact ND1-OD1 3.34Å; H127-D154 IonicContact ND1-OD2 3.9Å; H127-D154 PolarHBondContact ND1-OD2 2.9Å; L128-D154 WeakPolarHBondContact CA-O 3.39Å; L128-D154 VanDerWaalsContact CB-O 3.26Å; L128-D154 WeakPolarHBondContact CB-O 3.47Å; L128-D154 PolarHBondContact N-O 3.25Å; I133-D154 HydrophobicContact CD1-CB 4.02Å; A152-D154 PolarHBondContact O-N 3.39Å | ||
| 155 | H | 92.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 29.3 Ų | 29.3 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 168.7 | -172.6 | 56.1 | 73.4 | 0 | 0 | 0 | 113.7 | V125 L126 E261 Y291 | V125-H155 HydrophobicContact CG1-CB 3.62Å; L126-H155 CarbonylContact O-C 3.57Å; L126-H155 WeakPolarHBondContact O-CA 3.26Å; L126-H155 VanDerWaalsContact O-CB 3.28Å; L126-H155 WeakPolarHBondContact O-CB 3.21Å; H155-E261 IonicContact CD2-OE2 2.75Å; H155-E261 IonicContact CE1-OE1 2.85Å; H155-E261 PolarHBondContact CE1-OE1 3.5Å; H155-E261 VanDerWaalsContact CE1-OE1 3.28Å; H155-E261 IonicContact NE2-OE1 3.85Å; H155-E261 PolarHBondContact NE2-OE1 3.43Å; H155-E261 IonicContact NE2-OE2 3.01Å; H155-E261 PolarHBondContact NE2-OE2 2.92Å; H155-Y291 HydrophobicContact CB-CD1 4.5Å; H155-Y291 HydrophobicContact CB-CG 4.42Å; H155-Y291 AromaticContact CD2-CD1 3.34Å; H155-Y291 WeakPolarHBondContact CD2-CD1 3.44Å; H155-Y291 AromaticContact CD2-CE1 3.92Å; H155-Y291 AromaticContact CD2-CG 3.79Å; H155-Y291 AromaticContact CG-CD1 3.95Å; H155-Y291 AromaticContact CG-CG 3.96Å; H155-Y291 AromaticContact NE2-CD1 3.73Å |
| 156 | I | 95.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.1 | 142.4 | 178.5 | -167.7 | 172.8 | 0 | 0 | 0 | 111.9 | L126 L128 Y145 F148 Q160 L161 I164 | L126-I156 PolarHBondContact N-O 3.31Å; L126-I156 PolarHBondContact O-N 3.39Å; L128-I156 HydrophobicContact CD1-CB 4.19Å; L128-I156 HydrophobicContact CD1-CG2 3.75Å; L128-I156 HydrophobicContact CD2-CG2 3.97Å; L128-I156 HydrophobicContact CG-CG2 4.03Å; Y145-I156 HydrophobicContact CD1-CD1 4.26Å; Y145-I156 HydrophobicContact CE1-CD1 4.45Å; Y145-I156 HydrophobicContact CE1-CG1 4.39Å; F148-I156 HydrophobicContact CD2-CD1 3.93Å; F148-I156 HydrophobicContact CE2-CD1 4.02Å; I156-Q160 HydrophobicContact CD1-CB 4.01Å; I156-Q160 HydrophobicContact CG1-CB 3.95Å; I156-L161 HydrophobicContact CD1-CB 4.07Å; I156-L161 HydrophobicContact CD1-CD1 4.49Å; I156-L161 HydrophobicContact CG2-CB 3.99Å; I156-L161 HydrophobicContact CG2-CD2 4.22Å; I156-L161 HydrophobicContact CG2-CG 4.47Å; I156-I164 HydrophobicContact CD1-CD1 3.59Å |
| 157 | S | 94.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 141.5 | 169.3 | 43.8 | 0 | 0 | 0 | 0 | 112.8 | H123 Q159 Q160 L161 D293 | H123-S157 WeakPolarHBondContact O-CB 3.47Å; S157-Q159 VanDerWaalsContact C-N 3.29Å; S157-Q159 PolarHBondContact O-N 3.4Å; S157-Q160 PolarHBondContact O-N 3.44Å; S157-Q160 VanDerWaalsContact OG-CG 3.24Å; S157-Q160 WeakPolarHBondContact OG-CG 3.37Å; S157-L161 PolarHBondContact O-N 3.16Å; S157-L161 VanDerWaalsContact O-N 3.1Å; S157-D293 WeakPolarHBondContact CB-OD1 3.29Å; S157-D293 PolarHBondContact OG-OD1 3.14Å |
| 158 | I | 94.8 | Very high | 92.8 | Very high | 21 Ų | 21 | 21.4 Ų | 21.4 | 11% | 0.108 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.6 | -44.7 | -176.1 | -66.9 | 162.1 | 0 | 0 | 0 | 111.5 | P95 R122 N124 L126 Q160 L161 Q162 | P95-I158 HydrophobicContact CG-CG2 4.36Å; R122-I158 HydrophobicContact CB-CB 3.93Å; R122-I158 HydrophobicContact CB-CD1 4.08Å; R122-I158 HydrophobicContact CB-CG2 3.99Å; N124-I158 HydrophobicContact CB-CD1 4.11Å; N124-I158 VanDerWaalsContact O-CG1 3.31Å; N124-I158 WeakPolarHBondContact O-CG1 3.23Å; N124-I158 PolarHBondContact O-N 3.01Å; L126-I158 HydrophobicContact CD1-CG1 3.84Å; L126-I158 HydrophobicContact CD2-CD1 4.19Å; L126-I158 HydrophobicContact CD2-CG1 3.86Å; L126-I158 HydrophobicContact CG-CD1 4.47Å; L126-I158 HydrophobicContact CG-CG1 3.61Å; I158-Q160 PolarHBondContact O-N 2.85Å; I158-L161 PolarHBondContact O-N 2.72Å; I158-Q162 HydrophobicContact CG2-CG 4.35Å; I158-Q162 WeakPolarHBondContact O-CG 3.25Å; I158-Q162 PolarHBondContact O-N 2.89Å |
| 159 | Q | 94.3 | Very high | 93.1 | Very high | 41 Ų | 41 | 21.4 Ų | 21.4 | 19% | 0.192 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.7 | -47.7 | 176.3 | 177.2 | -169.8 | 72 | 0 | 0 | 112.4 | F120 R122 S157 Q162 L163 | F120-Q159 HydrophobicContact CB-CG 4.04Å; F120-Q159 WeakPolarHBondContact O-CG 3.49Å; F120-Q159 PolarHBondContact O-NE2 3.48Å; R122-Q159 WeakPolarHBondContact O-CB 3.47Å; R122-Q159 PolarHBondContact O-N 3.26Å; S157-Q159 VanDerWaalsContact C-N 3.29Å; S157-Q159 PolarHBondContact O-N 3.4Å; Q159-Q162 PolarHBondContact O-N 2.95Å; Q159-L163 HydrophobicContact CG-CD1 4.2Å; Q159-L163 WeakPolarHBondContact O-CG 3.36Å; Q159-L163 PolarHBondContact O-N 3.27Å |
| 160 | Q | 95.1 | Very high | 93.6 | Very high | 33 Ų | 33 | 21.6 Ų | 21.6 | 15% | 0.154 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -68.3 | -37.4 | -177.7 | -63.6 | -57.9 | -40 | 0 | 0 | 111.5 | I156 S157 I158 L163 I164 | I156-Q160 HydrophobicContact CD1-CB 4.01Å; I156-Q160 HydrophobicContact CG1-CB 3.95Å; S157-Q160 PolarHBondContact O-N 3.44Å; S157-Q160 VanDerWaalsContact OG-CG 3.24Å; S157-Q160 WeakPolarHBondContact OG-CG 3.37Å; I158-Q160 PolarHBondContact O-N 2.85Å; Q160-L163 PolarHBondContact O-N 3.47Å; Q160-I164 VanDerWaalsContact O-CG1 3.26Å; Q160-I164 WeakPolarHBondContact O-CG1 3.31Å; Q160-I164 PolarHBondContact O-N 2.97Å |
| 161 | L | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.6 | -41.9 | 172.9 | -173.8 | 58.1 | 0 | 0 | 0 | 112.1 | P95 L126 L136 I156 S157 I158 I164 L165 F414 | P95-L161 HydrophobicContact CB-CD2 3.74Å; P95-L161 HydrophobicContact CB-CG 4.06Å; P95-L161 HydrophobicContact CG-CD2 4.07Å; P95-L161 HydrophobicContact CG-CG 4.32Å; L126-L161 HydrophobicContact CD1-CD2 3.92Å; L136-L161 HydrophobicContact CD1-CD1 3.69Å; L136-L161 HydrophobicContact CD2-CD1 3.85Å; L136-L161 HydrophobicContact CG-CD1 4.46Å; I156-L161 HydrophobicContact CD1-CB 4.07Å; I156-L161 HydrophobicContact CD1-CD1 4.49Å; I156-L161 HydrophobicContact CG2-CB 3.99Å; I156-L161 HydrophobicContact CG2-CD2 4.22Å; I156-L161 HydrophobicContact CG2-CG 4.47Å; S157-L161 PolarHBondContact O-N 3.16Å; S157-L161 VanDerWaalsContact O-N 3.1Å; I158-L161 PolarHBondContact O-N 2.72Å; L161-I164 PolarHBondContact O-N 2.9Å; L161-L165 HydrophobicContact CD1-CD1 3.95Å; L161-L165 HydrophobicContact CD1-CG 4.25Å; L161-L165 HydrophobicContact CG-CD1 3.95Å; L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 3.48Å; L161-F414 HydrophobicContact CD1-CZ 4.44Å; L161-F414 HydrophobicContact CD2-CZ 4.47Å |
| 162 | Q | 97.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 16.4 Ų | 16.4 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63 | -40.1 | 174.1 | -69.6 | -172.9 | -106.6 | 0 | 0 | 111.8 | G93 P95 L98 F120 I158 Q159 L166 | G93-Q162 PolarHBondContact O-NE2 2.89Å; P95-Q162 HydrophobicContact CG-CG 3.83Å; L98-Q162 HydrophobicContact CD1-CB 4.44Å; F120-Q162 HydrophobicContact CB-CB 4.42Å; F120-Q162 HydrophobicContact CD1-CB 4.15Å; F120-Q162 VanDerWaalsContact CD1-NE2 3.32Å; F120-Q162 HydrophobicContact CD2-CB 3.5Å; F120-Q162 VanDerWaalsContact CD2-CB 3.5Å; F120-Q162 HydrophobicContact CE1-CB 4.25Å; F120-Q162 HydrophobicContact CE2-CB 3.62Å; F120-Q162 HydrophobicContact CG-CB 3.78Å; F120-Q162 HydrophobicContact CZ-CB 4Å; I158-Q162 HydrophobicContact CG2-CG 4.35Å; I158-Q162 WeakPolarHBondContact O-CG 3.25Å; I158-Q162 PolarHBondContact O-N 2.89Å; Q159-Q162 PolarHBondContact O-N 2.95Å; Q162-L166 WeakPolarHBondContact O-CB 3.48Å; Q162-L166 PolarHBondContact O-N 2.91Å |
| 163 | L | 97.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 11.8 Ų | 11.8 | 2% | 0.016 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 176.3 | -71.3 | 169.8 | 0 | 0 | 0 | 113.1 | S22 F120 Q159 Q160 K167 | S22-L163 VanDerWaalsContact O-CD1 3.3Å; S22-L163 WeakPolarHBondContact O-CD1 3.39Å; F120-L163 HydrophobicContact CD2-CD2 3.86Å; F120-L163 HydrophobicContact CD2-CG 4.05Å; F120-L163 HydrophobicContact CE2-CD2 4.29Å; Q159-L163 HydrophobicContact CG-CD1 4.2Å; Q159-L163 WeakPolarHBondContact O-CG 3.36Å; Q159-L163 PolarHBondContact O-N 3.27Å; Q160-L163 PolarHBondContact O-N 3.47Å; L163-K167 VanDerWaalsContact O-CG 3.31Å; L163-K167 WeakPolarHBondContact O-CG 3.36Å; L163-K167 PolarHBondContact O-N 3.47Å; L163-K167 VanDerWaalsContact O-N 3.11Å |
| 164 | I | 97.6 | Very high | 96 | Very high | 3 Ų | 3 | 9.4 Ų | 9.4 | 2% | 0.015 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -60.9 | -50 | 176.6 | -68.7 | 164 | 0 | 0 | 0 | 110 | A141 F144 Y145 F148 I156 Q160 L161 K167 V168 | A141-I164 HydrophobicContact CB-CD1 4.32Å; A141-I164 HydrophobicContact CB-CG2 3.85Å; F144-I164 HydrophobicContact CB-CG1 4.15Å; F144-I164 HydrophobicContact CD2-CG2 4.21Å; Y145-I164 HydrophobicContact CD1-CD1 4.33Å; Y145-I164 HydrophobicContact CG-CD1 4.46Å; F148-I164 HydrophobicContact CD2-CD1 4.42Å; I156-I164 HydrophobicContact CD1-CD1 3.59Å; Q160-I164 VanDerWaalsContact O-CG1 3.26Å; Q160-I164 WeakPolarHBondContact O-CG1 3.31Å; Q160-I164 PolarHBondContact O-N 2.97Å; L161-I164 PolarHBondContact O-N 2.9Å; I164-K167 PolarHBondContact O-N 3.3Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 2.85Å |
| 165 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 9.3 Ų | 9.3 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -70 | -35.6 | -177.4 | -65.8 | 169.1 | 0 | 0 | 0 | 112.2 | P95 L98 I102 L136 L139 L161 K167 V168 A169 F414 | P95-L165 HydrophobicContact CB-CD1 4.11Å; P95-L165 WeakPolarHBondContact O-CD1 3.28Å; L98-L165 HydrophobicContact CB-CB 3.77Å; L98-L165 HydrophobicContact CB-CD1 4.49Å; L98-L165 HydrophobicContact CD1-CB 4.05Å; I102-L165 HydrophobicContact CD1-CB 4.27Å; I102-L165 HydrophobicContact CD1-CD2 3.75Å; L136-L165 HydrophobicContact CD2-CD2 3.92Å; L139-L165 HydrophobicContact CD1-CD2 4.2Å; L161-L165 HydrophobicContact CD1-CD1 3.95Å; L161-L165 HydrophobicContact CD1-CG 4.25Å; L161-L165 HydrophobicContact CG-CD1 3.95Å; L161-L165 WeakPolarHBondContact O-CB 3.44Å; L161-L165 WeakPolarHBondContact O-CG 3.33Å; L161-L165 PolarHBondContact O-N 3.48Å; L165-K167 PolarHBondContact O-N 2.94Å; L165-V168 PolarHBondContact O-N 3.3Å; L165-A169 VanDerWaalsContact O-CB 3.27Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.45Å; L165-F414 HydrophobicContact CD1-CE1 4.45Å; L165-F414 HydrophobicContact CD1-CZ 4.1Å |
| 166 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 173.1 | 176.5 | 62.2 | 0 | 0 | 0 | 111.4 | T27 L98 F120 Q162 V168 A169 L170 F176 | T27-L166 HydrophobicContact CG2-CD2 4.17Å; T27-L166 HydrophobicContact CG2-CG 4.36Å; L98-L166 HydrophobicContact CD1-CB 4.3Å; L98-L166 HydrophobicContact CD2-CD1 4.44Å; F120-L166 HydrophobicContact CE2-CB 4.04Å; F120-L166 HydrophobicContact CE2-CD2 3.66Å; F120-L166 HydrophobicContact CE2-CG 4.46Å; F120-L166 HydrophobicContact CZ-CB 4.33Å; F120-L166 HydrophobicContact CZ-CD2 3.91Å; Q162-L166 WeakPolarHBondContact O-CB 3.48Å; Q162-L166 PolarHBondContact O-N 2.91Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 2.9Å; L166-A169 PolarHBondContact O-N 3.44Å; L166-L170 HydrophobicContact CD1-CD1 3.93Å; L166-L170 HydrophobicContact CD1-CG 4Å; L166-L170 HydrophobicContact CG-CD1 3.93Å; L166-L170 HydrophobicContact CG-CG 4.43Å; L166-L170 WeakPolarHBondContact O-CB 3.21Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.44Å; L166-F176 HydrophobicContact CD1-CB 4.14Å; L166-F176 HydrophobicContact CD1-CD1 3.54Å; L166-F176 HydrophobicContact CD1-CD2 3.83Å; L166-F176 HydrophobicContact CD1-CE1 3.8Å; L166-F176 HydrophobicContact CD1-CE2 4.13Å; L166-F176 HydrophobicContact CD1-CG 3.55Å; L166-F176 HydrophobicContact CD1-CZ 4.12Å; L166-F176 HydrophobicContact CD2-CE1 4.44Å |
| 167 | K | 97.8 | Very high | 96.5 | Very high | 8 Ų | 8 | 11.9 Ų | 11.9 | 4% | 0.035 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.5 | -38.9 | 178.3 | -71.4 | 168.9 | -175 | 173.1 | 0 | 112.2 | F18 I19 A21 T27 F144 L163 I164 L165 I171 | F18-K167 HydrophobicContact CE1-CB 4.42Å; F18-K167 HydrophobicContact CE2-CG 4.09Å; F18-K167 HydrophobicContact CZ-CB 3.93Å; F18-K167 HydrophobicContact CZ-CG 3.96Å; F18-K167 WeakPolarHBondContact O-CE 3.24Å; I19-K167 PolarHBondContact O-NZ 2.73Å; A21-K167 WeakPolarHBondContact O-CE 3.45Å; A21-K167 PolarHBondContact O-NZ 3.15Å; T27-K167 HydrophobicContact CG2-CD 4.44Å; T27-K167 HydrophobicContact CG2-CG 3.61Å; F144-K167 HydrophobicContact CB-CD 4.33Å; F144-K167 HydrophobicContact CD1-CB 3.81Å; F144-K167 HydrophobicContact CD1-CD 3.74Å; F144-K167 HydrophobicContact CD1-CG 4.37Å; F144-K167 HydrophobicContact CE1-CB 3.72Å; F144-K167 HydrophobicContact CE1-CD 4.42Å; F144-K167 HydrophobicContact CG-CB 4.43Å; F144-K167 HydrophobicContact CG-CD 4.32Å; F144-K167 HydrophobicContact CZ-CB 4.28Å; L163-K167 VanDerWaalsContact O-CG 3.31Å; L163-K167 WeakPolarHBondContact O-CG 3.36Å; L163-K167 PolarHBondContact O-N 3.47Å; L163-K167 VanDerWaalsContact O-N 3.11Å; I164-K167 PolarHBondContact O-N 3.3Å; L165-K167 PolarHBondContact O-N 2.94Å; K167-I171 WeakPolarHBondContact O-CB 3.12Å; K167-I171 WeakPolarHBondContact O-CD1 3.29Å; K167-I171 VanDerWaalsContact O-CG1 3.27Å; K167-I171 WeakPolarHBondContact O-CG1 3.28Å; K167-I171 PolarHBondContact O-N 2.77Å |
| 168 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68.5 | -44.1 | 174.2 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | L68 I102 L139 F144 I164 L165 L166 I171 V172 | L68-V168 HydrophobicContact CD2-CG1 4.18Å; I102-V168 HydrophobicContact CD1-CB 3.87Å; I102-V168 HydrophobicContact CD1-CG1 3.74Å; I102-V168 HydrophobicContact CG1-CB 4.43Å; I102-V168 HydrophobicContact CG1-CG1 3.98Å; I102-V168 HydrophobicContact CG2-CG1 4.02Å; L139-V168 HydrophobicContact CB-CG2 4.36Å; L139-V168 HydrophobicContact CD2-CG1 4.34Å; F144-V168 HydrophobicContact CD2-CG2 4.28Å; F144-V168 HydrophobicContact CE2-CG2 3.46Å; F144-V168 VanDerWaalsContact CE2-CG2 3.46Å; F144-V168 HydrophobicContact CZ-CG2 3.89Å; I164-V168 WeakPolarHBondContact O-CG2 3.49Å; I164-V168 PolarHBondContact O-N 2.85Å; L165-V168 PolarHBondContact O-N 3.3Å; L166-V168 VanDerWaalsContact C-N 3.34Å; L166-V168 PolarHBondContact O-N 2.9Å; V168-I171 WeakPolarHBondContact O-CB 3.35Å; V168-I171 PolarHBondContact O-N 3.44Å; V168-V172 PolarHBondContact O-N 3.39Å; V168-V172 VanDerWaalsContact O-N 3.11Å |
| 169 | A | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L98 I102 L165 L166 I171 V172 G173 V174 | L98-A169 HydrophobicContact CD2-CB 4.21Å; I102-A169 HydrophobicContact CG1-CB 4.02Å; L165-A169 VanDerWaalsContact O-CB 3.27Å; L165-A169 WeakPolarHBondContact O-CB 3.32Å; L165-A169 PolarHBondContact O-N 3.45Å; L166-A169 PolarHBondContact O-N 3.44Å; A169-I171 PolarHBondContact O-N 2.59Å; A169-V172 WeakPolarHBondContact O-CG2 3.3Å; A169-V172 PolarHBondContact O-N 3.16Å; A169-G173 PolarHBondContact O-N 3.11Å; A169-V174 HydrophobicContact CB-CB 3.9Å; A169-V174 HydrophobicContact CB-CG1 4.28Å; A169-V174 HydrophobicContact CB-CG2 3.97Å; A169-V174 VanDerWaalsContact O-CB 3.29Å; A169-V174 WeakPolarHBondContact O-CB 3.39Å; A169-V174 WeakPolarHBondContact O-CG2 3.24Å; A169-V174 PolarHBondContact O-N 3.47Å |
| 170 | L | 97.1 | Very high | 96.6 | Very high | 9 Ų | 9 | 13.9 Ų | 13.9 | 5% | 0.047 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.6 | -44.1 | 176.2 | -69 | 169.2 | 0 | 0 | 0 | 111.8 | F18 T27 L28 F31 L166 V172 G173 F176 | F18-L170 HydrophobicContact CE2-CD1 4.01Å; F18-L170 HydrophobicContact CZ-CB 4.4Å; T27-L170 HydrophobicContact CG2-CD1 4.1Å; L28-L170 HydrophobicContact CD2-CD1 3.95Å; L28-L170 HydrophobicContact CD2-CD2 3.94Å; F31-L170 HydrophobicContact CB-CD1 4.27Å; F31-L170 HydrophobicContact CD1-CB 4.14Å; F31-L170 HydrophobicContact CD1-CD1 4.33Å; F31-L170 HydrophobicContact CD1-CD2 3.99Å; F31-L170 HydrophobicContact CD1-CG 4.38Å; F31-L170 HydrophobicContact CD2-CB 4.01Å; F31-L170 HydrophobicContact CE1-CB 3.93Å; F31-L170 HydrophobicContact CE1-CD2 4.02Å; F31-L170 HydrophobicContact CE1-CG 4.48Å; F31-L170 HydrophobicContact CE2-CB 3.8Å; F31-L170 HydrophobicContact CG-CB 4.17Å; F31-L170 HydrophobicContact CG-CD1 4.15Å; F31-L170 HydrophobicContact CZ-CB 3.75Å; F31-L170 WeakPolarHBondContact CZ-O 2.82Å; L166-L170 HydrophobicContact CD1-CD1 3.93Å; L166-L170 HydrophobicContact CD1-CG 4Å; L166-L170 HydrophobicContact CG-CD1 3.93Å; L166-L170 HydrophobicContact CG-CG 4.43Å; L166-L170 WeakPolarHBondContact O-CB 3.21Å; L166-L170 VanDerWaalsContact O-CG 3.31Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.44Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 2.83Å; L170-G173 PolarHBondContact O-N 3.4Å; L170-G173 VanDerWaalsContact O-N 3.13Å; L170-F176 HydrophobicContact CD2-CB 4.26Å |
| 171 | I | 96 | Very high | 96.6 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.2 | -39.1 | 176.5 | -80.8 | 171.3 | 0 | 0 | 0 | 112.7 | F15 F18 Y49 L52 L64 W65 L68 F144 K167 V168 A169 G173 | F15-I171 HydrophobicContact CE2-CD1 4.4Å; F18-I171 HydrophobicContact CE1-CD1 3.96Å; F18-I171 HydrophobicContact CE1-CG1 3.96Å; F18-I171 HydrophobicContact CZ-CG1 4.3Å; Y49-I171 HydrophobicContact CD2-CG2 4.05Å; Y49-I171 HydrophobicContact CE2-CG2 4.13Å; L52-I171 HydrophobicContact CD2-CG1 4.39Å; L64-I171 HydrophobicContact CD2-CD1 3.7Å; W65-I171 HydrophobicContact CH2-CD1 4.34Å; W65-I171 HydrophobicContact CH2-CG2 4.37Å; W65-I171 HydrophobicContact CZ3-CD1 4.13Å; W65-I171 HydrophobicContact CZ3-CG1 4.49Å; W65-I171 HydrophobicContact CZ3-CG2 3.71Å; L68-I171 HydrophobicContact CD1-CG2 3.61Å; F144-I171 HydrophobicContact CE1-CD1 4.11Å; F144-I171 HydrophobicContact CZ-CD1 3.95Å; K167-I171 WeakPolarHBondContact O-CB 3.12Å; K167-I171 WeakPolarHBondContact O-CD1 3.29Å; K167-I171 VanDerWaalsContact O-CG1 3.27Å; K167-I171 WeakPolarHBondContact O-CG1 3.28Å; K167-I171 PolarHBondContact O-N 2.77Å; V168-I171 WeakPolarHBondContact O-CB 3.35Å; V168-I171 PolarHBondContact O-N 3.44Å; A169-I171 PolarHBondContact O-N 2.59Å; I171-G173 VanDerWaalsContact C-N 3.29Å; I171-G173 PolarHBondContact O-N 3Å |
| 172 | V | 95.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 15 Ų | 15 | 7% | 0.073 | 8% | 0.08 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 12 | -178.9 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | L68 A105 L106 V168 A169 L170 V174 | L68-V172 HydrophobicContact CD1-CG1 4.45Å; A105-V172 HydrophobicContact CB-CB 4.48Å; A105-V172 HydrophobicContact CB-CG2 3.78Å; L106-V172 HydrophobicContact CD2-CG1 4.08Å; V168-V172 PolarHBondContact O-N 3.39Å; V168-V172 VanDerWaalsContact O-N 3.11Å; A169-V172 WeakPolarHBondContact O-CG2 3.3Å; A169-V172 PolarHBondContact O-N 3.16Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 2.83Å; V172-V174 HydrophobicContact CG2-CG2 4.09Å |
| 173 | G | 95 | Very high | 96.3 | Very high | 4 Ų | 4 | 18.6 Ų | 18.6 | 4% | 0.041 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.9 | 21.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A169 L170 I171 | A169-G173 PolarHBondContact O-N 3.11Å; L170-G173 PolarHBondContact O-N 3.4Å; L170-G173 VanDerWaalsContact O-N 3.13Å; I171-G173 VanDerWaalsContact C-N 3.29Å; I171-G173 PolarHBondContact O-N 3Å |
| 174 | V | 97.2 | Very high | 96.2 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | trans | -71.8 | 127.1 | 168.5 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | A101 A105 V111 V113 A169 V172 | A101-V174 HydrophobicContact CB-CG1 3.99Å; A101-V174 HydrophobicContact CB-CG2 4.04Å; A105-V174 HydrophobicContact CB-CG2 3.74Å; V111-V174 HydrophobicContact CB-CG1 4.41Å; V111-V174 HydrophobicContact CB-CG2 4.31Å; V111-V174 HydrophobicContact CG1-CG1 4.09Å; V111-V174 HydrophobicContact CG1-CG2 4.43Å; V113-V174 HydrophobicContact CB-CG1 4.46Å; V113-V174 HydrophobicContact CG2-CG1 3.49Å; V113-V174 VanDerWaalsContact CG2-CG1 3.49Å; A169-V174 HydrophobicContact CB-CB 3.9Å; A169-V174 HydrophobicContact CB-CG1 4.28Å; A169-V174 HydrophobicContact CB-CG2 3.97Å; A169-V174 VanDerWaalsContact O-CB 3.29Å; A169-V174 WeakPolarHBondContact O-CB 3.39Å; A169-V174 WeakPolarHBondContact O-CG2 3.24Å; A169-V174 PolarHBondContact O-N 3.47Å; V172-V174 HydrophobicContact CG2-CG2 4.09Å | ||
| 175 | E | 96.3 | Very high | 96 | Very high | 48 Ų | 48 | 24.1 Ų | 24.1 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 125 | 173.1 | -153.3 | -179.2 | 112.3 | 0 | 0 | 109.3 | K110 V111 V112 V113 H177 | K110-E175 WeakPolarHBondContact CE-OE2 3.25Å; K110-E175 IonicContact NZ-OE2 3.77Å; K110-E175 PolarHBondContact NZ-OE2 2.94Å; V111-E175 PolarHBondContact O-N 2.68Å; V112-E175 CarbonylContact C-O 3.6Å; V112-E175 WeakPolarHBondContact CA-O 3.33Å; V112-E175 HydrophobicContact CG2-CB 4.18Å; V113-E175 PolarHBondContact N-O 3.19Å; E175-H177 IonicContact OE1-CD2 3.42Å; E175-H177 IonicContact OE1-CE1 3.57Å; E175-H177 IonicContact OE1-NE2 2.72Å; E175-H177 PolarHBondContact OE1-NE2 3.38Å |
| 176 | F | 96.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 27 Ų | 27 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 113.8 | -170.8 | -173.5 | -90.6 | 0 | 0 | 0 | 111.9 | L28 L98 V113 E115 F120 L166 L170 I178 | L28-F176 HydrophobicContact CD1-CD1 4.19Å; L28-F176 HydrophobicContact CD1-CE1 4.48Å; L28-F176 HydrophobicContact CD2-CD1 4.06Å; L98-F176 HydrophobicContact CD2-CD2 3.81Å; L98-F176 HydrophobicContact CD2-CE2 3.61Å; L98-F176 HydrophobicContact CG-CE2 4.42Å; V113-F176 HydrophobicContact CB-CD2 3.71Å; V113-F176 HydrophobicContact CB-CE2 4.25Å; V113-F176 HydrophobicContact CG1-CD2 3.67Å; V113-F176 HydrophobicContact CG1-CE2 3.67Å; V113-F176 HydrophobicContact CG2-CD2 4.4Å; E115-F176 HydrophobicContact CB-CZ 4.05Å; F120-F176 HydrophobicContact CE1-CZ 4.21Å; F120-F176 HydrophobicContact CZ-CE1 4.43Å; F120-F176 AromaticContact CZ-CZ 3.98Å; F120-F176 HydrophobicContact CZ-CZ 3.98Å; L166-F176 HydrophobicContact CD1-CB 4.14Å; L166-F176 HydrophobicContact CD1-CD1 3.54Å; L166-F176 HydrophobicContact CD1-CD2 3.83Å; L166-F176 HydrophobicContact CD1-CE1 3.8Å; L166-F176 HydrophobicContact CD1-CE2 4.13Å; L166-F176 HydrophobicContact CD1-CG 3.55Å; L166-F176 HydrophobicContact CD1-CZ 4.12Å; L166-F176 HydrophobicContact CD2-CE1 4.44Å; L170-F176 HydrophobicContact CD2-CB 4.26Å; F176-I178 HydrophobicContact CD1-CG2 3.99Å; F176-I178 HydrophobicContact CE1-CG2 3.41Å; F176-I178 VanDerWaalsContact CE1-CG2 3.41Å; F176-I178 HydrophobicContact CZ-CG2 4.33Å |
| 177 | H | 95.8 | Very high | 95.4 | Very high | 39 Ų | 39 | 29.9 Ų | 29.9 | 18% | 0.181 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 134.3 | -176.8 | -60.9 | -80 | 0 | 0 | 0 | 111.4 | V113 I114 E115 E175 V180 H208 V210 | V113-H177 PolarHBondContact O-N 3.32Å; I114-H177 HydrophobicContact CG2-CB 4.36Å; E115-H177 PolarHBondContact N-O 3.37Å; E175-H177 IonicContact OE1-CD2 3.42Å; E175-H177 IonicContact OE1-CE1 3.57Å; E175-H177 IonicContact OE1-NE2 2.72Å; E175-H177 PolarHBondContact OE1-NE2 3.38Å; H177-V180 HydrophobicContact CB-CG2 3.98Å; H177-H208 AromaticContact CE1-CE1 3.99Å; H177-H208 AromaticContact CG-CE1 3.66Å; H177-H208 AromaticContact ND1-CE1 3.39Å; H177-H208 PolarHBondContact ND1-CE1 2.9Å; H177-H208 AromaticContact ND1-NE2 3.71Å; H177-V210 WeakPolarHBondContact CD2-CG2 3.44Å; H177-V210 VanDerWaalsContact NE2-CG2 3.34Å; H177-V210 WeakPolarHBondContact NE2-CG2 3.42Å |
| 178 | I | 95.8 | Very high | 95 | Very high | 40 Ų | 40 | 29.8 Ų | 29.8 | 21% | 0.205 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 158.2 | -180 | 58.5 | 168.1 | 0 | 0 | 0 | 111.1 | K25 L28 E115 R117 F176 V180 | K25-I178 HydrophobicContact CG-CD1 3.85Å; L28-I178 HydrophobicContact CD1-CD1 4.02Å; L28-I178 HydrophobicContact CD1-CG1 4.29Å; L28-I178 HydrophobicContact CD1-CG2 3.91Å; E115-I178 CarbonylContact O-C 3.57Å; E115-I178 WeakPolarHBondContact O-CA 3.47Å; R117-I178 WeakPolarHBondContact O-CB 3.3Å; F176-I178 HydrophobicContact CD1-CG2 3.99Å; F176-I178 HydrophobicContact CE1-CG2 3.41Å; F176-I178 VanDerWaalsContact CE1-CG2 3.41Å; F176-I178 HydrophobicContact CZ-CG2 4.33Å; I178-V180 PolarHBondContact O-N 2.95Å |
| 179 | S | 95.1 | Very high | 94.2 | Very high | 66 Ų | 66 | 32.4 Ų | 32.4 | 46% | 0.462 | 17% | 0.169 | S | C | . | . | S | Bend | trans | 61.4 | 22.2 | -173.5 | -51.6 | 0 | 0 | 0 | 0 | 114.4 | E115 K116 R117 D118 | E115-S179 PolarHBondContact O-N 3.3Å; K116-S179 WeakPolarHBondContact O-CA 3.45Å; R117-S179 PolarHBondContact O-N 3.42Å; R117-S179 VanDerWaalsContact O-N 3.07Å; D118-S179 WeakPolarHBondContact CB-OG 3.28Å |
| 180 | V | 95.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 20% | 0.204 | C | C | . | . | trans | -109.8 | 111.8 | 179.5 | -176.8 | 0 | 0 | 0 | 0 | 109.8 | I114 E115 K116 H177 I178 I203 R204 | I114-V180 HydrophobicContact CB-CB 4.18Å; I114-V180 HydrophobicContact CB-CG1 4.07Å; I114-V180 HydrophobicContact CG2-CB 4.23Å; I114-V180 HydrophobicContact CG2-CG1 3.87Å; E115-V180 CarbonylContact C-O 3.55Å; E115-V180 VanDerWaalsContact C-O 3.25Å; E115-V180 PolarHBondContact O-N 2.91Å; K116-V180 WeakPolarHBondContact CA-O 3.38Å; K116-V180 PolarHBondContact N-O 3.47Å; H177-V180 HydrophobicContact CB-CG2 3.98Å; I178-V180 PolarHBondContact O-N 2.95Å; V180-I203 HydrophobicContact CG1-CB 3.95Å; V180-I203 HydrophobicContact CG1-CD1 3.9Å; V180-I203 HydrophobicContact CG1-CG1 4.48Å; V180-I203 HydrophobicContact CG1-CG2 4.16Å; V180-R204 WeakPolarHBondContact CA-O 3.2Å | ||
| 181 | E | 94.6 | Very high | 91.2 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 21% | 0.21 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 128.9 | 175 | 167.1 | 166.3 | -125.2 | 0 | 0 | 111 | K116 I203 R204 | K116-E181 HydrophobicContact CB-CB 4.28Å; K116-E181 HydrophobicContact CD-CB 3.94Å; K116-E181 HydrophobicContact CD-CG 4.05Å; K116-E181 WeakPolarHBondContact CD-OE1 3.38Å; K116-E181 WeakPolarHBondContact CE-OE1 3.39Å; K116-E181 HydrophobicContact CG-CB 4Å; K116-E181 IonicContact NZ-OE1 3.2Å; K116-E181 PolarHBondContact NZ-OE1 3.27Å; K116-E181 IonicContact NZ-OE2 3.22Å; K116-E181 PolarHBondContact NZ-OE2 2.9Å; E181-I203 CarbonylContact O-C 3.59Å; E181-I203 VanDerWaalsContact O-CA 3.23Å; E181-I203 WeakPolarHBondContact O-CA 3.3Å; E181-R204 HydrophobicContact CB-CB 4.22Å; E181-R204 PolarHBondContact N-O 3.5Å; E181-R204 PolarHBondContact O-N 2.93Å; E181-R204 IonicContact OE2-CZ 3.23Å; E181-R204 IonicContact OE2-NH1 2.72Å; E181-R204 PolarHBondContact OE2-NH1 3.23Å |
| 182 | F | 95.5 | Very high | 89.6 | Confident | 11 Ų | 11 | 49 Ų | 49 | 5% | 0.048 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 134.7 | 166.1 | -179.9 | -91.8 | 0 | 0 | 0 | 110.5 | I91 I114 L185 A201 L228 | I91-F182 HydrophobicContact CD1-CB 4.4Å; I91-F182 HydrophobicContact CD1-CD1 3.86Å; I91-F182 HydrophobicContact CD1-CD2 3.6Å; I91-F182 HydrophobicContact CD1-CE1 3.93Å; I91-F182 HydrophobicContact CD1-CE2 3.67Å; I91-F182 HydrophobicContact CD1-CG 3.69Å; I91-F182 HydrophobicContact CD1-CZ 3.82Å; I91-F182 HydrophobicContact CG1-CB 4.38Å; I91-F182 HydrophobicContact CG1-CD2 3.99Å; I91-F182 HydrophobicContact CG1-CE2 4.44Å; I91-F182 HydrophobicContact CG1-CG 4.12Å; I91-F182 HydrophobicContact CG2-CB 3.74Å; I91-F182 HydrophobicContact CG2-CG 4.18Å; I114-F182 HydrophobicContact CD1-CB 3.88Å; I114-F182 HydrophobicContact CD1-CD2 4.19Å; F182-L185 HydrophobicContact CE2-CD2 4.11Å; F182-L185 HydrophobicContact CZ-CD2 3.91Å; F182-L185 HydrophobicContact CZ-CG 4.09Å; F182-A201 HydrophobicContact CD2-CB 3.93Å; F182-A201 HydrophobicContact CE2-CB 3.78Å; F182-L228 HydrophobicContact CE1-CD2 4.08Å; F182-L228 HydrophobicContact CZ-CD2 3.86Å |
| 183 | I | 93.1 | Very high | 87.8 | Confident | 80 Ų | 80 | 56.5 Ų | 56.5 | 41% | 0.41 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | -58.7 | 176.7 | -50.9 | 175.7 | 0 | 0 | 0 | 110.6 | A202 R204 | I183-A202 HydrophobicContact CB-CB 4.21Å; I183-A202 WeakPolarHBondContact CB-O 3.45Å; I183-A202 PolarHBondContact N-O 3.02Å; I183-R204 HydrophobicContact CD1-CB 4.15Å; I183-R204 HydrophobicContact CG1-CB 4.37Å |
| 184 | K | 93.4 | Very high | 85.7 | Confident | 111 Ų | 111 | 63.9 Ų | 63.9 | 48% | 0.483 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 166.1 | -178.8 | 62.9 | 166.6 | -177.1 | 169.3 | 0 | 111.7 | A202 | K184-A202 HydrophobicContact CG-CB 3.74Å; K184-A202 PolarHBondContact N-O 3.1Å; K184-A202 PolarHBondContact O-N 3.16Å |
| 185 | L | 93.9 | Very high | 83.8 | Confident | 11 Ų | 11 | 70.8 Ų | 70.8 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 149.7 | 164.5 | -62.5 | 174.6 | 0 | 0 | 0 | 110.3 | F182 W199 F215 V218 L228 L390 | F182-L185 HydrophobicContact CE2-CD2 4.11Å; F182-L185 HydrophobicContact CZ-CD2 3.91Å; F182-L185 HydrophobicContact CZ-CG 4.09Å; L185-W199 HydrophobicContact CB-CZ3 4.5Å; L185-F215 HydrophobicContact CD2-CE2 3.97Å; L185-F215 HydrophobicContact CD2-CZ 4Å; L185-V218 HydrophobicContact CD2-CG1 4.29Å; L185-L228 HydrophobicContact CD2-CD2 4.42Å; L185-L228 HydrophobicContact CG-CD2 4.41Å; L185-L390 HydrophobicContact CD1-CD2 3.78Å; L185-L390 HydrophobicContact CD2-CD2 4.11Å |
| 186 | L | 92.6 | Very high | 82.5 | Confident | 62 Ų | 62 | 72 Ų | 72 | 33% | 0.325 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 122.7 | 167.4 | -64.1 | 175.2 | 0 | 0 | 0 | 107.6 | R200 A202 | L186-R200 HydrophobicContact CB-CB 4.32Å; L186-R200 PolarHBondContact N-O 2.85Å; L186-R200 PolarHBondContact O-N 3.23Å; L186-A202 HydrophobicContact CD1-CB 4.22Å; L186-A202 HydrophobicContact CD2-CB 4.07Å; L186-A202 HydrophobicContact CG-CB 4.04Å |
| 187 | E | 91.2 | Very high | 81.9 | Confident | 59 Ų | 59 | 73.2 Ų | 73.2 | 28% | 0.276 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 146.4 | 178.2 | -49.9 | -149.6 | 129 | 0 | 0 | 109.6 | W199 R383 R385 L492 | E187-W199 HydrophobicContact CB-CH2 4.34Å; E187-W199 HydrophobicContact CB-CZ3 4.14Å; E187-W199 HydrophobicContact CG-CH2 3.96Å; E187-W199 HydrophobicContact CG-CZ3 3.7Å; E187-W199 WeakPolarHBondContact OE1-CH2 3.26Å; E187-R383 IonicContact OE1-NH1 3.2Å; E187-R385 HydrophobicContact CB-CG 4.19Å; E187-R385 HydrophobicContact CG-CG 4.49Å; E187-R385 IonicContact OE1-CZ 3.63Å; E187-R385 IonicContact OE1-NE 2.66Å; E187-R385 PolarHBondContact OE1-NE 2.82Å; E187-R385 IonicContact OE1-NH2 3.61Å; E187-R385 PolarHBondContact OE1-NH2 3.06Å; E187-R385 IonicContact OE2-CZ 3.63Å; E187-R385 IonicContact OE2-NE 2.71Å; E187-R385 PolarHBondContact OE2-NE 2.89Å; E187-R385 IonicContact OE2-NH2 3.51Å; E187-R385 PolarHBondContact OE2-NH2 3.09Å; E187-L492 HydrophobicContact CG-CD1 4.3Å |
| 188 | P | 89.1 | Confident | 81.6 | Confident | 7 Ų | 7 | 71.8 Ų | 71.8 | 5% | 0.045 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 133.8 | 170.3 | -28.2 | 33 | 0 | 0 | 0 | 112 | W199 R385 H388 | P188-W199 HydrophobicContact CG-CD2 4.19Å; P188-W199 HydrophobicContact CG-CG 4.05Å; P188-R385 HydrophobicContact CG-CB 4.15Å; P188-H388 HydrophobicContact CG-CB 3.85Å |
| 189 | P | 82.7 | Confident | 81.6 | Confident | 55 Ų | 55 | 70.1 Ų | 70.1 | 36% | 0.357 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -67.6 | 158.5 | 174.4 | 29.6 | -34.4 | 0 | 0 | 0 | 111 | Q192 I197 | P189-Q192 HydrophobicContact CG-CG 4.28Å; P189-Q192 VanDerWaalsContact O-CG 3.31Å; P189-Q192 WeakPolarHBondContact O-CG 3.27Å; P189-Q192 PolarHBondContact O-NE2 2.98Å; P189-I197 HydrophobicContact CG-CB 4.18Å; P189-I197 HydrophobicContact CG-CD1 4.39Å; P189-I197 HydrophobicContact CG-CG2 4.45Å |
| 190 | E | 70.2 | Confident | 81.6 | Confident | 156 Ų | 156 | 70.8 Ų | 70.8 | 73% | 0.729 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -88.4 | -38.9 | -179.3 | -59 | -172.4 | 161.2 | 0 | 0 | 112.2 | Q192 | E190-Q192 PolarHBondContact O-N 2.65Š|
| 191 | D | 61.9 | Low | 81.6 | Confident | 144 Ų | 144 | 70.8 Ų | 70.8 | 77% | 0.77 | 36% | 0.361 | S | S | * | . | trans | -76.7 | 57.7 | -178.4 | -64.6 | -62.9 | 0 | 0 | 0 | 114.4 | Q193 | D191-Q193 VanDerWaalsContact C-N 3.3Å; D191-Q193 PolarHBondContact O-N 2.85Å | ||
| 192 | Q | 62.5 | Low | 81.6 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 27% | 0.266 | 36% | 0.358 | S | S | . | . | trans | -83.6 | 62.5 | -176.6 | -57.8 | -165.8 | -2.6 | 0 | 0 | 112.8 | P189 E190 N194 I197 H388 | P189-Q192 HydrophobicContact CG-CG 4.28Å; P189-Q192 VanDerWaalsContact O-CG 3.31Å; P189-Q192 WeakPolarHBondContact O-CG 3.27Å; P189-Q192 PolarHBondContact O-NE2 2.98Å; E190-Q192 PolarHBondContact O-N 2.65Å; Q192-N194 VanDerWaalsContact C-N 3.33Å; Q192-N194 PolarHBondContact O-N 3.43Å; Q192-I197 PolarHBondContact NE2-O 2.7Å; Q192-I197 VanDerWaalsContact NE2-O 3.15Å; Q192-H388 PolarHBondContact OE1-CE1 2.81Å | ||
| 193 | Q | 55.8 | Low | 81.5 | Confident | 169 Ų | 169 | 69.3 Ų | 69.3 | 79% | 0.79 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -72.1 | -16.2 | -176.7 | -67.2 | -169.9 | 5.9 | 0 | 0 | 115.3 | D191 | D191-Q193 VanDerWaalsContact C-N 3.3Å; D191-Q193 PolarHBondContact O-N 2.85Å |
| 194 | N | 52.4 | Low | 81.6 | Confident | 159 Ų | 159 | 71.9 Ų | 71.9 | 85% | 0.85 | 36% | 0.362 | S | S | * | . | S | Bend | trans | -142.5 | -26.2 | -179.3 | -80.3 | -67.6 | 0 | 0 | 0 | 116.1 | Q192 | Q192-N194 VanDerWaalsContact C-N 3.33Å; Q192-N194 PolarHBondContact O-N 3.43Å |
| 195 | E | 56.7 | Low | 81.6 | Confident | 150 Ų | 150 | 69.5 Ų | 69.5 | 70% | 0.701 | 36% | 0.358 | S | S | * | . | trans | -134.9 | 135 | 178.1 | -70 | -169.1 | 148.7 | 0 | 0 | 112 | I197 | E195-I197 HydrophobicContact CB-CG1 4.39Å; E195-I197 PolarHBondContact O-N 2.83Å; E195-I197 VanDerWaalsContact O-N 3.13Å | ||
| 196 | A | 68.6 | Low | 81.4 | Confident | 74 Ų | 74 | 72.9 Ų | 72.9 | 61% | 0.612 | 39% | 0.387 | S | S | * | . | trans | -84.1 | 80.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G198 | A196-G198 PolarHBondContact O-N 2.71Š| ||
| 197 | I | 84.3 | Confident | 81.2 | Confident | 40 Ų | 40 | 76.5 Ų | 76.5 | 21% | 0.205 | 41% | 0.407 | C | S | . | . | trans | -76.4 | 122.2 | -174.8 | -64 | 173.3 | 0 | 0 | 0 | 110.6 | P189 Q192 E195 E214 | P189-I197 HydrophobicContact CG-CB 4.18Å; P189-I197 HydrophobicContact CG-CD1 4.39Å; P189-I197 HydrophobicContact CG-CG2 4.45Å; Q192-I197 PolarHBondContact NE2-O 2.7Å; Q192-I197 VanDerWaalsContact NE2-O 3.15Å; E195-I197 HydrophobicContact CB-CG1 4.39Å; E195-I197 PolarHBondContact O-N 2.83Å; E195-I197 VanDerWaalsContact O-N 3.13Å; I197-E214 WeakPolarHBondContact CA-OE1 3.35Å | ||
| 198 | G | 89.9 | Confident | 81.2 | Confident | 10 Ų | 10 | 75.7 Ų | 75.7 | 10% | 0.103 | 40% | 0.403 | C | S | . | . | trans | -81.6 | -174.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A196 E214 | A196-G198 PolarHBondContact O-N 2.71Å; G198-E214 PolarHBondContact N-OE1 2.84Å | ||
| 199 | W | 94.8 | Very high | 81.3 | Confident | 4 Ų | 4 | 80.5 Ų | 80.5 | 2% | 0.015 | 43% | 0.434 | C | S | . | . | trans | -65.9 | 133.6 | 174.4 | -73.3 | 87.5 | 0 | 0 | 0 | 111.2 | L185 E187 P188 E214 F215 R383 R385 H388 L390 | L185-W199 HydrophobicContact CB-CZ3 4.5Å; E187-W199 HydrophobicContact CB-CH2 4.34Å; E187-W199 HydrophobicContact CB-CZ3 4.14Å; E187-W199 HydrophobicContact CG-CH2 3.96Å; E187-W199 HydrophobicContact CG-CZ3 3.7Å; E187-W199 WeakPolarHBondContact OE1-CH2 3.26Å; P188-W199 HydrophobicContact CG-CD2 4.19Å; P188-W199 HydrophobicContact CG-CG 4.05Å; W199-E214 VanDerWaalsContact O-CA 3.26Å; W199-E214 WeakPolarHBondContact O-CA 3.45Å; W199-F215 PolarHBondContact O-N 3.42Å; W199-R383 HydrophobicContact CH2-CB 3.65Å; W199-R383 HydrophobicContact CH2-CG 4.39Å; W199-R383 HydrophobicContact CZ2-CB 3.66Å; W199-R385 HydrophobicContact CH2-CB 4.42Å; W199-R385 HydrophobicContact CH2-CG 3.66Å; W199-R385 HydrophobicContact CZ2-CB 3.81Å; W199-R385 HydrophobicContact CZ2-CG 3.47Å; W199-R385 VanDerWaalsContact CZ2-CG 3.47Å; W199-H388 PolarHBondContact NE1-O 2.6Å; W199-L390 HydrophobicContact CB-CB 4.45Å; W199-L390 HydrophobicContact CB-CD1 4.48Å; W199-L390 HydrophobicContact CB-CD2 4.21Å; W199-L390 HydrophobicContact CD2-CB 3.74Å; W199-L390 HydrophobicContact CD2-CD2 3.63Å; W199-L390 HydrophobicContact CD2-CG 4.28Å; W199-L390 HydrophobicContact CE3-CB 4.43Å; W199-L390 HydrophobicContact CE3-CD2 3.5Å; W199-L390 HydrophobicContact CG-CB 3.74Å; W199-L390 HydrophobicContact CG-CD2 3.97Å; W199-L390 HydrophobicContact CG-CG 4.31Å; W199-L390 HydrophobicContact CZ2-CB 4.33Å; W199-L390 HydrophobicContact CZ3-CD2 4.06Å | ||
| 200 | R | 95.2 | Very high | 81.7 | Confident | 80 Ų | 80 | 78 Ų | 78 | 30% | 0.302 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 173.5 | -177.9 | -68.8 | -177.1 | -66.9 | 177.8 | 3.4 | 111.8 | L186 E214 F215 | L186-R200 HydrophobicContact CB-CB 4.32Å; L186-R200 PolarHBondContact N-O 2.85Å; L186-R200 PolarHBondContact O-N 3.23Å; R200-E214 HydrophobicContact CG-CB 4.44Å; R200-E214 HydrophobicContact CG-CG 3.87Å; R200-F215 VanDerWaalsContact C-CZ 3.46Å |
| 201 | A | 94.9 | Very high | 82.7 | Confident | 2 Ų | 2 | 72 Ų | 72 | 2% | 0.017 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 129.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L89 F182 I203 F215 | L89-A201 HydrophobicContact CD2-CB 3.69Å; F182-A201 HydrophobicContact CD2-CB 3.93Å; F182-A201 HydrophobicContact CE2-CB 3.78Å; A201-I203 HydrophobicContact CB-CG2 4.06Å; A201-I203 PolarHBondContact O-N 2.91Å; A201-F215 HydrophobicContact CB-CE1 3.83Å; A201-F215 HydrophobicContact CB-CZ 3.96Å |
| 202 | A | 94.2 | Very high | 84 | Confident | 19 Ų | 19 | 67.7 Ų | 67.7 | 16% | 0.157 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | I183 K184 L186 | I183-A202 HydrophobicContact CB-CB 4.21Å; I183-A202 WeakPolarHBondContact CB-O 3.45Å; I183-A202 PolarHBondContact N-O 3.02Å; K184-A202 HydrophobicContact CG-CB 3.74Å; K184-A202 PolarHBondContact N-O 3.1Å; K184-A202 PolarHBondContact O-N 3.16Å; L186-A202 HydrophobicContact CD1-CB 4.22Å; L186-A202 HydrophobicContact CD2-CB 4.07Å; L186-A202 HydrophobicContact CG-CB 4.04Å |
| 203 | I | 94.9 | Very high | 85.5 | Confident | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 163.1 | -176.6 | 60.6 | 172.1 | 0 | 0 | 0 | 111.9 | I114 V180 E181 A201 H208 V210 A211 | I114-I203 HydrophobicContact CD1-CG2 4.18Å; V180-I203 HydrophobicContact CG1-CB 3.95Å; V180-I203 HydrophobicContact CG1-CD1 3.9Å; V180-I203 HydrophobicContact CG1-CG1 4.48Å; V180-I203 HydrophobicContact CG1-CG2 4.16Å; E181-I203 CarbonylContact O-C 3.59Å; E181-I203 VanDerWaalsContact O-CA 3.23Å; E181-I203 WeakPolarHBondContact O-CA 3.3Å; A201-I203 HydrophobicContact CB-CG2 4.06Å; A201-I203 PolarHBondContact O-N 2.91Å; I203-H208 HydrophobicContact CD1-CB 3.89Å; I203-V210 HydrophobicContact CD1-CB 3.86Å; I203-V210 HydrophobicContact CD1-CG1 4.3Å; I203-A211 HydrophobicContact CD1-CB 4Å; I203-A211 VanDerWaalsContact CD1-N 3.32Å; I203-A211 HydrophobicContact CG1-CB 3.98Å |
| 204 | R | 93.9 | Very high | 87.4 | Confident | 134 Ų | 134 | 61 Ų | 61 | 51% | 0.506 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.3 | 172.4 | -178.1 | -179.8 | -67.4 | 128.2 | -0.6 | 109.3 | V180 E181 I183 | V180-R204 WeakPolarHBondContact CA-O 3.2Å; E181-R204 HydrophobicContact CB-CB 4.22Å; E181-R204 PolarHBondContact N-O 3.5Å; E181-R204 PolarHBondContact O-N 2.93Å; E181-R204 IonicContact OE2-CZ 3.23Å; E181-R204 IonicContact OE2-NH1 2.72Å; E181-R204 PolarHBondContact OE2-NH1 3.23Å; I183-R204 HydrophobicContact CD1-CB 4.15Å; I183-R204 HydrophobicContact CG1-CB 4.37Å |
| 205 | P | 94.3 | Very high | 89.5 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 40% | 0.403 | 31% | 0.313 | S | S | . | . | S | Bend | cis | -73.7 | 155.3 | -3.1 | 37.4 | -38.1 | 0 | 0 | 0 | 111.3 | D207 H208 | P205-D207 VanDerWaalsContact CB-OD1 3.26Å; P205-D207 WeakPolarHBondContact CB-OD1 3.36Å; P205-H208 HydrophobicContact CG-CB 4.36Å; P205-H208 WeakPolarHBondContact O-CB 3.42Å; P205-H208 PolarHBondContact O-N 2.88Å |
| 206 | A | 89.3 | Confident | 91.3 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 67% | 0.669 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -14.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H208 | A206-H208 VanDerWaalsContact C-N 3.29Š|
| 207 | D | 89.1 | Confident | 92.8 | Very high | 138 Ų | 138 | 45.6 Ų | 45.6 | 74% | 0.738 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.1 | 172.1 | 61.7 | -34.6 | 0 | 0 | 0 | 113.2 | P205 | P205-D207 VanDerWaalsContact CB-OD1 3.26Å; P205-D207 WeakPolarHBondContact CB-OD1 3.36Å |
| 208 | H | 91.7 | Very high | 93.4 | Very high | 42 Ų | 42 | 43.7 Ų | 43.7 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -67 | 133.9 | -177.8 | -172.3 | -91.2 | 0 | 0 | 0 | 111.6 | H177 I203 P205 A206 V210 A211 | H177-H208 AromaticContact CE1-CE1 3.99Å; H177-H208 AromaticContact CG-CE1 3.66Å; H177-H208 AromaticContact ND1-CE1 3.39Å; H177-H208 PolarHBondContact ND1-CE1 2.9Å; H177-H208 AromaticContact ND1-NE2 3.71Å; I203-H208 HydrophobicContact CD1-CB 3.89Å; P205-H208 HydrophobicContact CG-CB 4.36Å; P205-H208 WeakPolarHBondContact O-CB 3.42Å; P205-H208 PolarHBondContact O-N 2.88Å; A206-H208 VanDerWaalsContact C-N 3.29Å; H208-V210 PolarHBondContact O-N 2.66Å; H208-A211 WeakPolarHBondContact O-CB 3.22Å; H208-A211 PolarHBondContact O-N 3.39Å |
| 209 | P | 89.7 | Confident | 93.8 | Very high | 109 Ų | 109 | 43.2 Ų | 43.2 | 71% | 0.708 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -53.3 | -29.4 | -170 | -31.2 | 36.1 | 0 | 0 | 0 | 116.3 | A211 G212 | P209-A211 PolarHBondContact O-N 2.79Å; P209-A211 VanDerWaalsContact O-N 3.14Å; P209-G212 PolarHBondContact O-N 3.05Å; P209-G212 VanDerWaalsContact O-N 3.11Å |
| 210 | V | 92.4 | Very high | 93.9 | Very high | 3 Ų | 3 | 43 Ų | 43 | 2% | 0.018 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -62.1 | -16.2 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 113.3 | V112 I114 H177 I203 H208 G212 F213 | V112-V210 HydrophobicContact CG1-CG1 4.19Å; V112-V210 HydrophobicContact CG1-CG2 4.15Å; I114-V210 HydrophobicContact CG2-CG1 3.91Å; H177-V210 WeakPolarHBondContact CD2-CG2 3.44Å; H177-V210 VanDerWaalsContact NE2-CG2 3.34Å; H177-V210 WeakPolarHBondContact NE2-CG2 3.42Å; I203-V210 HydrophobicContact CD1-CB 3.86Å; I203-V210 HydrophobicContact CD1-CG1 4.3Å; H208-V210 PolarHBondContact O-N 2.66Å; V210-G212 PolarHBondContact O-N 3.27Å; V210-F213 HydrophobicContact CG1-CB 4.23Å; V210-F213 WeakPolarHBondContact O-CB 3.48Å; V210-F213 PolarHBondContact O-N 2.79Å |
| 211 | A | 90.6 | Very high | 93.9 | Very high | 30 Ų | 30 | 39.8 Ų | 39.8 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -61.4 | -28.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I203 H208 P209 | I203-A211 HydrophobicContact CD1-CB 4Å; I203-A211 VanDerWaalsContact CD1-N 3.32Å; I203-A211 HydrophobicContact CG1-CB 3.98Å; H208-A211 WeakPolarHBondContact O-CB 3.22Å; H208-A211 PolarHBondContact O-N 3.39Å; P209-A211 PolarHBondContact O-N 2.79Å; P209-A211 VanDerWaalsContact O-N 3.14Å |
| 212 | G | 88.9 | Confident | 93.7 | Very high | 53 Ų | 53 | 41.9 Ų | 41.9 | 55% | 0.546 | 25% | 0.251 | S | S | . | . | G | 310 helix | trans | -85.7 | -3.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P209 V210 E214 | P209-G212 PolarHBondContact O-N 3.05Å; P209-G212 VanDerWaalsContact O-N 3.11Å; V210-G212 PolarHBondContact O-N 3.27Å; G212-E214 PolarHBondContact O-N 2.84Å |
| 213 | F | 93.9 | Very high | 93.3 | Very high | 35 Ų | 35 | 41.5 Ų | 41.5 | 15% | 0.154 | 25% | 0.249 | C | C | . | . | trans | -79.6 | 117.4 | -177.3 | -177.9 | -110.4 | 0 | 0 | 0 | 111.5 | K87 L89 K110 V112 V210 F215 | K87-F213 HydrophobicContact CB-CZ 4.07Å; L89-F213 HydrophobicContact CB-CE1 4.44Å; K110-F213 HydrophobicContact CG-CE2 4.03Å; K110-F213 HydrophobicContact CG-CZ 4.14Å; V112-F213 HydrophobicContact CB-CD1 4.07Å; V112-F213 HydrophobicContact CB-CE1 3.78Å; V112-F213 HydrophobicContact CB-CZ 4.2Å; V112-F213 HydrophobicContact CG2-CD1 3.86Å; V112-F213 HydrophobicContact CG2-CD2 4.06Å; V112-F213 HydrophobicContact CG2-CE1 3.52Å; V112-F213 HydrophobicContact CG2-CE2 3.74Å; V112-F213 HydrophobicContact CG2-CG 4.13Å; V112-F213 HydrophobicContact CG2-CZ 3.46Å; V112-F213 VanDerWaalsContact CG2-CZ 3.46Å; V210-F213 HydrophobicContact CG1-CB 4.23Å; V210-F213 WeakPolarHBondContact O-CB 3.48Å; V210-F213 PolarHBondContact O-N 2.79Å; F213-F215 HydrophobicContact CD1-CB 4.49Å; F213-F215 AromaticContact CD1-CD1 3.97Å; F213-F215 HydrophobicContact CD1-CD1 3.97Å; F213-F215 HydrophobicContact CE1-CB 3.96Å; F213-F215 HydrophobicContact CE1-CD1 4.24Å; F213-F215 WeakPolarHBondContact O-CD1 3.23Å | ||
| 214 | E | 95.1 | Very high | 92.6 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 23% | 0.229 | 27% | 0.27 | C | S | . | . | trans | -87.1 | 147.9 | 173.2 | -56.3 | 175.8 | 142.9 | 0 | 0 | 111.6 | K87 I197 G198 W199 R200 G212 | K87-E214 WeakPolarHBondContact CB-O 3.37Å; K87-E214 HydrophobicContact CD-CB 4.41Å; K87-E214 WeakPolarHBondContact CD-O 3.29Å; K87-E214 IonicContact NZ-OE2 3.55Å; K87-E214 PolarHBondContact NZ-OE2 2.85Å; I197-E214 WeakPolarHBondContact CA-OE1 3.35Å; G198-E214 PolarHBondContact N-OE1 2.84Å; W199-E214 VanDerWaalsContact O-CA 3.26Å; W199-E214 WeakPolarHBondContact O-CA 3.45Å; R200-E214 HydrophobicContact CG-CB 4.44Å; R200-E214 HydrophobicContact CG-CG 3.87Å; G212-E214 PolarHBondContact O-N 2.84Å | ||
| 215 | F | 96.7 | Very high | 91.5 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 1% | 0.013 | 28% | 0.283 | C | S | . | . | trans | -149.7 | 142.3 | -179.6 | 49.2 | -90.7 | 0 | 0 | 0 | 113.6 | K87 L89 L185 W199 R200 A201 F213 V218 L390 | K87-F215 HydrophobicContact CB-CB 4.33Å; K87-F215 WeakPolarHBondContact O-CB 3.46Å; L89-F215 HydrophobicContact CB-CB 4.18Å; L89-F215 HydrophobicContact CB-CD1 3.71Å; L89-F215 HydrophobicContact CB-CD2 4.06Å; L89-F215 HydrophobicContact CB-CE1 4.11Å; L89-F215 HydrophobicContact CB-CE2 4.44Å; L89-F215 HydrophobicContact CB-CG 3.69Å; L89-F215 HydrophobicContact CB-CZ 4.46Å; L89-F215 HydrophobicContact CD2-CD1 3.92Å; L89-F215 HydrophobicContact CD2-CE1 3.45Å; L89-F215 VanDerWaalsContact CD2-CE1 3.45Å; L89-F215 HydrophobicContact CD2-CE2 4.33Å; L89-F215 HydrophobicContact CD2-CZ 3.68Å; L89-F215 HydrophobicContact CG-CD1 4.4Å; L89-F215 HydrophobicContact CG-CE1 4.38Å; L185-F215 HydrophobicContact CD2-CE2 3.97Å; L185-F215 HydrophobicContact CD2-CZ 4Å; W199-F215 PolarHBondContact O-N 3.42Å; R200-F215 VanDerWaalsContact C-CZ 3.46Å; A201-F215 HydrophobicContact CB-CE1 3.83Å; A201-F215 HydrophobicContact CB-CZ 3.96Å; F213-F215 HydrophobicContact CD1-CB 4.49Å; F213-F215 AromaticContact CD1-CD1 3.97Å; F213-F215 HydrophobicContact CD1-CD1 3.97Å; F213-F215 HydrophobicContact CE1-CB 3.96Å; F213-F215 HydrophobicContact CE1-CD1 4.24Å; F213-F215 WeakPolarHBondContact O-CD1 3.23Å; F215-V218 HydrophobicContact CD2-CB 3.98Å; F215-V218 HydrophobicContact CE2-CB 3.8Å; F215-V218 HydrophobicContact CE2-CG1 4.43Å; F215-V218 HydrophobicContact CE2-CG2 4.19Å; F215-L390 HydrophobicContact CD2-CD1 3.7Å; F215-L390 HydrophobicContact CE2-CD1 3.9Å; F215-L390 HydrophobicContact CE2-CD2 4.35Å | ||
| 216 | D | 96.1 | Very high | 90.7 | Very high | 57 Ų | 57 | 48.9 Ų | 48.9 | 31% | 0.305 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -91.4 | -15.1 | 176.5 | -27.1 | -73.1 | 0 | 0 | 0 | 111.4 | K87 L390 L391 | K87-D216 PolarHBondContact N-OD2 2.89Å; K87-D216 PolarHBondContact O-N 3.31Å; D216-L390 WeakPolarHBondContact O-CA 3.32Å; D216-L391 PolarHBondContact O-N 2.89Å |
| 217 | V | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 134.2 | -179.2 | -174.4 | 0 | 0 | 0 | 0 | 110.3 | T86 K87 C88 L89 V219 L391 V424 | T86-V217 HydrophobicContact CG2-CG2 3.63Å; K87-V217 PolarHBondContact O-N 3.36Å; K87-V217 VanDerWaalsContact O-N 3.16Å; C88-V217 WeakPolarHBondContact CA-O 2.98Å; C88-V217 HydrophobicContact CB-CB 4.4Å; L89-V217 PolarHBondContact N-O 3.11Å; V217-V219 HydrophobicContact CG1-CG2 4.33Å; V217-L391 CarbonylContact C-O 3.6Å; V217-L391 WeakPolarHBondContact CA-O 3.38Å; V217-L391 HydrophobicContact CG2-CB 4.3Å; V217-L391 HydrophobicContact CG2-CD2 4.42Å; V217-V424 HydrophobicContact CG1-CG2 3.78Å; V217-V424 HydrophobicContact CG2-CG1 4.27Å; V217-V424 HydrophobicContact CG2-CG2 4.41Å |
| 218 | V | 97.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.2 | 170.7 | 68.7 | 0 | 0 | 0 | 0 | 112.2 | L89 I91 L185 F215 L228 L390 L391 V392 A393 | L89-V218 HydrophobicContact CB-CG2 4.28Å; L89-V218 HydrophobicContact CD2-CG2 4.3Å; L89-V218 HydrophobicContact CG-CG2 4.4Å; L89-V218 CarbonylContact O-C 3.56Å; L89-V218 VanDerWaalsContact O-CA 3.29Å; L89-V218 WeakPolarHBondContact O-CA 3.36Å; I91-V218 HydrophobicContact CD1-CG2 3.82Å; I91-V218 HydrophobicContact CG1-CG2 4.22Å; L185-V218 HydrophobicContact CD2-CG1 4.29Å; F215-V218 HydrophobicContact CD2-CB 3.98Å; F215-V218 HydrophobicContact CE2-CB 3.8Å; F215-V218 HydrophobicContact CE2-CG1 4.43Å; F215-V218 HydrophobicContact CE2-CG2 4.19Å; V218-L228 HydrophobicContact CG1-CD1 4.41Å; V218-L228 HydrophobicContact CG1-CD2 4.39Å; V218-L228 HydrophobicContact CG2-CD1 4.46Å; V218-L228 HydrophobicContact CG2-CD2 4.32Å; V218-L390 HydrophobicContact CB-CD1 4.26Å; V218-L390 HydrophobicContact CG1-CD1 3.98Å; V218-L390 HydrophobicContact CG1-CD2 4.17Å; V218-L390 HydrophobicContact CG1-CG 4.27Å; V218-L391 PolarHBondContact N-O 3.29Å; V218-V392 HydrophobicContact CG1-CB 4.13Å; V218-V392 HydrophobicContact CG1-CG1 3.84Å; V218-V392 HydrophobicContact CG1-CG2 3.94Å; V218-V392 WeakPolarHBondContact O-CA 3.41Å; V218-A393 PolarHBondContact O-N 3.36Å |
| 219 | V | 98.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.8 | -179 | -172 | 0 | 0 | 0 | 0 | 111.4 | L89 I90 I91 T100 V217 A221 A393 V395 T420 | L89-V219 PolarHBondContact O-N 3.27Å; I90-V219 HydrophobicContact CG1-CB 4.22Å; I90-V219 HydrophobicContact CG1-CG2 4.46Å; I91-V219 PolarHBondContact N-O 3.22Å; T100-V219 HydrophobicContact CG2-CG1 4.47Å; V217-V219 HydrophobicContact CG1-CG2 4.33Å; V219-A221 PolarHBondContact O-N 2.93Å; V219-A393 CarbonylContact C-O 3.59Å; V219-A393 WeakPolarHBondContact CA-O 3.43Å; V219-V395 HydrophobicContact CG1-CB 4.11Å; V219-V395 HydrophobicContact CG1-CG2 3.65Å; V219-T420 HydrophobicContact CG1-CG2 4.46Å; V219-T420 HydrophobicContact CG2-CG2 4.19Å |
| 220 | G | 97.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 105.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A393 V395 S398 | G220-A393 PolarHBondContact N-O 3.21Å; G220-V395 PolarHBondContact O-N 3.32Å; G220-V395 VanDerWaalsContact O-N 3.09Å; G220-S398 PolarHBondContact O-OG 2.79Å |
| 221 | A | 95.7 | Very high | 89.7 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 10% | 0.099 | 23% | 0.227 | C | C | . | . | trans | -124.3 | 24.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I90 I91 G97 V219 G223 | I90-A221 HydrophobicContact CG2-CB 4.49Å; I91-A221 CarbonylContact O-C 3.43Å; I91-A221 VanDerWaalsContact O-CA 3.27Å; I91-A221 WeakPolarHBondContact O-CA 3.36Å; I91-A221 PolarHBondContact O-N 2.88Å; G97-A221 VanDerWaalsContact CA-CB 3.46Å; V219-A221 PolarHBondContact O-N 2.93Å; A221-G223 VanDerWaalsContact C-N 3.28Å; A221-G223 PolarHBondContact O-N 3.28Å | ||
| 222 | D | 90.1 | Very high | 89.7 | Confident | 47 Ų | 47 | 46.9 Ų | 46.9 | 25% | 0.251 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -78.1 | -6.4 | -179.6 | 66.3 | -12.9 | 0 | 0 | 0 | 114.3 | I91 N226 T227 | I91-D222 HydrophobicContact CG2-CB 4.33Å; I91-D222 PolarHBondContact O-N 3.29Å; I91-D222 VanDerWaalsContact O-N 3.15Å; D222-N226 WeakPolarHBondContact OD1-CA 3.48Å; D222-N226 PolarHBondContact OD1-N 3.43Å; D222-N226 WeakPolarHBondContact OD2-CA 3.39Å; D222-N226 PolarHBondContact OD2-N 3.05Å; D222-T227 WeakPolarHBondContact OD2-CB 3.37Å; D222-T227 WeakPolarHBondContact OD2-CG2 3.32Å; D222-T227 PolarHBondContact OD2-N 2.8Å; D222-T227 PolarHBondContact OD2-OG1 2.88Å |
| 223 | G | 86.1 | Confident | 89.7 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | 84.8 | -140.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A221 R225 N226 R233 S398 | A221-G223 VanDerWaalsContact C-N 3.28Å; A221-G223 PolarHBondContact O-N 3.28Å; G223-R225 PolarHBondContact O-N 3.1Å; G223-N226 PolarHBondContact O-N 3.25Å; G223-R233 PolarHBondContact O-NH2 2.95Å; G223-S398 WeakPolarHBondContact O-CA 3.35Å; G223-S398 WeakPolarHBondContact O-CB 3.35Å |
| 224 | R | 79.4 | Confident | 89.5 | Confident | 126 Ų | 126 | 50.8 Ų | 50.8 | 48% | 0.475 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -52.4 | -21.8 | -175.3 | 170.4 | 167.6 | -94.2 | -155.8 | -0.6 | 114.1 | R233 S372 H374 E401 | R224-R233 PolarHBondContact O-NH1 3.24Å; R224-S372 PolarHBondContact NH2-O 3.32Å; R224-H374 PolarHBondContact NH2-ND1 3.35Å; R224-E401 WeakPolarHBondContact CB-OE1 3.48Å; R224-E401 VanDerWaalsContact CG-OE1 3.29Å; R224-E401 WeakPolarHBondContact CG-OE1 3.37Å; R224-E401 IonicContact CZ-OE1 3.61Å; R224-E401 IonicContact CZ-OE2 2.76Å; R224-E401 IonicContact NE-OE1 3.6Å; R224-E401 PolarHBondContact NE-OE1 2.95Å; R224-E401 IonicContact NE-OE2 2.78Å; R224-E401 IonicContact NH2-OE1 2.75Å; R224-E401 PolarHBondContact NH2-OE1 3.42Å; R224-E401 IonicContact NH2-OE2 2.7Å; R224-E401 PolarHBondContact NH2-OE2 2.88Å |
| 225 | R | 71.9 | Confident | 89.2 | Confident | 207 Ų | 207 | 53.2 Ų | 53.2 | 78% | 0.781 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -84.1 | -21.1 | -175.9 | -92.5 | -175.2 | -90.3 | -145.4 | -6.8 | 116.8 | G223 T227 | G223-R225 PolarHBondContact O-N 3.1Å; R225-T227 PolarHBondContact O-N 3.13Å |
| 226 | N | 76.4 | Confident | 88.6 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | trans | 27.4 | 82.7 | -177.6 | -178.8 | 54.7 | 0 | 0 | 0 | 115.4 | D222 G223 L228 L394 | D222-N226 WeakPolarHBondContact OD1-CA 3.48Å; D222-N226 PolarHBondContact OD1-N 3.43Å; D222-N226 WeakPolarHBondContact OD2-CA 3.39Å; D222-N226 PolarHBondContact OD2-N 3.05Å; G223-N226 PolarHBondContact O-N 3.25Å; N226-L228 PolarHBondContact ND2-O 3.48Å; N226-L228 PolarHBondContact O-N 2.98Å; N226-L228 PolarHBondContact OD1-N 3.3Å; N226-L394 WeakPolarHBondContact OD1-CD2 3.34Å | ||
| 227 | T | 78.5 | Confident | 87.9 | Confident | 54 Ų | 54 | 62.1 Ų | 62.1 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | trans | -71.5 | -4.8 | 175.3 | 46 | 0 | 0 | 0 | 0 | 114.6 | D222 R225 | D222-T227 WeakPolarHBondContact OD2-CB 3.37Å; D222-T227 WeakPolarHBondContact OD2-CG2 3.32Å; D222-T227 PolarHBondContact OD2-N 2.8Å; D222-T227 PolarHBondContact OD2-OG1 2.88Å; R225-T227 PolarHBondContact O-N 3.13Å | ||
| 228 | L | 88.8 | Confident | 87.1 | Confident | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 31% | 0.313 | C | S | . | . | trans | -91 | 119.4 | 176.1 | -68.7 | 177.4 | 0 | 0 | 0 | 112.2 | I91 F182 L185 V218 N226 F231 V392 L394 | I91-L228 HydrophobicContact CD1-CD1 4.23Å; I91-L228 HydrophobicContact CD1-CD2 3.7Å; I91-L228 HydrophobicContact CD1-CG 3.93Å; F182-L228 HydrophobicContact CE1-CD2 4.08Å; F182-L228 HydrophobicContact CZ-CD2 3.86Å; L185-L228 HydrophobicContact CD2-CD2 4.42Å; L185-L228 HydrophobicContact CG-CD2 4.41Å; V218-L228 HydrophobicContact CG1-CD1 4.41Å; V218-L228 HydrophobicContact CG1-CD2 4.39Å; V218-L228 HydrophobicContact CG2-CD1 4.46Å; V218-L228 HydrophobicContact CG2-CD2 4.32Å; N226-L228 PolarHBondContact ND2-O 3.48Å; N226-L228 PolarHBondContact O-N 2.98Å; N226-L228 PolarHBondContact OD1-N 3.3Å; L228-F231 HydrophobicContact CB-CD2 4.04Å; L228-F231 HydrophobicContact CB-CE2 3.98Å; L228-F231 HydrophobicContact CD1-CE2 4.49Å; L228-V392 HydrophobicContact CD1-CG1 3.88Å; L228-L394 HydrophobicContact CB-CD2 4.35Å; L228-L394 HydrophobicContact CD1-CD2 4.13Å | ||
| 229 | E | 87.2 | Confident | 86.6 | Confident | 94 Ų | 94 | 73.3 Ų | 73.3 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 152.1 | 175.2 | -66.1 | 170.3 | 168.4 | 0 | 0 | 113.5 | R383 | E229-R383 VanDerWaalsContact CB-NH2 3.29Å; E229-R383 PolarHBondContact O-NH2 3.4Å; E229-R383 IonicContact OE2-NH1 3.8Å; E229-R383 IonicContact OE2-NH2 2.68Å; E229-R383 PolarHBondContact OE2-NH2 3.05Å |
| 230 | G | 85 | Confident | 86.1 | Confident | 54 Ų | 54 | 76.8 Ų | 76.8 | 56% | 0.557 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.1 | -21.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | K232 | G230-K232 PolarHBondContact O-N 3.18Š|
| 231 | F | 91.9 | Very high | 85.6 | Confident | 17 Ų | 17 | 77.5 Ų | 77.5 | 8% | 0.075 | 38% | 0.375 | C | S | . | . | trans | -82.9 | 108.7 | 173.7 | -61.5 | -78 | 0 | 0 | 0 | 111.3 | L228 N378 L381 V392 L394 | L228-F231 HydrophobicContact CB-CD2 4.04Å; L228-F231 HydrophobicContact CB-CE2 3.98Å; L228-F231 HydrophobicContact CD1-CE2 4.49Å; F231-N378 VanDerWaalsContact CD1-ND2 3.31Å; F231-N378 WeakPolarHBondContact CD1-ND2 3.42Å; F231-N378 VanDerWaalsContact CE1-ND2 3.33Å; F231-N378 WeakPolarHBondContact CE1-ND2 3.31Å; F231-L381 HydrophobicContact CD1-CD2 4.21Å; F231-L381 HydrophobicContact CD2-CD2 4.2Å; F231-L381 HydrophobicContact CE1-CD2 3.93Å; F231-L381 HydrophobicContact CE1-CG 4.17Å; F231-L381 HydrophobicContact CE2-CD2 3.93Å; F231-L381 HydrophobicContact CE2-CG 4.28Å; F231-L381 HydrophobicContact CG-CD2 4.34Å; F231-L381 HydrophobicContact CZ-CD2 3.78Å; F231-L381 HydrophobicContact CZ-CG 3.81Å; F231-V392 HydrophobicContact CE2-CB 4.48Å; F231-V392 HydrophobicContact CE2-CG1 3.51Å; F231-V392 HydrophobicContact CZ-CB 4.3Å; F231-V392 HydrophobicContact CZ-CG1 3.75Å; F231-L394 HydrophobicContact CB-CD1 3.78Å; F231-L394 HydrophobicContact CD1-CD1 3.69Å; F231-L394 HydrophobicContact CD1-CG 3.88Å; F231-L394 HydrophobicContact CD2-CD1 3.86Å; F231-L394 HydrophobicContact CD2-CD2 3.89Å; F231-L394 HydrophobicContact CD2-CG 3.86Å; F231-L394 HydrophobicContact CE1-CD1 4.23Å; F231-L394 HydrophobicContact CE1-CG 3.88Å; F231-L394 HydrophobicContact CE2-CD1 4.37Å; F231-L394 HydrophobicContact CE2-CD2 3.82Å; F231-L394 HydrophobicContact CE2-CG 3.86Å; F231-L394 HydrophobicContact CG-CD1 3.48Å; F231-L394 VanDerWaalsContact CG-CD1 3.48Å; F231-L394 HydrophobicContact CG-CD2 4.37Å; F231-L394 HydrophobicContact CG-CG 3.87Å; F231-L394 HydrophobicContact CZ-CD2 4.26Å; F231-L394 HydrophobicContact CZ-CG 3.88Å | ||
| 232 | K | 90.8 | Very high | 85.5 | Confident | 139 Ų | 139 | 77 Ų | 77 | 60% | 0.604 | 37% | 0.371 | S | S | * | . | trans | -75.4 | 147.7 | 169.6 | -69.7 | 169.4 | -177 | 168.6 | 0 | 109.7 | G230 S376 E377 | G230-K232 PolarHBondContact O-N 3.18Å; K232-S376 CarbonylContact O-C 3.46Å; K232-S376 WeakPolarHBondContact O-CA 3.45Å; K232-E377 HydrophobicContact CB-CB 4.23Å; K232-E377 HydrophobicContact CB-CG 3.65Å; K232-E377 WeakPolarHBondContact CB-OE2 3.22Å; K232-E377 WeakPolarHBondContact CD-OE2 3.13Å; K232-E377 PolarHBondContact O-N 2.87Å | ||
| 233 | R | 89.5 | Confident | 85.6 | Confident | 78 Ų | 78 | 74.8 Ų | 74.8 | 29% | 0.294 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136 | 178.4 | -75.3 | 179.2 | 155.4 | -162.1 | -6.8 | 112.2 | G223 R224 A375 S398 | G223-R233 PolarHBondContact O-NH2 2.95Å; R224-R233 PolarHBondContact O-NH1 3.24Å; R233-A375 CarbonylContact C-O 3.52Å; R233-A375 WeakPolarHBondContact CA-O 3.32Å; R233-S398 PolarHBondContact NH2-O 2.76Å |
| 234 | K | 89.6 | Confident | 86.1 | Confident | 91 Ų | 91 | 74.2 Ų | 74.2 | 40% | 0.396 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 120.8 | 168.1 | -74.3 | 173.2 | 172.8 | 99.5 | 0 | 108.5 | F236 H374 A375 E377 | K234-F236 HydrophobicContact CB-CD2 4.48Å; K234-F236 HydrophobicContact CB-CE2 3.74Å; K234-F236 HydrophobicContact CB-CZ 4.02Å; K234-F236 HydrophobicContact CD-CZ 4.33Å; K234-H374 WeakPolarHBondContact O-CA 3.45Å; K234-A375 PolarHBondContact N-O 2.96Å; K234-A375 PolarHBondContact O-N 2.8Å; K234-E377 HydrophobicContact CD-CG 4.36Å; K234-E377 WeakPolarHBondContact CE-OE1 3.39Å; K234-E377 HydrophobicContact CG-CG 4.05Å; K234-E377 VanDerWaalsContact NZ-CG 3.31Å; K234-E377 IonicContact NZ-OE1 2.72Å; K234-E377 PolarHBondContact NZ-OE1 3.49Å |
| 235 | E | 88.8 | Confident | 86.9 | Confident | 101 Ų | 101 | 68.3 Ų | 68.3 | 47% | 0.472 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.9 | 166.2 | -174.6 | -171 | 164.3 | 0 | 0 | 109.2 | R237 S372 | E235-R237 IonicContact OE1-NH1 2.64Å; E235-R237 PolarHBondContact OE1-NH1 3.11Å; E235-R237 VanDerWaalsContact OE1-NH1 3.08Å; E235-S372 WeakPolarHBondContact OE1-CB 3.36Å; E235-S372 PolarHBondContact OE1-OG 2.91Å |
| 236 | F | 83.6 | Confident | 88 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 50% | 0.496 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 92.1 | 170.2 | -62 | -89.5 | 0 | 0 | 0 | 107.7 | K234 M373 A375 | K234-F236 HydrophobicContact CB-CD2 4.48Å; K234-F236 HydrophobicContact CB-CE2 3.74Å; K234-F236 HydrophobicContact CB-CZ 4.02Å; K234-F236 HydrophobicContact CD-CZ 4.33Å; F236-M373 PolarHBondContact N-O 3.27Å; F236-M373 PolarHBondContact O-N 2.81Å; F236-A375 HydrophobicContact CE2-CB 3.92Å |
| 237 | R | 82.1 | Confident | 89 | Confident | 133 Ų | 133 | 57.3 Ų | 57.3 | 50% | 0.502 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 111.6 | -179.9 | -159.3 | 175.6 | -173.7 | 93.4 | 0 | 110.7 | E235 T371 S372 | E235-R237 IonicContact OE1-NH1 2.64Å; E235-R237 PolarHBondContact OE1-NH1 3.11Å; E235-R237 VanDerWaalsContact OE1-NH1 3.08Å; R237-T371 CarbonylContact C-O 3.53Å; R237-T371 WeakPolarHBondContact CA-O 3.49Å; R237-T371 HydrophobicContact CG-CG2 3.99Å; R237-S372 PolarHBondContact NH1-OG 2.96Å |
| 238 | G | 81.3 | Confident | 89.8 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 55% | 0.546 | 27% | 0.272 | S | S | . | . | trans | -87.8 | -155.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | T371 | G238-T371 PolarHBondContact N-O 3.27Š| ||
| 239 | K | 86.3 | Confident | 90.2 | Very high | 183 Ų | 183 | 57.8 Ų | 57.8 | 80% | 0.796 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -69.1 | 155.5 | 162.4 | -68 | -175.2 | 178 | -176.1 | 0 | 109.5 | A241 | K239-A241 PolarHBondContact O-N 2.78Å; K239-A241 VanDerWaalsContact O-N 3.1Å |
| 240 | L | 87.3 | Confident | 90.5 | Very high | 72 Ų | 72 | 54.2 Ų | 54.2 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | trans | -54.9 | 115.8 | 171.5 | 174.8 | 58.8 | 0 | 0 | 0 | 110.3 | I242 K304 T320 T371 | L240-I242 HydrophobicContact CD1-CD1 4.33Å; L240-I242 HydrophobicContact CD1-CG1 4.08Å; L240-K304 HydrophobicContact CD2-CB 3.73Å; L240-K304 HydrophobicContact CD2-CD 3.44Å; L240-K304 VanDerWaalsContact CD2-CD 3.44Å; L240-K304 HydrophobicContact CD2-CG 4.18Å; L240-T320 HydrophobicContact CD1-CG2 3.62Å; L240-T371 WeakPolarHBondContact CA-OG1 3.36Å; L240-T371 WeakPolarHBondContact CD1-OG1 3.48Å | ||
| 241 | A | 87.9 | Confident | 90.9 | Very high | 16 Ų | 16 | 57.3 Ų | 57.3 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | trans | -134 | 116.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | K239 F370 T371 | K239-A241 PolarHBondContact O-N 2.78Å; K239-A241 VanDerWaalsContact O-N 3.1Å; A241-F370 HydrophobicContact CB-CB 3.84Å; A241-F370 WeakPolarHBondContact O-CA 3.48Å; A241-F370 PolarHBondContact O-N 3.27Å; A241-T371 PolarHBondContact N-OG1 3.28Å; A241-T371 VanDerWaalsContact N-OG1 3.16Å; A241-T371 PolarHBondContact O-N 3.07Å | ||
| 242 | I | 93.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 116.5 | -178.8 | -60 | 166.8 | 0 | 0 | 0 | 107.5 | L240 T301 A302 K304 L307 L323 L324 M367 | L240-I242 HydrophobicContact CD1-CD1 4.33Å; L240-I242 HydrophobicContact CD1-CG1 4.08Å; I242-T301 CarbonylContact O-C 3.58Å; I242-T301 WeakPolarHBondContact O-CA 3.21Å; I242-A302 PolarHBondContact O-N 2.9Å; I242-K304 HydrophobicContact CD1-CB 4.07Å; I242-L307 HydrophobicContact CB-CD1 4.08Å; I242-L307 HydrophobicContact CD1-CD1 3.78Å; I242-L307 HydrophobicContact CG2-CD1 3.75Å; I242-L323 HydrophobicContact CD1-CD2 3.91Å; I242-L324 HydrophobicContact CD1-CD2 4.24Å; I242-L324 HydrophobicContact CG1-CD2 4.3Å; I242-L324 HydrophobicContact CG2-CD1 4.47Å; I242-L324 HydrophobicContact CG2-CD2 3.81Å; I242-M367 HydrophobicContact CG2-CE 3.63Å |
| 243 | A | 92.9 | Very high | 91 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 144 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111 | M300 T301 M367 F368 F370 | A243-M300 CarbonylContact C-O 3.51Å; A243-M300 WeakPolarHBondContact CA-O 3.4Å; A243-T301 HydrophobicContact CB-CG2 4.4Å; A243-M367 CarbonylContact O-C 3.55Å; A243-M367 VanDerWaalsContact O-CA 3.3Å; A243-M367 WeakPolarHBondContact O-CA 3.37Å; A243-F368 HydrophobicContact CB-CB 4.4Å; A243-F368 PolarHBondContact N-O 3.15Å; A243-F368 PolarHBondContact O-N 3.07Å; A243-F370 HydrophobicContact CB-CD1 4.08Å; A243-F370 HydrophobicContact CB-CD2 3.59Å; A243-F370 HydrophobicContact CB-CE1 3.89Å; A243-F370 HydrophobicContact CB-CE2 3.36Å; A243-F370 HydrophobicContact CB-CG 3.94Å; A243-F370 HydrophobicContact CB-CZ 3.53Å |
| 244 | I | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 129.3 | 171 | -54.5 | 177.5 | 0 | 0 | 0 | 107.2 | V299 M300 A302 L307 L334 Y337 A338 V365 A366 M367 | I244-V299 WeakPolarHBondContact O-CA 3.38Å; I244-M300 HydrophobicContact CB-CG 3.83Å; I244-M300 HydrophobicContact CB-SD 4.41Å; I244-M300 PolarHBondContact N-O 2.84Å; I244-M300 PolarHBondContact O-N 3.28Å; I244-A302 HydrophobicContact CD1-CB 4.21Å; I244-L307 HydrophobicContact CD1-CD2 3.83Å; I244-L334 HydrophobicContact CD1-CD1 3.88Å; I244-L334 HydrophobicContact CG1-CD1 4.36Å; I244-L334 HydrophobicContact CG2-CD1 3.94Å; I244-Y337 HydrophobicContact CD1-CD1 3.94Å; I244-Y337 HydrophobicContact CD1-CE1 3.89Å; I244-A338 HydrophobicContact CG2-CB 4.21Å; I244-V365 HydrophobicContact CG2-CG2 3.89Å; I244-A366 WeakPolarHBondContact CA-O 3.42Å; I244-M367 HydrophobicContact CD1-CE 4.49Å; I244-M367 HydrophobicContact CG1-CE 4.5Å; I244-M367 HydrophobicContact CG1-CG 4.26Å |
| 245 | T | 95.6 | Very high | 91.3 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.1 | 168.8 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | N124 Y297 F298 V299 V365 A366 F368 W404 | N124-T245 WeakPolarHBondContact ND2-CB 3.46Å; N124-T245 PolarHBondContact ND2-OG1 3.03Å; T245-Y297 HydrophobicContact CG2-CE2 4.26Å; T245-F298 CarbonylContact C-O 3.53Å; T245-F298 VanDerWaalsContact CA-O 3.29Å; T245-F298 WeakPolarHBondContact CA-O 3.35Å; T245-V299 HydrophobicContact CG2-CB 4.05Å; T245-V299 HydrophobicContact CG2-CG2 3.83Å; T245-V365 VanDerWaalsContact O-CA 3.3Å; T245-V365 WeakPolarHBondContact O-CA 3.34Å; T245-V365 WeakPolarHBondContact O-CG2 3.47Å; T245-A366 PolarHBondContact N-O 2.84Å; T245-A366 PolarHBondContact O-N 3.43Å; T245-F368 HydrophobicContact CG2-CD2 4.29Å; T245-F368 HydrophobicContact CG2-CE2 4.02Å; T245-W404 HydrophobicContact CG2-CE3 4.13Å; T245-W404 HydrophobicContact CG2-CZ3 3.87Å |
| 246 | A | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | F248 Y297 F298 A338 Y355 D364 V365 | A246-F248 HydrophobicContact CB-CE2 3.86Å; A246-F248 HydrophobicContact CB-CZ 4.07Å; A246-Y297 WeakPolarHBondContact O-CA 3.34Å; A246-F298 PolarHBondContact N-O 3.4Å; A246-F298 PolarHBondContact O-N 3.32Å; A246-A338 HydrophobicContact CB-CB 4.15Å; A246-Y355 HydrophobicContact CB-CE1 4.13Å; A246-D364 WeakPolarHBondContact CA-O 3.12Å; A246-V365 HydrophobicContact CB-CG2 4.23Å |
| 247 | N | 96.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 120.1 | 173.3 | -67.1 | -84.8 | 0 | 0 | 0 | 109.7 | N124 T295 Y297 A356 D364 | N124-N247 PolarHBondContact OD1-ND2 2.98Å; N247-T295 HydrophobicContact CB-CG2 4.03Å; N247-T295 PolarHBondContact OD1-OG1 2.8Å; N247-Y297 WeakPolarHBondContact OD1-CD2 3.21Å; N247-A356 HydrophobicContact CB-CB 4.01Å; N247-A356 WeakPolarHBondContact O-CB 3.37Å; N247-A356 PolarHBondContact O-N 3.44Å; N247-D364 HydrophobicContact CB-CB 4.03Å; N247-D364 PolarHBondContact N-O 3.08Å; N247-D364 PolarHBondContact ND2-OD1 2.93Å; N247-D364 PolarHBondContact ND2-OD2 2.95Å |
| 248 | F | 96.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 156.3 | 171.7 | -50.8 | -88.9 | 0 | 0 | 0 | 111.2 | A246 N250 T295 H296 F298 R339 A342 L353 D354 Y355 | A246-F248 HydrophobicContact CB-CE2 3.86Å; A246-F248 HydrophobicContact CB-CZ 4.07Å; F248-N250 PolarHBondContact O-N 3Å; F248-T295 CarbonylContact O-C 3.52Å; F248-T295 VanDerWaalsContact O-CA 3.26Å; F248-T295 WeakPolarHBondContact O-CA 3.49Å; F248-T295 VanDerWaalsContact O-CB 3.3Å; F248-T295 WeakPolarHBondContact O-CB 3.33Å; F248-H296 HydrophobicContact CB-CB 4.21Å; F248-H296 PolarHBondContact N-O 3.49Å; F248-H296 PolarHBondContact O-N 3.27Å; F248-F298 AromaticContact CD2-CD2 3.71Å; F248-F298 HydrophobicContact CD2-CD2 3.71Å; F248-F298 AromaticContact CD2-CE2 3.81Å; F248-F298 HydrophobicContact CD2-CE2 3.81Å; F248-F298 AromaticContact CE2-CD2 3.62Å; F248-F298 HydrophobicContact CE2-CD2 3.62Å; F248-F298 AromaticContact CE2-CE2 3.94Å; F248-F298 HydrophobicContact CE2-CE2 3.94Å; F248-F298 HydrophobicContact CE2-CG 4.44Å; F248-R339 HydrophobicContact CE1-CB 4.36Å; F248-R339 HydrophobicContact CE1-CG 4.43Å; F248-R339 HydrophobicContact CZ-CB 4.5Å; F248-A342 HydrophobicContact CE2-CB 3.61Å; F248-A342 HydrophobicContact CZ-CB 3.94Å; F248-L353 HydrophobicContact CB-CD2 4.25Å; F248-L353 HydrophobicContact CD1-CB 3.86Å; F248-L353 HydrophobicContact CD1-CD2 4.06Å; F248-L353 HydrophobicContact CD2-CD2 3.9Å; F248-L353 HydrophobicContact CE1-CB 3.96Å; F248-L353 HydrophobicContact CE1-CD2 4.36Å; F248-L353 HydrophobicContact CE2-CD2 4.23Å; F248-L353 HydrophobicContact CG-CB 4.46Å; F248-L353 HydrophobicContact CG-CD2 3.81Å; F248-L353 HydrophobicContact CZ-CD2 4.45Å; F248-D354 CarbonylContact C-O 3.58Å; F248-D354 WeakPolarHBondContact CA-O 3.27Å; F248-D354 VanDerWaalsContact CB-O 3.29Å; F248-D354 WeakPolarHBondContact CB-O 3.41Å; F248-Y355 HydrophobicContact CD1-CD1 4.11Å; F248-Y355 HydrophobicContact CD1-CD2 4.48Å; F248-Y355 HydrophobicContact CD1-CE1 4.09Å; F248-Y355 HydrophobicContact CD1-CE2 4.46Å; F248-Y355 HydrophobicContact CD1-CG 4.3Å; F248-Y355 AromaticContact CE1-CD1 3.97Å; F248-Y355 HydrophobicContact CE1-CD1 3.97Å; F248-Y355 HydrophobicContact CE1-CD2 4.22Å; F248-Y355 AromaticContact CE1-CE1 3.49Å; F248-Y355 HydrophobicContact CE1-CE1 3.49Å; F248-Y355 VanDerWaalsContact CE1-CE1 3.49Å; F248-Y355 AromaticContact CE1-CE2 3.76Å; F248-Y355 HydrophobicContact CE1-CE2 3.76Å; F248-Y355 HydrophobicContact CE1-CG 4.3Å; F248-Y355 AromaticContact CE1-CZ 3.36Å; F248-Y355 AromaticContact CZ-CE1 3.85Å; F248-Y355 HydrophobicContact CZ-CE1 3.85Å; F248-Y355 AromaticContact CZ-CZ 3.82Å |
| 249 | I | 95.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 35% | 0.349 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 117.4 | -178.5 | -58.9 | 175.5 | 0 | 0 | 0 | 109.8 | R251 D354 | I249-R251 HydrophobicContact CG2-CG 4.07Å; I249-D354 HydrophobicContact CD1-CB 4.1Å; I249-D354 HydrophobicContact CG1-CB 4.46Å; I249-D354 PolarHBondContact N-O 2.72Å |
| 250 | N | 93.9 | Very high | 92.9 | Very high | 18 Ų | 18 | 48 Ų | 48 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | trans | -87.9 | 108.1 | 170.1 | -179.6 | 4 | 0 | 0 | 0 | 110 | F248 N252 D293 H296 | F248-N250 PolarHBondContact O-N 3Å; N250-N252 PolarHBondContact O-N 3.16Å; N250-N252 PolarHBondContact O-ND2 2.83Å; N250-N252 WeakPolarHBondContact OD1-CA 3.33Å; N250-N252 PolarHBondContact OD1-N 3.46Å; N250-D293 PolarHBondContact ND2-O 2.99Å; N250-H296 WeakPolarHBondContact CA-NE2 3.46Å; N250-H296 PolarHBondContact OD1-CE1 3.29Å | ||
| 251 | R | 93.2 | Very high | 93 | Very high | 119 Ų | 119 | 47.5 Ų | 47.5 | 45% | 0.449 | 25% | 0.253 | S | S | . | . | trans | -83.1 | 0.2 | 178.6 | -64.6 | -178.8 | 171.2 | 93.7 | -3.1 | 113 | I249 T253 E256 T352 D354 | I249-R251 HydrophobicContact CG2-CG 4.07Å; R251-T253 HydrophobicContact CB-CG2 4.11Å; R251-T253 PolarHBondContact O-N 2.99Å; R251-E256 WeakPolarHBondContact CB-OE2 3.36Å; R251-E256 PolarHBondContact N-OE1 3.28Å; R251-E256 PolarHBondContact N-OE2 3.07Å; R251-T352 PolarHBondContact NH1-OG1 3.37Å; R251-D354 IonicContact CZ-OD2 3.52Å; R251-D354 IonicContact NH1-OD2 3.6Å; R251-D354 PolarHBondContact NH1-OD2 3.18Å; R251-D354 IonicContact NH2-OD2 2.71Å; R251-D354 PolarHBondContact NH2-OD2 2.99Å | ||
| 252 | N | 91.1 | Very high | 92.9 | Very high | 93 Ų | 93 | 47.9 Ų | 47.9 | 50% | 0.497 | 25% | 0.253 | S | S | . | . | trans | 57.9 | 28.3 | 178.1 | -61 | -119.2 | 0 | 0 | 0 | 112.8 | K147 N250 E256 | K147-N252 PolarHBondContact NZ-OD1 3.21Å; K147-N252 VanDerWaalsContact NZ-OD1 3.08Å; N250-N252 PolarHBondContact O-N 3.16Å; N250-N252 PolarHBondContact O-ND2 2.83Å; N250-N252 WeakPolarHBondContact OD1-CA 3.33Å; N250-N252 PolarHBondContact OD1-N 3.46Å; N252-E256 PolarHBondContact N-OE2 3.21Å | ||
| 253 | T | 94.4 | Very high | 91.9 | Very high | 56 Ų | 56 | 52 Ų | 52 | 34% | 0.344 | 28% | 0.281 | S | S | . | . | trans | -71.1 | 162.2 | 176.6 | 65.7 | 0 | 0 | 0 | 0 | 112.4 | R251 A255 E256 A257 | R251-T253 HydrophobicContact CB-CG2 4.11Å; R251-T253 PolarHBondContact O-N 2.99Å; T253-A255 PolarHBondContact O-N 2.98Å; T253-E256 VanDerWaalsContact CB-OE2 3.24Å; T253-E256 WeakPolarHBondContact CB-OE2 3.31Å; T253-E256 VanDerWaalsContact CG2-OE2 3.29Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.26Å; T253-E256 PolarHBondContact N-OE2 3.41Å; T253-E256 PolarHBondContact O-N 3.45Å; T253-E256 WeakPolarHBondContact OG1-CG 3.33Å; T253-E256 PolarHBondContact OG1-N 3.17Å; T253-E256 PolarHBondContact OG1-OE2 3.3Å; T253-A257 VanDerWaalsContact O-CB 3.27Å; T253-A257 WeakPolarHBondContact O-CB 3.22Å; T253-A257 PolarHBondContact O-N 3Å | ||
| 254 | T | 93 | Very high | 90.6 | Very high | 118 Ų | 118 | 53 Ų | 53 | 72% | 0.724 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -13 | 177.3 | 55.1 | 0 | 0 | 0 | 0 | 114.2 | K258 | T254-K258 WeakPolarHBondContact O-CD 3.44Å; T254-K258 WeakPolarHBondContact O-CE 3.45Å; T254-K258 WeakPolarHBondContact O-CG 3.45Å |
| 255 | A | 91.8 | Very high | 88.9 | Confident | 43 Ų | 43 | 55 Ų | 55 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -57.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | T253 A257 K258 P351 | T253-A255 PolarHBondContact O-N 2.98Å; A255-A257 PolarHBondContact O-N 2.93Å; A255-K258 WeakPolarHBondContact O-CB 3.45Å; A255-K258 PolarHBondContact O-N 2.87Å; A255-P351 HydrophobicContact CB-CG 3.73Å |
| 256 | E | 92.7 | Very high | 87.3 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 1% | 0.014 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -53.5 | -39.5 | 175.3 | -67.7 | 165.1 | 109.4 | 0 | 0 | 112.2 | R251 N252 T253 K258 V259 K292 H296 L350 | R251-E256 WeakPolarHBondContact CB-OE2 3.36Å; R251-E256 PolarHBondContact N-OE1 3.28Å; R251-E256 PolarHBondContact N-OE2 3.07Å; N252-E256 PolarHBondContact N-OE2 3.21Å; T253-E256 VanDerWaalsContact CB-OE2 3.24Å; T253-E256 WeakPolarHBondContact CB-OE2 3.31Å; T253-E256 VanDerWaalsContact CG2-OE2 3.29Å; T253-E256 WeakPolarHBondContact CG2-OE2 3.26Å; T253-E256 PolarHBondContact N-OE2 3.41Å; T253-E256 PolarHBondContact O-N 3.45Å; T253-E256 WeakPolarHBondContact OG1-CG 3.33Å; T253-E256 PolarHBondContact OG1-N 3.17Å; T253-E256 PolarHBondContact OG1-OE2 3.3Å; E256-K258 PolarHBondContact O-N 3.07Å; E256-V259 PolarHBondContact O-N 2.67Å; E256-K292 WeakPolarHBondContact O-CE 3.29Å; E256-K292 PolarHBondContact O-NZ 3.22Å; E256-H296 IonicContact OE1-CD2 3.23Å; E256-H296 IonicContact OE1-CE1 3.89Å; E256-H296 IonicContact OE1-NE2 2.83Å; E256-H296 PolarHBondContact OE1-NE2 3.32Å; E256-L350 HydrophobicContact CB-CD2 4.42Å; E256-L350 HydrophobicContact CG-CD2 4.14Å |
| 257 | A | 90.1 | Very high | 85.7 | Confident | 66 Ų | 66 | 58.7 Ų | 58.7 | 55% | 0.545 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -60.2 | -29.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | T253 A255 K292 | T253-A257 VanDerWaalsContact O-CB 3.27Å; T253-A257 WeakPolarHBondContact O-CB 3.22Å; T253-A257 PolarHBondContact O-N 3Å; A255-A257 PolarHBondContact O-N 2.93Å; A257-K292 VanDerWaalsContact C-NZ 3.34Å; A257-K292 PolarHBondContact O-NZ 3.46Å |
| 258 | K | 91.5 | Very high | 84.3 | Confident | 164 Ų | 164 | 64 Ų | 64 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -81.5 | -26.8 | -178 | -71.9 | 170.8 | -177.1 | 179.4 | 0 | 114.6 | T254 A255 E256 E260 | T254-K258 WeakPolarHBondContact O-CD 3.44Å; T254-K258 WeakPolarHBondContact O-CE 3.45Å; T254-K258 WeakPolarHBondContact O-CG 3.45Å; A255-K258 WeakPolarHBondContact O-CB 3.45Å; A255-K258 PolarHBondContact O-N 2.87Å; E256-K258 PolarHBondContact O-N 3.07Å; K258-E260 PolarHBondContact O-N 2.95Å |
| 259 | V | 91.9 | Very high | 83.1 | Confident | 5 Ų | 5 | 69.5 Ų | 69.5 | 3% | 0.03 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -59.9 | 127.9 | -177.1 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | E256 Y290 K292 T346 Q349 L350 | E256-V259 PolarHBondContact O-N 2.67Å; V259-Y290 HydrophobicContact CG1-CE1 3.92Å; V259-K292 WeakPolarHBondContact O-CE 3.47Å; V259-K292 PolarHBondContact O-NZ 2.8Å; V259-T346 HydrophobicContact CG1-CG2 3.84Å; V259-Q349 HydrophobicContact CG1-CB 4.2Å; V259-Q349 HydrophobicContact CG2-CB 3.71Å; V259-L350 HydrophobicContact CB-CD2 4.45Å; V259-L350 HydrophobicContact CG1-CG 4.49Å; V259-L350 HydrophobicContact CG2-CD2 3.9Å; V259-L350 HydrophobicContact CG2-CG 4.26Å |
| 260 | E | 89.5 | Confident | 82.5 | Confident | 166 Ų | 166 | 69.5 Ų | 69.5 | 78% | 0.776 | 38% | 0.376 | S | S | * | . | P | Polyproline II helix | trans | -73.4 | 148.7 | -179 | -62 | -169.5 | 159 | 0 | 0 | 112 | K258 Y290 | K258-E260 PolarHBondContact O-N 2.95Å; E260-Y290 WeakPolarHBondContact O-CD1 3.45Å; E260-Y290 VanDerWaalsContact O-CE1 3.28Å; E260-Y290 WeakPolarHBondContact O-CE1 3.4Å |
| 261 | E | 90.4 | Very high | 82.1 | Confident | 61 Ų | 61 | 73.8 Ų | 73.8 | 29% | 0.285 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -81.1 | 149.6 | 177.2 | -65.8 | -166.2 | 149.8 | 0 | 0 | 111.6 | H155 K292 | H155-E261 IonicContact CD2-OE2 2.75Å; H155-E261 IonicContact CE1-OE1 2.85Å; H155-E261 PolarHBondContact CE1-OE1 3.5Å; H155-E261 VanDerWaalsContact CE1-OE1 3.28Å; H155-E261 IonicContact NE2-OE1 3.85Å; H155-E261 PolarHBondContact NE2-OE1 3.43Å; H155-E261 IonicContact NE2-OE2 3.01Å; H155-E261 PolarHBondContact NE2-OE2 2.92Å; E261-K292 HydrophobicContact CG-CB 4.29Å; E261-K292 WeakPolarHBondContact OE1-CA 3.43Å; E261-K292 VanDerWaalsContact OE1-CB 3.25Å; E261-K292 WeakPolarHBondContact OE1-CB 3.35Å; E261-K292 PolarHBondContact OE1-N 3.01Å |
| 262 | I | 85.9 | Confident | 81.9 | Confident | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.118 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 88.2 | -178.3 | -51.5 | 167.8 | 0 | 0 | 0 | 108.6 | G264 V265 I288 V289 Y290 G345 | I262-G264 VanDerWaalsContact C-N 3.26Å; I262-G264 PolarHBondContact O-N 3.24Å; I262-V265 HydrophobicContact CG2-CB 3.67Å; I262-V265 HydrophobicContact CG2-CG2 3.45Å; I262-V265 VanDerWaalsContact CG2-CG2 3.45Å; I262-I288 HydrophobicContact CG2-CG2 4.43Å; I262-I288 WeakPolarHBondContact CG2-O 3.38Å; I262-V289 WeakPolarHBondContact O-CA 3.42Å; I262-V289 WeakPolarHBondContact O-CG1 3.25Å; I262-Y290 HydrophobicContact CD1-CD1 4.39Å; I262-Y290 HydrophobicContact CG1-CD1 4.18Å; I262-Y290 PolarHBondContact N-O 3.23Å; I262-Y290 PolarHBondContact O-N 3.03Å; I262-Y290 VanDerWaalsContact O-N 3.13Å; I262-G345 VanDerWaalsContact CD1-O 3.24Å; I262-G345 WeakPolarHBondContact CD1-O 3.28Å |
| 263 | S | 72.1 | Confident | 81.8 | Confident | 87 Ų | 87 | 71.9 Ų | 71.9 | 61% | 0.608 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 68.3 | -179.1 | -48.2 | 0 | 0 | 0 | 0 | 112.8 | ||
| 264 | G | 64.6 | Low | 81.7 | Confident | 23 Ų | 23 | 69.3 Ų | 69.3 | 24% | 0.237 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.3 | 51.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I262 A266 | I262-G264 VanDerWaalsContact C-N 3.26Å; I262-G264 PolarHBondContact O-N 3.24Å; G264-A266 VanDerWaalsContact C-N 3.31Å; G264-A266 PolarHBondContact O-N 2.91Å |
| 265 | V | 59.9 | Low | 81.7 | Confident | 41 Ų | 41 | 68.4 Ų | 68.4 | 25% | 0.248 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 86.9 | 175.3 | 176.1 | 0 | 0 | 0 | 0 | 109 | I262 N270 F274 N287 I288 | I262-V265 HydrophobicContact CG2-CB 3.67Å; I262-V265 HydrophobicContact CG2-CG2 3.45Å; I262-V265 VanDerWaalsContact CG2-CG2 3.45Å; V265-N270 HydrophobicContact CG1-CB 3.65Å; V265-F274 HydrophobicContact CG1-CE2 4.1Å; V265-F274 WeakPolarHBondContact O-CE2 3.3Å; V265-F274 WeakPolarHBondContact O-CZ 3.39Å; V265-N287 VanDerWaalsContact C-OD1 3.24Å; V265-N287 PolarHBondContact O-OD1 3.29Å; V265-N287 VanDerWaalsContact O-OD1 3.11Å; V265-I288 PolarHBondContact N-O 3.24Å; V265-I288 PolarHBondContact O-N 3.32Å |
| 266 | A | 63.4 | Low | 81.8 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 150.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G264 I268 F269 N270 N287 | G264-A266 VanDerWaalsContact C-N 3.31Å; G264-A266 PolarHBondContact O-N 2.91Å; A266-I268 PolarHBondContact O-N 2.87Å; A266-F269 HydrophobicContact CB-CD2 4.09Å; A266-F269 HydrophobicContact CB-CE2 4.4Å; A266-F269 PolarHBondContact O-N 2.89Å; A266-N270 PolarHBondContact O-N 2.98Å; A266-N287 HydrophobicContact CB-CB 4.45Å; A266-N287 PolarHBondContact N-OD1 3.21Å |
| 267 | F | 61.9 | Low | 81.8 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 27% | 0.268 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -38.1 | 179.5 | -178.7 | -88.3 | 0 | 0 | 0 | 113.1 | F269 N270 Q271 F274 E286 | F267-F269 PolarHBondContact O-N 3.34Å; F267-F269 VanDerWaalsContact O-N 3.15Å; F267-N270 PolarHBondContact O-N 2.9Å; F267-Q271 HydrophobicContact CD1-CG 4.05Å; F267-Q271 HydrophobicContact CE1-CB 4.38Å; F267-Q271 HydrophobicContact CE1-CG 3.73Å; F267-Q271 HydrophobicContact CZ-CB 4.2Å; F267-Q271 HydrophobicContact CZ-CG 4.06Å; F267-Q271 WeakPolarHBondContact O-CA 3.5Å; F267-Q271 WeakPolarHBondContact O-CG 3.45Å; F267-Q271 PolarHBondContact O-N 2.66Å; F267-F274 HydrophobicContact CB-CD2 4.06Å; F267-F274 HydrophobicContact CB-CE2 4.31Å; F267-F274 HydrophobicContact CD2-CB 3.5Å; F267-F274 VanDerWaalsContact CD2-CB 3.5Å; F267-F274 AromaticContact CD2-CD2 3.92Å; F267-F274 HydrophobicContact CD2-CD2 3.92Å; F267-F274 AromaticContact CD2-CG 3.84Å; F267-F274 HydrophobicContact CD2-CG 3.84Å; F267-F274 HydrophobicContact CE2-CB 3.83Å; F267-F274 HydrophobicContact CG-CD2 4.4Å; F267-E286 VanDerWaalsContact CB-O 3.32Å; F267-E286 WeakPolarHBondContact CB-O 3.32Å; F267-E286 PolarHBondContact N-O 3.06Å |
| 268 | I | 67.8 | Low | 82 | Confident | 110 Ų | 110 | 70.4 Ų | 70.4 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | -34.5 | 179.4 | -60.6 | 170.2 | 0 | 0 | 0 | 112.5 | A266 | A266-I268 PolarHBondContact O-N 2.87Š|
| 269 | F | 70.1 | Confident | 82.2 | Confident | 116 Ų | 116 | 70.9 Ų | 70.9 | 51% | 0.509 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -30.3 | -174 | -59.5 | -67.2 | 0 | 0 | 0 | 114.3 | A266 F267 L716 | A266-F269 HydrophobicContact CB-CD2 4.09Å; A266-F269 HydrophobicContact CB-CE2 4.4Å; A266-F269 PolarHBondContact O-N 2.89Å; F267-F269 PolarHBondContact O-N 3.34Å; F267-F269 VanDerWaalsContact O-N 3.15Å; F269-L716 HydrophobicContact CE1-CD1 3.75Å; F269-L716 HydrophobicContact CZ-CD1 4.12Å |
| 270 | N | 82.4 | Confident | 82.3 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 37% | 0.369 | 38% | 0.383 | S | S | . | . | trans | -136.1 | 63.1 | -179 | -166.7 | -1.7 | 0 | 0 | 0 | 111.5 | V265 A266 F267 K272 F273 F274 | V265-N270 HydrophobicContact CG1-CB 3.65Å; A266-N270 PolarHBondContact O-N 2.98Å; F267-N270 PolarHBondContact O-N 2.9Å; N270-K272 PolarHBondContact O-N 3.37Å; N270-F273 HydrophobicContact CB-CB 4.34Å; N270-F273 VanDerWaalsContact CG-CB 3.46Å; N270-F273 VanDerWaalsContact ND2-CB 3.33Å; N270-F273 WeakPolarHBondContact ND2-CB 3.16Å; N270-F273 PolarHBondContact O-N 2.65Å; N270-F273 PolarHBondContact OD1-N 2.69Å; N270-F274 WeakPolarHBondContact O-CD2 3.46Å | ||
| 271 | Q | 85.9 | Confident | 82.5 | Confident | 108 Ų | 108 | 69.2 Ų | 69.2 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -56.1 | -36.1 | -178.5 | -63.1 | -179.9 | 24.1 | 0 | 0 | 112.3 | F267 F274 L275 | F267-Q271 HydrophobicContact CD1-CG 4.05Å; F267-Q271 HydrophobicContact CE1-CB 4.38Å; F267-Q271 HydrophobicContact CE1-CG 3.73Å; F267-Q271 HydrophobicContact CZ-CB 4.2Å; F267-Q271 HydrophobicContact CZ-CG 4.06Å; F267-Q271 WeakPolarHBondContact O-CA 3.5Å; F267-Q271 WeakPolarHBondContact O-CG 3.45Å; F267-Q271 PolarHBondContact O-N 2.66Å; Q271-F274 PolarHBondContact O-N 2.95Å; Q271-L275 WeakPolarHBondContact O-CG 3.41Å; Q271-L275 PolarHBondContact O-N 3.21Å |
| 272 | K | 89.6 | Confident | 82.7 | Confident | 143 Ų | 143 | 68 Ų | 68 | 62% | 0.622 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59 | -53.8 | 178.7 | 177 | 167.1 | 175 | 169.8 | 0 | 111.4 | N270 F274 L275 D276 | N270-K272 PolarHBondContact O-N 3.37Å; K272-F274 PolarHBondContact O-N 3.49Å; K272-F274 VanDerWaalsContact O-N 3.11Å; K272-L275 PolarHBondContact O-N 2.9Å; K272-D276 VanDerWaalsContact CE-CG 3.48Å; K272-D276 VanDerWaalsContact CE-OD1 3.31Å; K272-D276 WeakPolarHBondContact CE-OD1 3.5Å; K272-D276 WeakPolarHBondContact CE-OD2 3.43Å; K272-D276 WeakPolarHBondContact CG-OD1 3.45Å; K272-D276 VanDerWaalsContact CG-OD2 3.32Å; K272-D276 WeakPolarHBondContact CG-OD2 3.43Å; K272-D276 IonicContact NZ-OD2 3.3Å; K272-D276 WeakPolarHBondContact O-CB 3.38Å; K272-D276 PolarHBondContact O-N 3.44Å |
| 273 | F | 89.9 | Confident | 83.2 | Confident | 29 Ų | 29 | 66.9 Ų | 66.9 | 13% | 0.127 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -52 | -38.4 | 179.4 | 164.7 | -90.9 | 0 | 0 | 0 | 113.4 | N270 L277 I288 F344 | N270-F273 HydrophobicContact CB-CB 4.34Å; N270-F273 VanDerWaalsContact CG-CB 3.46Å; N270-F273 VanDerWaalsContact ND2-CB 3.33Å; N270-F273 WeakPolarHBondContact ND2-CB 3.16Å; N270-F273 PolarHBondContact O-N 2.65Å; N270-F273 PolarHBondContact OD1-N 2.69Å; F273-L277 VanDerWaalsContact O-CB 3.23Å; F273-L277 WeakPolarHBondContact O-CB 3.46Å; F273-L277 PolarHBondContact O-N 3.47Å; F273-I288 HydrophobicContact CE1-CG2 3.72Å; F273-I288 HydrophobicContact CZ-CG2 4.05Å; F273-F344 HydrophobicContact CD2-CD1 4.39Å; F273-F344 AromaticContact CD2-CE1 3.77Å; F273-F344 HydrophobicContact CD2-CE1 3.77Å; F273-F344 AromaticContact CE2-CD1 3.68Å; F273-F344 HydrophobicContact CE2-CD1 3.68Å; F273-F344 AromaticContact CE2-CE1 3.52Å; F273-F344 HydrophobicContact CE2-CE1 3.52Å; F273-F344 HydrophobicContact CZ-CD1 4.03Å; F273-F344 HydrophobicContact CZ-CE1 4.12Å |
| 274 | F | 91.9 | Very high | 84.3 | Confident | 1 Ų | 1 | 63.8 Ų | 63.8 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -79.7 | -26.1 | 178.6 | -71.1 | -73.8 | 0 | 0 | 0 | 114.5 | V265 F267 N270 Q271 K272 L277 K278 L285 I288 | V265-F274 HydrophobicContact CG1-CE2 4.1Å; V265-F274 WeakPolarHBondContact O-CE2 3.3Å; V265-F274 WeakPolarHBondContact O-CZ 3.39Å; F267-F274 HydrophobicContact CB-CD2 4.06Å; F267-F274 HydrophobicContact CB-CE2 4.31Å; F267-F274 HydrophobicContact CD2-CB 3.5Å; F267-F274 VanDerWaalsContact CD2-CB 3.5Å; F267-F274 AromaticContact CD2-CD2 3.92Å; F267-F274 HydrophobicContact CD2-CD2 3.92Å; F267-F274 AromaticContact CD2-CG 3.84Å; F267-F274 HydrophobicContact CD2-CG 3.84Å; F267-F274 HydrophobicContact CE2-CB 3.83Å; F267-F274 HydrophobicContact CG-CD2 4.4Å; N270-F274 WeakPolarHBondContact O-CD2 3.46Å; Q271-F274 PolarHBondContact O-N 2.95Å; K272-F274 PolarHBondContact O-N 3.49Å; K272-F274 VanDerWaalsContact O-N 3.11Å; F274-L277 HydrophobicContact CD1-CD2 4.24Å; F274-K278 WeakPolarHBondContact O-CB 3.27Å; F274-K278 PolarHBondContact O-N 3.16Å; F274-L285 HydrophobicContact CD1-CB 3.85Å; F274-L285 HydrophobicContact CE1-CB 3.69Å; F274-L285 HydrophobicContact CE1-CD1 4.36Å; F274-I288 HydrophobicContact CE1-CG2 4.14Å; F274-I288 HydrophobicContact CZ-CG2 3.97Å |
| 275 | L | 92.4 | Very high | 85.6 | Confident | 99 Ų | 99 | 62.7 Ų | 62.7 | 52% | 0.518 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.8 | -47.3 | 171 | -69.1 | 169.4 | 0 | 0 | 0 | 110 | Q271 K272 L277 K278 E279 | Q271-L275 WeakPolarHBondContact O-CG 3.41Å; Q271-L275 PolarHBondContact O-N 3.21Å; K272-L275 PolarHBondContact O-N 2.9Å; L275-L277 PolarHBondContact O-N 2.91Å; L275-K278 PolarHBondContact O-N 2.88Å; L275-K278 VanDerWaalsContact O-N 3.12Å; L275-E279 PolarHBondContact O-N 2.88Å |
| 276 | D | 93.6 | Very high | 87.1 | Confident | 61 Ų | 61 | 64.9 Ų | 64.9 | 33% | 0.326 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.6 | -47.7 | 175 | -60.6 | -1.2 | 0 | 0 | 0 | 110.7 | K272 K278 E279 E280 F344 | K272-D276 VanDerWaalsContact CE-CG 3.48Å; K272-D276 VanDerWaalsContact CE-OD1 3.31Å; K272-D276 WeakPolarHBondContact CE-OD1 3.5Å; K272-D276 WeakPolarHBondContact CE-OD2 3.43Å; K272-D276 WeakPolarHBondContact CG-OD1 3.45Å; K272-D276 VanDerWaalsContact CG-OD2 3.32Å; K272-D276 WeakPolarHBondContact CG-OD2 3.43Å; K272-D276 IonicContact NZ-OD2 3.3Å; K272-D276 WeakPolarHBondContact O-CB 3.38Å; K272-D276 PolarHBondContact O-N 3.44Å; D276-K278 VanDerWaalsContact C-N 3.31Å; D276-K278 PolarHBondContact O-N 2.88Å; D276-E279 PolarHBondContact O-N 2.9Å; D276-E280 PolarHBondContact O-N 3.29Å; D276-F344 HydrophobicContact CB-CZ 4.01Å |
| 277 | L | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.005 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -53.6 | -47.7 | 173.4 | 173.6 | 67.4 | 0 | 0 | 0 | 111.3 | F273 F274 L275 T281 I283 L285 F344 | F273-L277 VanDerWaalsContact O-CB 3.23Å; F273-L277 WeakPolarHBondContact O-CB 3.46Å; F273-L277 PolarHBondContact O-N 3.47Å; F274-L277 HydrophobicContact CD1-CD2 4.24Å; L275-L277 PolarHBondContact O-N 2.91Å; L277-T281 HydrophobicContact CD1-CG2 3.97Å; L277-T281 WeakPolarHBondContact CD1-OG1 3.27Å; L277-T281 WeakPolarHBondContact O-CB 3.42Å; L277-T281 PolarHBondContact O-N 2.82Å; L277-T281 PolarHBondContact O-OG1 2.91Å; L277-I283 HydrophobicContact CD1-CB 4.39Å; L277-I283 HydrophobicContact CD2-CG2 4.15Å; L277-I283 HydrophobicContact CG-CB 4.3Å; L277-I283 HydrophobicContact CG-CG2 4.47Å; L277-L285 HydrophobicContact CD2-CD1 3.76Å; L277-L285 HydrophobicContact CD2-CG 4.03Å; L277-F344 HydrophobicContact CB-CD1 3.87Å; L277-F344 HydrophobicContact CB-CE1 3.56Å; L277-F344 HydrophobicContact CB-CZ 4.03Å; L277-F344 HydrophobicContact CD1-CB 3.81Å; L277-F344 HydrophobicContact CD1-CD1 3.44Å; L277-F344 VanDerWaalsContact CD1-CD1 3.44Å; L277-F344 HydrophobicContact CD1-CD2 4.28Å; L277-F344 HydrophobicContact CD1-CE1 4.07Å; L277-F344 HydrophobicContact CD1-CG 3.57Å; L277-F344 HydrophobicContact CG-CD1 4.19Å; L277-F344 HydrophobicContact CG-CE1 4.39Å |
| 278 | K | 94.4 | Very high | 89.8 | Confident | 93 Ų | 93 | 62 Ų | 62 | 40% | 0.404 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.8 | -34.3 | -177.7 | -172.9 | 177.9 | -174.5 | 170.3 | 0 | 112.4 | F274 L275 D276 G282 I283 D284 | F274-K278 WeakPolarHBondContact O-CB 3.27Å; F274-K278 PolarHBondContact O-N 3.16Å; L275-K278 PolarHBondContact O-N 2.88Å; L275-K278 VanDerWaalsContact O-N 3.12Å; D276-K278 VanDerWaalsContact C-N 3.31Å; D276-K278 PolarHBondContact O-N 2.88Å; K278-G282 WeakPolarHBondContact O-CA 3.41Å; K278-G282 PolarHBondContact O-N 2.84Å; K278-I283 WeakPolarHBondContact CA-O 3.38Å; K278-D284 HydrophobicContact CD-CB 3.89Å; K278-D284 WeakPolarHBondContact CE-OD2 3.27Å; K278-D284 HydrophobicContact CG-CB 4.32Å; K278-D284 IonicContact NZ-OD2 2.97Å; K278-D284 PolarHBondContact NZ-OD2 3.16Å |
| 279 | E | 94.6 | Very high | 90.9 | Very high | 173 Ų | 173 | 56.8 Ų | 56.8 | 81% | 0.808 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -73.3 | -42.4 | 178.2 | -170 | 168 | 174.6 | 0 | 0 | 111.8 | L275 D276 | L275-E279 PolarHBondContact O-N 2.88Å; D276-E279 PolarHBondContact O-N 2.9Å |
| 280 | E | 94.3 | Very high | 92 | Very high | 125 Ų | 125 | 51.3 Ų | 51.3 | 58% | 0.584 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -77.9 | -42 | -179.1 | -170.1 | 174.1 | 141.2 | 0 | 0 | 113 | D276 F344 Y348 | D276-E280 PolarHBondContact O-N 3.29Å; E280-F344 HydrophobicContact CB-CE2 4.2Å; E280-Y348 PolarHBondContact OE1-OH 3.15Å |
| 281 | T | 94 | Very high | 92.4 | Very high | 12 Ų | 12 | 49 Ų | 49 | 7% | 0.074 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -109.8 | -17.1 | -172.1 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | L277 I283 K310 E340 F344 | L277-T281 HydrophobicContact CD1-CG2 3.97Å; L277-T281 WeakPolarHBondContact CD1-OG1 3.27Å; L277-T281 WeakPolarHBondContact O-CB 3.42Å; L277-T281 PolarHBondContact O-N 2.82Å; L277-T281 PolarHBondContact O-OG1 2.91Å; T281-I283 PolarHBondContact O-N 2.89Å; T281-I283 VanDerWaalsContact OG1-CB 3.28Å; T281-I283 WeakPolarHBondContact OG1-CB 3.43Å; T281-I283 WeakPolarHBondContact OG1-CG1 3.37Å; T281-I283 PolarHBondContact OG1-N 3.26Å; T281-I283 VanDerWaalsContact OG1-N 3.14Å; T281-K310 WeakPolarHBondContact O-CE 3.49Å; T281-K310 PolarHBondContact O-NZ 3.23Å; T281-E340 WeakPolarHBondContact CB-OE1 3.38Å; T281-E340 HydrophobicContact CG2-CG 3.98Å; T281-F344 HydrophobicContact CG2-CB 4.43Å; T281-F344 HydrophobicContact CG2-CD2 4.24Å |
| 282 | G | 94.5 | Very high | 92.7 | Very high | 35 Ų | 35 | 45.7 Ų | 45.7 | 36% | 0.361 | 22% | 0.224 | S | C | . | . | trans | 75.4 | 4.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | K278 S306 | K278-G282 WeakPolarHBondContact O-CA 3.41Å; K278-G282 PolarHBondContact O-N 2.84Å; G282-S306 PolarHBondContact O-OG 3.26Å | ||
| 283 | I | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -88 | 124.7 | -178.8 | -65.2 | -178.1 | 0 | 0 | 0 | 110.7 | L277 K278 T281 L285 S306 Y337 E340 A341 | L277-I283 HydrophobicContact CD1-CB 4.39Å; L277-I283 HydrophobicContact CD2-CG2 4.15Å; L277-I283 HydrophobicContact CG-CB 4.3Å; L277-I283 HydrophobicContact CG-CG2 4.47Å; K278-I283 WeakPolarHBondContact CA-O 3.38Å; T281-I283 PolarHBondContact O-N 2.89Å; T281-I283 VanDerWaalsContact OG1-CB 3.28Å; T281-I283 WeakPolarHBondContact OG1-CB 3.43Å; T281-I283 WeakPolarHBondContact OG1-CG1 3.37Å; T281-I283 PolarHBondContact OG1-N 3.26Å; T281-I283 VanDerWaalsContact OG1-N 3.14Å; I283-L285 HydrophobicContact CG2-CD1 4.26Å; I283-L285 HydrophobicContact CG2-CD2 3.84Å; I283-L285 HydrophobicContact CG2-CG 3.79Å; I283-S306 WeakPolarHBondContact CA-OG 3.4Å; I283-Y337 HydrophobicContact CD1-CD1 4.37Å; I283-Y337 HydrophobicContact CD1-CD2 4.22Å; I283-Y337 HydrophobicContact CD1-CE2 4.46Å; I283-Y337 HydrophobicContact CD1-CG 4.18Å; I283-Y337 WeakPolarHBondContact CD1-O 3.43Å; I283-Y337 HydrophobicContact CG1-CD2 4.13Å; I283-Y337 HydrophobicContact CG1-CE2 4Å; I283-Y337 HydrophobicContact CG2-CE1 3.9Å; I283-Y337 HydrophobicContact CG2-CE2 4.2Å; I283-E340 HydrophobicContact CD1-CB 3.88Å; I283-E340 HydrophobicContact CD1-CG 3.83Å; I283-A341 HydrophobicContact CD1-CB 4.07Å; I283-A341 HydrophobicContact CG2-CB 4.34Å | ||
| 284 | D | 94.7 | Very high | 92.7 | Very high | 21 Ų | 21 | 40.8 Ų | 40.8 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | trans | -114 | 107.7 | 179.8 | -162 | -10.6 | 0 | 0 | 0 | 111.9 | K278 K303 S306 | K278-D284 HydrophobicContact CD-CB 3.89Å; K278-D284 WeakPolarHBondContact CE-OD2 3.27Å; K278-D284 HydrophobicContact CG-CB 4.32Å; K278-D284 IonicContact NZ-OD2 2.97Å; K278-D284 PolarHBondContact NZ-OD2 3.16Å; D284-K303 HydrophobicContact CB-CD 4.4Å; D284-K303 PolarHBondContact O-N 3.43Å; D284-K303 VanDerWaalsContact O-N 3.08Å; D284-K303 WeakPolarHBondContact OD1-CE 3.33Å; D284-K303 IonicContact OD1-NZ 3.85Å; D284-K303 PolarHBondContact OD1-NZ 3.37Å; D284-K303 IonicContact OD2-NZ 2.83Å; D284-K303 PolarHBondContact OD2-NZ 3.45Å; D284-S306 PolarHBondContact N-OG 3.11Å | ||
| 285 | L | 92.8 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 155.3 | -177.9 | -54.2 | 178.5 | 0 | 0 | 0 | 111.9 | F274 L277 I283 I288 M300 T301 A302 Y337 A341 | F274-L285 HydrophobicContact CD1-CB 3.85Å; F274-L285 HydrophobicContact CE1-CB 3.69Å; F274-L285 HydrophobicContact CE1-CD1 4.36Å; L277-L285 HydrophobicContact CD2-CD1 3.76Å; L277-L285 HydrophobicContact CD2-CG 4.03Å; I283-L285 HydrophobicContact CG2-CD1 4.26Å; I283-L285 HydrophobicContact CG2-CD2 3.84Å; I283-L285 HydrophobicContact CG2-CG 3.79Å; L285-I288 HydrophobicContact CD1-CB 4.33Å; L285-I288 HydrophobicContact CD1-CD1 4.25Å; L285-M300 HydrophobicContact CD1-CB 4.03Å; L285-M300 HydrophobicContact CD1-SD 4.32Å; L285-M300 HydrophobicContact CD2-CB 4.31Å; L285-M300 HydrophobicContact CD2-CG 4.38Å; L285-M300 HydrophobicContact CD2-SD 4.28Å; L285-T301 CarbonylContact C-O 3.57Å; L285-T301 WeakPolarHBondContact CA-O 3.27Å; L285-A302 HydrophobicContact CD2-CB 3.75Å; L285-Y337 HydrophobicContact CD2-CE1 4.15Å; L285-A341 HydrophobicContact CD1-CB 4.38Å |
| 286 | E | 90.2 | Very high | 92.9 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 41% | 0.411 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | -20.6 | 170.6 | -59.4 | -165.5 | 152.2 | 0 | 0 | 113.1 | F267 T301 K303 | F267-E286 VanDerWaalsContact CB-O 3.32Å; F267-E286 WeakPolarHBondContact CB-O 3.32Å; F267-E286 PolarHBondContact N-O 3.06Å; E286-T301 PolarHBondContact N-O 2.78Å; E286-K303 HydrophobicContact CG-CD 4.37Å; E286-K303 VanDerWaalsContact CG-CE 3.48Å; E286-K303 HydrophobicContact CG-CG 3.95Å |
| 287 | N | 90.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 34.1 Ų | 34.1 | 9% | 0.086 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 147.9 | -179.1 | -165.7 | -4.5 | 0 | 0 | 0 | 109.8 | V265 A266 M300 T301 P405 | V265-N287 VanDerWaalsContact C-OD1 3.24Å; V265-N287 PolarHBondContact O-OD1 3.29Å; V265-N287 VanDerWaalsContact O-OD1 3.11Å; A266-N287 HydrophobicContact CB-CB 4.45Å; A266-N287 PolarHBondContact N-OD1 3.21Å; N287-M300 VanDerWaalsContact O-CA 3.31Å; N287-M300 WeakPolarHBondContact O-CA 3.47Å; N287-T301 WeakPolarHBondContact CB-OG1 3.46Å; N287-T301 PolarHBondContact N-OG1 2.89Å; N287-T301 PolarHBondContact O-N 2.81Å; N287-P405 WeakPolarHBondContact ND2-CB 3.39Å |
| 288 | I | 91.8 | Very high | 93 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 137.6 | 166 | -168.1 | 165.1 | 0 | 0 | 0 | 110.3 | I262 V265 F273 F274 L285 F298 M300 | I262-I288 HydrophobicContact CG2-CG2 4.43Å; I262-I288 WeakPolarHBondContact CG2-O 3.38Å; V265-I288 PolarHBondContact N-O 3.24Å; V265-I288 PolarHBondContact O-N 3.32Å; F273-I288 HydrophobicContact CE1-CG2 3.72Å; F273-I288 HydrophobicContact CZ-CG2 4.05Å; F274-I288 HydrophobicContact CE1-CG2 4.14Å; F274-I288 HydrophobicContact CZ-CG2 3.97Å; L285-I288 HydrophobicContact CD1-CB 4.33Å; L285-I288 HydrophobicContact CD1-CD1 4.25Å; I288-F298 HydrophobicContact CD1-CD1 4.28Å; I288-M300 HydrophobicContact CB-CB 4.43Å; I288-M300 HydrophobicContact CD1-CE 4.29Å; I288-M300 HydrophobicContact CG1-CB 4.18Å |
| 289 | V | 91.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.9 | 176.8 | -170.5 | 0 | 0 | 0 | 0 | 108 | I262 Y291 F298 V299 P405 | I262-V289 WeakPolarHBondContact O-CA 3.42Å; I262-V289 WeakPolarHBondContact O-CG1 3.25Å; V289-Y291 HydrophobicContact CG1-CD1 4.43Å; V289-Y291 HydrophobicContact CG1-CD2 4.05Å; V289-Y291 HydrophobicContact CG1-CE1 3.96Å; V289-Y291 HydrophobicContact CG1-CE2 3.52Å; V289-Y291 HydrophobicContact CG1-CG 4.47Å; V289-Y291 VanDerWaalsContact CG1-CZ 3.46Å; V289-F298 VanDerWaalsContact O-CA 3.29Å; V289-F298 WeakPolarHBondContact O-CA 3.34Å; V289-V299 HydrophobicContact CB-CG1 3.67Å; V289-V299 HydrophobicContact CG1-CG1 4.34Å; V289-V299 HydrophobicContact CG2-CG1 3.88Å; V289-V299 PolarHBondContact N-O 2.72Å; V289-V299 PolarHBondContact O-N 3.46Å; V289-P405 HydrophobicContact CG2-CB 4.43Å |
| 290 | Y | 92.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 124.9 | 173.6 | 163.2 | -132 | 0 | 0 | 0 | 109.7 | V259 E260 I262 K292 H296 Y297 F298 T346 | V259-Y290 HydrophobicContact CG1-CE1 3.92Å; E260-Y290 WeakPolarHBondContact O-CD1 3.45Å; E260-Y290 VanDerWaalsContact O-CE1 3.28Å; E260-Y290 WeakPolarHBondContact O-CE1 3.4Å; I262-Y290 HydrophobicContact CD1-CD1 4.39Å; I262-Y290 HydrophobicContact CG1-CD1 4.18Å; I262-Y290 PolarHBondContact N-O 3.23Å; I262-Y290 PolarHBondContact O-N 3.03Å; I262-Y290 VanDerWaalsContact O-N 3.13Å; Y290-K292 HydrophobicContact CE2-CB 4.38Å; Y290-K292 WeakPolarHBondContact OH-CE 3.33Å; Y290-H296 HydrophobicContact CE2-CB 3.9Å; Y290-H296 PolarHBondContact OH-ND1 3.29Å; Y290-Y297 WeakPolarHBondContact CA-O 3.47Å; Y290-F298 HydrophobicContact CD1-CZ 4.47Å; Y290-F298 HydrophobicContact CD2-CD1 4.4Å; Y290-F298 HydrophobicContact CD2-CD2 4.21Å; Y290-F298 AromaticContact CD2-CE1 3.93Å; Y290-F298 HydrophobicContact CD2-CE1 3.93Å; Y290-F298 AromaticContact CD2-CE2 3.7Å; Y290-F298 HydrophobicContact CD2-CE2 3.7Å; Y290-F298 AromaticContact CD2-CZ 3.54Å; Y290-F298 HydrophobicContact CD2-CZ 3.54Å; Y290-F298 HydrophobicContact CE2-CE2 4.1Å; Y290-F298 HydrophobicContact CE2-CZ 4.06Å; Y290-F298 HydrophobicContact CG-CD1 4.37Å; Y290-F298 AromaticContact CG-CE1 3.79Å; Y290-F298 HydrophobicContact CG-CE1 3.79Å; Y290-F298 HydrophobicContact CG-CE2 4.4Å; Y290-F298 AromaticContact CG-CZ 3.81Å; Y290-F298 HydrophobicContact CG-CZ 3.81Å; Y290-T346 HydrophobicContact CD1-CG2 3.73Å; Y290-T346 HydrophobicContact CE1-CG2 3.73Å; Y290-T346 HydrophobicContact CG-CG2 4.33Å |
| 291 | Y | 92 | Very high | 92.8 | Very high | 22 Ų | 22 | 16.1 Ų | 16.1 | 9% | 0.086 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.2 | 174.5 | -62.2 | -48.8 | 0 | 0 | 0 | 110.7 | V125 H127 H155 V289 Y297 | V125-Y291 HydrophobicContact CB-CD2 4.14Å; V125-Y291 HydrophobicContact CG1-CD2 3.73Å; V125-Y291 HydrophobicContact CG1-CG 4.07Å; H127-Y291 HydrophobicContact CB-CE2 4.41Å; H155-Y291 HydrophobicContact CB-CD1 4.5Å; H155-Y291 HydrophobicContact CB-CG 4.42Å; H155-Y291 AromaticContact CD2-CD1 3.34Å; H155-Y291 WeakPolarHBondContact CD2-CD1 3.44Å; H155-Y291 AromaticContact CD2-CE1 3.92Å; H155-Y291 AromaticContact CD2-CG 3.79Å; H155-Y291 AromaticContact CG-CD1 3.95Å; H155-Y291 AromaticContact CG-CG 3.96Å; H155-Y291 AromaticContact NE2-CD1 3.73Å; V289-Y291 HydrophobicContact CG1-CD1 4.43Å; V289-Y291 HydrophobicContact CG1-CD2 4.05Å; V289-Y291 HydrophobicContact CG1-CE1 3.96Å; V289-Y291 HydrophobicContact CG1-CE2 3.52Å; V289-Y291 HydrophobicContact CG1-CG 4.47Å; V289-Y291 VanDerWaalsContact CG1-CZ 3.46Å; Y291-Y297 AromaticContact CD2-CD1 3.85Å; Y291-Y297 HydrophobicContact CD2-CD1 3.85Å; Y291-Y297 HydrophobicContact CD2-CE1 4.08Å; Y291-Y297 PolarHBondContact N-O 2.87Å; Y291-Y297 PolarHBondContact O-N 3.41Å |
| 292 | K | 91.6 | Very high | 92.8 | Very high | 37 Ų | 37 | 15.7 Ų | 15.7 | 16% | 0.161 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 77.5 | -175.7 | -167 | -166.3 | -44.3 | -170.8 | 0 | 110.8 | E256 A257 V259 E261 Y290 | E256-K292 WeakPolarHBondContact O-CE 3.29Å; E256-K292 PolarHBondContact O-NZ 3.22Å; A257-K292 VanDerWaalsContact C-NZ 3.34Å; A257-K292 PolarHBondContact O-NZ 3.46Å; V259-K292 WeakPolarHBondContact O-CE 3.47Å; V259-K292 PolarHBondContact O-NZ 2.8Å; E261-K292 HydrophobicContact CG-CB 4.29Å; E261-K292 WeakPolarHBondContact OE1-CA 3.43Å; E261-K292 VanDerWaalsContact OE1-CB 3.25Å; E261-K292 WeakPolarHBondContact OE1-CB 3.35Å; E261-K292 PolarHBondContact OE1-N 3.01Å; Y290-K292 HydrophobicContact CE2-CB 4.38Å; Y290-K292 WeakPolarHBondContact OH-CE 3.33Å |
| 293 | D | 90.4 | Very high | 92.8 | Very high | 10 Ų | 10 | 17 Ų | 17 | 5% | 0.053 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -97.5 | -133 | 172.4 | -176.3 | -111.7 | 0 | 0 | 0 | 109.3 | V125 Y145 S157 N250 T295 | V125-D293 HydrophobicContact CG2-CB 3.86Å; Y145-D293 PolarHBondContact OH-OD2 3.08Å; S157-D293 WeakPolarHBondContact CB-OD1 3.29Å; S157-D293 PolarHBondContact OG-OD1 3.14Å; N250-D293 PolarHBondContact ND2-O 2.99Å; D293-T295 CarbonylContact C-O 3.54Å; D293-T295 PolarHBondContact N-O 2.72Å; D293-T295 VanDerWaalsContact N-O 3.16Å; D293-T295 PolarHBondContact O-N 2.85Å |
| 294 | N | 88.7 | Confident | 92.7 | Very high | 60 Ų | 60 | 18.7 Ų | 18.7 | 32% | 0.321 | 9% | 0.09 | S | C | . | . | S | Bend | trans | -76.5 | -13.3 | 176.6 | -60.1 | -72.4 | 0 | 0 | 0 | 112.4 | Y145 | Y145-N294 PolarHBondContact OH-ND2 3.47Š|
| 295 | T | 93.2 | Very high | 92.7 | Very high | 12 Ų | 12 | 23.2 Ų | 23.2 | 7% | 0.074 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 156.3 | 165.8 | 50.9 | 0 | 0 | 0 | 0 | 108.9 | H123 N247 F248 D293 Y297 A356 | H123-T295 HydrophobicContact CB-CG2 4.37Å; N247-T295 HydrophobicContact CB-CG2 4.03Å; N247-T295 PolarHBondContact OD1-OG1 2.8Å; F248-T295 CarbonylContact O-C 3.52Å; F248-T295 VanDerWaalsContact O-CA 3.26Å; F248-T295 WeakPolarHBondContact O-CA 3.49Å; F248-T295 VanDerWaalsContact O-CB 3.3Å; F248-T295 WeakPolarHBondContact O-CB 3.33Å; D293-T295 CarbonylContact C-O 3.54Å; D293-T295 PolarHBondContact N-O 2.72Å; D293-T295 VanDerWaalsContact N-O 3.16Å; D293-T295 PolarHBondContact O-N 2.85Å; T295-Y297 PolarHBondContact O-N 2.89Å; T295-A356 HydrophobicContact CG2-CB 3.89Å |
| 296 | H | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 100.6 | 159.5 | -57.5 | -51.4 | 0 | 0 | 0 | 106.4 | F248 N250 E256 Y290 F298 L350 | F248-H296 HydrophobicContact CB-CB 4.21Å; F248-H296 PolarHBondContact N-O 3.49Å; F248-H296 PolarHBondContact O-N 3.27Å; N250-H296 WeakPolarHBondContact CA-NE2 3.46Å; N250-H296 PolarHBondContact OD1-CE1 3.29Å; E256-H296 IonicContact OE1-CD2 3.23Å; E256-H296 IonicContact OE1-CE1 3.89Å; E256-H296 IonicContact OE1-NE2 2.83Å; E256-H296 PolarHBondContact OE1-NE2 3.32Å; Y290-H296 HydrophobicContact CE2-CB 3.9Å; Y290-H296 PolarHBondContact OH-ND1 3.29Å; H296-F298 HydrophobicContact CB-CE2 4.11Å; H296-L350 HydrophobicContact CB-CD1 4.48Å |
| 297 | Y | 95.3 | Very high | 93.1 | Very high | 7 Ų | 7 | 19.2 Ų | 19.2 | 3% | 0.027 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 126.9 | -174.9 | 168.4 | -98.9 | 0 | 0 | 0 | 110.4 | N124 V125 T245 A246 N247 Y290 Y291 T295 V299 | N124-Y297 HydrophobicContact CB-CD2 4.22Å; N124-Y297 HydrophobicContact CB-CE2 3.54Å; V125-Y297 HydrophobicContact CB-CD1 3.59Å; V125-Y297 HydrophobicContact CB-CE1 4.06Å; V125-Y297 HydrophobicContact CB-CG 3.81Å; V125-Y297 HydrophobicContact CG2-CD1 4.15Å; V125-Y297 HydrophobicContact CG2-CG 3.86Å; T245-Y297 HydrophobicContact CG2-CE2 4.26Å; A246-Y297 WeakPolarHBondContact O-CA 3.34Å; N247-Y297 WeakPolarHBondContact OD1-CD2 3.21Å; Y290-Y297 WeakPolarHBondContact CA-O 3.47Å; Y291-Y297 AromaticContact CD2-CD1 3.85Å; Y291-Y297 HydrophobicContact CD2-CD1 3.85Å; Y291-Y297 HydrophobicContact CD2-CE1 4.08Å; Y291-Y297 PolarHBondContact N-O 2.87Å; Y291-Y297 PolarHBondContact O-N 3.41Å; T295-Y297 PolarHBondContact O-N 2.89Å; Y297-V299 HydrophobicContact CE1-CB 4.12Å; Y297-V299 HydrophobicContact CE1-CG1 3.79Å |
| 298 | F | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 138.1 | 173 | -67 | -101.6 | 0 | 0 | 0 | 109.9 | T245 A246 F248 I288 V289 Y290 H296 M300 A342 T346 L350 | T245-F298 CarbonylContact C-O 3.53Å; T245-F298 VanDerWaalsContact CA-O 3.29Å; T245-F298 WeakPolarHBondContact CA-O 3.35Å; A246-F298 PolarHBondContact N-O 3.4Å; A246-F298 PolarHBondContact O-N 3.32Å; F248-F298 AromaticContact CD2-CD2 3.71Å; F248-F298 HydrophobicContact CD2-CD2 3.71Å; F248-F298 AromaticContact CD2-CE2 3.81Å; F248-F298 HydrophobicContact CD2-CE2 3.81Å; F248-F298 AromaticContact CE2-CD2 3.62Å; F248-F298 HydrophobicContact CE2-CD2 3.62Å; F248-F298 AromaticContact CE2-CE2 3.94Å; F248-F298 HydrophobicContact CE2-CE2 3.94Å; F248-F298 HydrophobicContact CE2-CG 4.44Å; I288-F298 HydrophobicContact CD1-CD1 4.28Å; V289-F298 VanDerWaalsContact O-CA 3.29Å; V289-F298 WeakPolarHBondContact O-CA 3.34Å; Y290-F298 HydrophobicContact CD1-CZ 4.47Å; Y290-F298 HydrophobicContact CD2-CD1 4.4Å; Y290-F298 HydrophobicContact CD2-CD2 4.21Å; Y290-F298 AromaticContact CD2-CE1 3.93Å; Y290-F298 HydrophobicContact CD2-CE1 3.93Å; Y290-F298 AromaticContact CD2-CE2 3.7Å; Y290-F298 HydrophobicContact CD2-CE2 3.7Å; Y290-F298 AromaticContact CD2-CZ 3.54Å; Y290-F298 HydrophobicContact CD2-CZ 3.54Å; Y290-F298 HydrophobicContact CE2-CE2 4.1Å; Y290-F298 HydrophobicContact CE2-CZ 4.06Å; Y290-F298 HydrophobicContact CG-CD1 4.37Å; Y290-F298 AromaticContact CG-CE1 3.79Å; Y290-F298 HydrophobicContact CG-CE1 3.79Å; Y290-F298 HydrophobicContact CG-CE2 4.4Å; Y290-F298 AromaticContact CG-CZ 3.81Å; Y290-F298 HydrophobicContact CG-CZ 3.81Å; H296-F298 HydrophobicContact CB-CE2 4.11Å; F298-M300 HydrophobicContact CB-CE 4.29Å; F298-A342 HydrophobicContact CD1-CB 3.83Å; F298-A342 HydrophobicContact CD2-CB 3.9Å; F298-A342 HydrophobicContact CE1-CB 3.67Å; F298-A342 HydrophobicContact CE2-CB 3.76Å; F298-A342 HydrophobicContact CG-CB 3.95Å; F298-A342 HydrophobicContact CZ-CB 3.63Å; F298-T346 HydrophobicContact CE1-CG2 4.01Å; F298-T346 HydrophobicContact CZ-CG2 3.72Å; F298-L350 HydrophobicContact CE2-CD1 4.31Å; F298-L350 HydrophobicContact CZ-CD1 4.06Å |
| 299 | V | 93.3 | Very high | 93.6 | Very high | 4 Ų | 4 | 24.7 Ų | 24.7 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 127.9 | 160.7 | 56.9 | 0 | 0 | 0 | 0 | 109.8 | I244 T245 V289 Y297 | I244-V299 WeakPolarHBondContact O-CA 3.38Å; T245-V299 HydrophobicContact CG2-CB 4.05Å; T245-V299 HydrophobicContact CG2-CG2 3.83Å; V289-V299 HydrophobicContact CB-CG1 3.67Å; V289-V299 HydrophobicContact CG1-CG1 4.34Å; V289-V299 HydrophobicContact CG2-CG1 3.88Å; V289-V299 PolarHBondContact N-O 2.72Å; V289-V299 PolarHBondContact O-N 3.46Å; Y297-V299 HydrophobicContact CE1-CB 4.12Å; Y297-V299 HydrophobicContact CE1-CG1 3.79Å |
| 300 | M | 93.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 149.1 | -176.5 | 61.6 | -171.1 | 74.9 | 0 | 0 | 110.3 | A243 I244 L285 N287 I288 F298 Y337 A341 | A243-M300 CarbonylContact C-O 3.51Å; A243-M300 WeakPolarHBondContact CA-O 3.4Å; I244-M300 HydrophobicContact CB-CG 3.83Å; I244-M300 HydrophobicContact CB-SD 4.41Å; I244-M300 PolarHBondContact N-O 2.84Å; I244-M300 PolarHBondContact O-N 3.28Å; L285-M300 HydrophobicContact CD1-CB 4.03Å; L285-M300 HydrophobicContact CD1-SD 4.32Å; L285-M300 HydrophobicContact CD2-CB 4.31Å; L285-M300 HydrophobicContact CD2-CG 4.38Å; L285-M300 HydrophobicContact CD2-SD 4.28Å; N287-M300 VanDerWaalsContact O-CA 3.31Å; N287-M300 WeakPolarHBondContact O-CA 3.47Å; I288-M300 HydrophobicContact CB-CB 4.43Å; I288-M300 HydrophobicContact CD1-CE 4.29Å; I288-M300 HydrophobicContact CG1-CB 4.18Å; F298-M300 HydrophobicContact CB-CE 4.29Å; M300-Y337 HydrophobicContact SD-CE1 4.39Å; M300-A341 HydrophobicContact CE-CB 3.79Å; M300-A341 HydrophobicContact SD-CB 3.76Å |
| 301 | T | 92.9 | Very high | 94 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.049 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 108.6 | 174.2 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | I242 A243 L285 E286 N287 F370 P405 | I242-T301 CarbonylContact O-C 3.58Å; I242-T301 WeakPolarHBondContact O-CA 3.21Å; A243-T301 HydrophobicContact CB-CG2 4.4Å; L285-T301 CarbonylContact C-O 3.57Å; L285-T301 WeakPolarHBondContact CA-O 3.27Å; E286-T301 PolarHBondContact N-O 2.78Å; N287-T301 WeakPolarHBondContact CB-OG1 3.46Å; N287-T301 PolarHBondContact N-OG1 2.89Å; N287-T301 PolarHBondContact O-N 2.81Å; T301-F370 HydrophobicContact CG2-CD2 4.03Å; T301-F370 HydrophobicContact CG2-CE2 4.19Å; T301-P405 HydrophobicContact CG2-CG 4.24Å |
| 302 | A | 94.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 146 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I242 I244 L285 L307 Y337 | I242-A302 PolarHBondContact O-N 2.9Å; I244-A302 HydrophobicContact CD1-CB 4.21Å; L285-A302 HydrophobicContact CD2-CB 3.75Å; A302-L307 HydrophobicContact CB-CD1 3.99Å; A302-L307 HydrophobicContact CB-CD2 3.92Å; A302-L307 HydrophobicContact CB-CG 4.01Å; A302-Y337 HydrophobicContact CB-CE1 4.14Å; A302-Y337 WeakPolarHBondContact CB-OH 3.39Å |
| 303 | K | 93.3 | Very high | 94.4 | Very high | 61 Ų | 61 | 32.1 Ų | 32.1 | 27% | 0.265 | 15% | 0.154 | S | C | . | . | trans | -81.8 | 135.9 | 173.9 | -64 | 177.7 | -167.6 | 152.1 | 0 | 110.1 | D284 E286 Q305 S306 L307 | D284-K303 HydrophobicContact CB-CD 4.4Å; D284-K303 PolarHBondContact O-N 3.43Å; D284-K303 VanDerWaalsContact O-N 3.08Å; D284-K303 WeakPolarHBondContact OD1-CE 3.33Å; D284-K303 IonicContact OD1-NZ 3.85Å; D284-K303 PolarHBondContact OD1-NZ 3.37Å; D284-K303 IonicContact OD2-NZ 2.83Å; D284-K303 PolarHBondContact OD2-NZ 3.45Å; E286-K303 HydrophobicContact CG-CD 4.37Å; E286-K303 VanDerWaalsContact CG-CE 3.48Å; E286-K303 HydrophobicContact CG-CG 3.95Å; K303-Q305 PolarHBondContact O-N 3.37Å; K303-Q305 VanDerWaalsContact O-N 3.11Å; K303-S306 PolarHBondContact O-N 2.95Å; K303-L307 PolarHBondContact O-N 3.44Å | ||
| 304 | K | 94.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 36.3 Ų | 36.3 | 16% | 0.157 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -48 | -42.1 | -179.7 | 174 | 172.9 | 167.6 | -179.4 | 0 | 113.4 | L240 I242 S306 L307 L308 D316 Y317 L323 | L240-K304 HydrophobicContact CD2-CB 3.73Å; L240-K304 HydrophobicContact CD2-CD 3.44Å; L240-K304 VanDerWaalsContact CD2-CD 3.44Å; L240-K304 HydrophobicContact CD2-CG 4.18Å; I242-K304 HydrophobicContact CD1-CB 4.07Å; K304-S306 PolarHBondContact O-N 2.99Å; K304-L307 PolarHBondContact O-N 3.2Å; K304-L308 HydrophobicContact CG-CD1 3.98Å; K304-L308 WeakPolarHBondContact O-CG 3.31Å; K304-L308 PolarHBondContact O-N 3.15Å; K304-L308 VanDerWaalsContact O-N 3.1Å; K304-D316 WeakPolarHBondContact CE-OD1 3.27Å; K304-D316 WeakPolarHBondContact CE-OD2 3.46Å; K304-D316 IonicContact NZ-OD1 2.99Å; K304-D316 PolarHBondContact NZ-OD1 2.95Å; K304-D316 IonicContact NZ-OD2 3.36Å; K304-D316 PolarHBondContact NZ-OD2 2.88Å; K304-D316 VanDerWaalsContact NZ-OD2 3.15Å; K304-Y317 PolarHBondContact NZ-O 2.92Å; K304-L323 HydrophobicContact CD-CD1 4.25Å; K304-L323 HydrophobicContact CD-CD2 3.81Å; K304-L323 HydrophobicContact CG-CD2 4.36Å |
| 305 | Q | 94.6 | Very high | 94.9 | Very high | 117 Ų | 117 | 37.1 Ų | 37.1 | 55% | 0.547 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -59.7 | -47.2 | 179.5 | -167.5 | 60.2 | 51.9 | 0 | 0 | 112.1 | K303 L307 L308 D309 | K303-Q305 PolarHBondContact O-N 3.37Å; K303-Q305 VanDerWaalsContact O-N 3.11Å; Q305-L307 PolarHBondContact O-N 2.78Å; Q305-L308 WeakPolarHBondContact O-CB 3.04Å; Q305-L308 PolarHBondContact O-N 2.8Å; Q305-D309 PolarHBondContact NE2-OD1 3.16Å; Q305-D309 WeakPolarHBondContact O-CB 3.24Å; Q305-D309 PolarHBondContact O-N 2.9Å |
| 306 | S | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.7 | -33.8 | 178.5 | -174.7 | 0 | 0 | 0 | 0 | 112.8 | G282 I283 D284 K303 K304 K310 Y337 | G282-S306 PolarHBondContact O-OG 3.26Å; I283-S306 WeakPolarHBondContact CA-OG 3.4Å; D284-S306 PolarHBondContact N-OG 3.11Å; K303-S306 PolarHBondContact O-N 2.95Å; K304-S306 PolarHBondContact O-N 2.99Å; S306-K310 VanDerWaalsContact O-CB 3.3Å; S306-K310 WeakPolarHBondContact O-CB 3.27Å; S306-K310 PolarHBondContact O-N 3.4Å; S306-Y337 PolarHBondContact OG-OH 3.14Å |
| 307 | L | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -72.3 | -31.4 | 177 | -61.1 | 170.8 | 0 | 0 | 0 | 112.7 | I242 I244 A302 K303 K304 Q305 K311 V312 V313 Y337 M367 | I242-L307 HydrophobicContact CB-CD1 4.08Å; I242-L307 HydrophobicContact CD1-CD1 3.78Å; I242-L307 HydrophobicContact CG2-CD1 3.75Å; I244-L307 HydrophobicContact CD1-CD2 3.83Å; A302-L307 HydrophobicContact CB-CD1 3.99Å; A302-L307 HydrophobicContact CB-CD2 3.92Å; A302-L307 HydrophobicContact CB-CG 4.01Å; K303-L307 PolarHBondContact O-N 3.44Å; K304-L307 PolarHBondContact O-N 3.2Å; Q305-L307 PolarHBondContact O-N 2.78Å; L307-K311 PolarHBondContact O-N 2.75Å; L307-V312 HydrophobicContact CB-CB 4.26Å; L307-V312 HydrophobicContact CD2-CB 4.04Å; L307-V312 HydrophobicContact CD2-CG1 4.04Å; L307-V312 HydrophobicContact CD2-CG2 4.21Å; L307-V312 WeakPolarHBondContact O-CA 3.32Å; L307-V312 WeakPolarHBondContact O-CB 3.28Å; L307-V312 PolarHBondContact O-N 2.99Å; L307-V313 HydrophobicContact CB-CB 4.37Å; L307-V313 HydrophobicContact CB-CG2 3.87Å; L307-V313 HydrophobicContact CD1-CG2 4.5Å; L307-V313 PolarHBondContact O-N 3.23Å; L307-Y337 HydrophobicContact CD2-CD1 4.38Å; L307-Y337 HydrophobicContact CD2-CD2 4.27Å; L307-Y337 HydrophobicContact CD2-CE1 3.92Å; L307-Y337 HydrophobicContact CD2-CE2 3.77Å; L307-M367 HydrophobicContact CD1-CE 3.84Å; L307-M367 HydrophobicContact CD2-CE 4.4Å |
| 308 | L | 95.7 | Very high | 94.5 | Very high | 32 Ų | 32 | 53.1 Ų | 53.1 | 17% | 0.168 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.9 | -45.7 | 171.3 | -66.9 | 164.3 | 0 | 0 | 0 | 110.7 | K304 Q305 K310 K311 V313 D316 | K304-L308 HydrophobicContact CG-CD1 3.98Å; K304-L308 WeakPolarHBondContact O-CG 3.31Å; K304-L308 PolarHBondContact O-N 3.15Å; K304-L308 VanDerWaalsContact O-N 3.1Å; Q305-L308 WeakPolarHBondContact O-CB 3.04Å; Q305-L308 PolarHBondContact O-N 2.8Å; L308-K310 VanDerWaalsContact C-N 3.35Å; L308-K310 PolarHBondContact O-N 2.82Å; L308-K311 WeakPolarHBondContact O-CA 3.48Å; L308-K311 PolarHBondContact O-N 2.96Å; L308-V313 HydrophobicContact CD2-CB 3.99Å; L308-V313 HydrophobicContact CD2-CG1 3.66Å; L308-V313 HydrophobicContact CG-CB 4.48Å; L308-V313 HydrophobicContact CG-CG1 4.47Å; L308-D316 HydrophobicContact CD1-CB 4.19Å; L308-D316 WeakPolarHBondContact CD1-OD2 3.46Å; L308-D316 HydrophobicContact CD2-CB 4.38Å |
| 309 | D | 96.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 56.3 Ų | 56.3 | 54% | 0.54 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -43.4 | 179.7 | -59.6 | -22.3 | 0 | 0 | 0 | 111.5 | Q305 K311 | Q305-D309 PolarHBondContact NE2-OD1 3.16Å; Q305-D309 WeakPolarHBondContact O-CB 3.24Å; Q305-D309 PolarHBondContact O-N 2.9Å; D309-K311 VanDerWaalsContact C-N 3.27Å; D309-K311 PolarHBondContact O-N 2.67Å |
| 310 | K | 96.4 | Very high | 93.9 | Very high | 63 Ų | 63 | 56.5 Ų | 56.5 | 27% | 0.274 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 1.3 | 173.1 | -75.7 | -87.1 | -173.6 | 171.7 | 0 | 114.1 | T281 S306 L308 V312 Y337 E340 | T281-K310 WeakPolarHBondContact O-CE 3.49Å; T281-K310 PolarHBondContact O-NZ 3.23Å; S306-K310 VanDerWaalsContact O-CB 3.3Å; S306-K310 WeakPolarHBondContact O-CB 3.27Å; S306-K310 PolarHBondContact O-N 3.4Å; L308-K310 VanDerWaalsContact C-N 3.35Å; L308-K310 PolarHBondContact O-N 2.82Å; K310-V312 HydrophobicContact CB-CG2 4.04Å; K310-V312 PolarHBondContact O-N 3.14Å; K310-Y337 HydrophobicContact CB-CD2 3.71Å; K310-Y337 HydrophobicContact CB-CE2 4.09Å; K310-Y337 HydrophobicContact CD-CD2 4.37Å; K310-Y337 HydrophobicContact CG-CD2 3.75Å; K310-Y337 HydrophobicContact CG-CE2 3.96Å; K310-E340 IonicContact NZ-OE1 3.67Å; K310-E340 PolarHBondContact NZ-OE1 3.07Å; K310-E340 IonicContact NZ-OE2 3.43Å; K310-E340 PolarHBondContact NZ-OE2 3.45Å |
| 311 | K | 95.9 | Very high | 93.7 | Very high | 152 Ų | 152 | 63.9 Ų | 63.9 | 66% | 0.661 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.4 | 27.1 | -180 | -52.2 | 178 | -175.9 | 176 | 0 | 114.6 | L307 L308 D309 V313 N330 A333 | L307-K311 PolarHBondContact O-N 2.75Å; L308-K311 WeakPolarHBondContact O-CA 3.48Å; L308-K311 PolarHBondContact O-N 2.96Å; D309-K311 VanDerWaalsContact C-N 3.27Å; D309-K311 PolarHBondContact O-N 2.67Å; K311-V313 VanDerWaalsContact C-N 3.34Å; K311-N330 WeakPolarHBondContact O-CB 3.5Å; K311-A333 WeakPolarHBondContact O-CB 3.19Å |
| 312 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -68.7 | -39.9 | 169 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | L307 K310 V329 N330 A333 L334 Y337 M367 | L307-V312 HydrophobicContact CB-CB 4.26Å; L307-V312 HydrophobicContact CD2-CB 4.04Å; L307-V312 HydrophobicContact CD2-CG1 4.04Å; L307-V312 HydrophobicContact CD2-CG2 4.21Å; L307-V312 WeakPolarHBondContact O-CA 3.32Å; L307-V312 WeakPolarHBondContact O-CB 3.28Å; L307-V312 PolarHBondContact O-N 2.99Å; K310-V312 HydrophobicContact CB-CG2 4.04Å; K310-V312 PolarHBondContact O-N 3.14Å; V312-V329 CarbonylContact O-C 3.52Å; V312-V329 WeakPolarHBondContact O-CA 3.48Å; V312-N330 PolarHBondContact O-N 2.99Å; V312-A333 HydrophobicContact CG2-CB 4.16Å; V312-L334 HydrophobicContact CG1-CB 3.9Å; V312-L334 HydrophobicContact CG1-CD1 3.85Å; V312-L334 HydrophobicContact CG1-CG 4.46Å; V312-Y337 HydrophobicContact CG2-CD2 3.62Å; V312-Y337 HydrophobicContact CG2-CE2 4.41Å; V312-Y337 HydrophobicContact CG2-CG 3.88Å; V312-M367 HydrophobicContact CG1-CE 4.29Å; V312-M367 HydrophobicContact CG1-SD 4.09Å |
| 313 | V | 95.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.006 | 33% | 0.327 | C | S | . | . | B | Isolated β-bridge | trans | -104.5 | 130.1 | 170 | 175.2 | 0 | 0 | 0 | 0 | 107.3 | L307 L308 K311 N315 L323 N328 M367 | L307-V313 HydrophobicContact CB-CB 4.37Å; L307-V313 HydrophobicContact CB-CG2 3.87Å; L307-V313 HydrophobicContact CD1-CG2 4.5Å; L307-V313 PolarHBondContact O-N 3.23Å; L308-V313 HydrophobicContact CD2-CB 3.99Å; L308-V313 HydrophobicContact CD2-CG1 3.66Å; L308-V313 HydrophobicContact CG-CB 4.48Å; L308-V313 HydrophobicContact CG-CG1 4.47Å; K311-V313 VanDerWaalsContact C-N 3.34Å; V313-N315 WeakPolarHBondContact CG1-O 3.17Å; V313-L323 HydrophobicContact CG1-CD1 3.7Å; V313-L323 HydrophobicContact CG1-CG 4.37Å; V313-N328 WeakPolarHBondContact CA-O 3.44Å; V313-N328 WeakPolarHBondContact CG1-ND2 3.41Å; V313-M367 HydrophobicContact CG2-CE 4.34Å |
| 314 | I | 94.2 | Very high | 93.5 | Very high | 98 Ų | 98 | 66.6 Ų | 66.6 | 50% | 0.503 | 32% | 0.323 | S | S | . | . | trans | -82.5 | -49.6 | -172.6 | -58.7 | 170.5 | 0 | 0 | 0 | 110.9 | N328 N330 | I314-N328 WeakPolarHBondContact CG1-O 3.18Å; I314-N328 PolarHBondContact N-O 3.33Å; I314-N330 HydrophobicContact CG1-CB 4.33Å | ||
| 315 | N | 94.6 | Very high | 93.5 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 41% | 0.412 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -120.2 | 144.6 | -178.9 | -52.7 | -84.3 | 0 | 0 | 0 | 111.6 | V313 Y317 N328 | V313-N315 WeakPolarHBondContact CG1-O 3.17Å; N315-Y317 HydrophobicContact CB-CD2 4.4Å; N315-Y317 HydrophobicContact CB-CE2 3.95Å; N315-Y317 PolarHBondContact O-N 3.12Å; N315-N328 VanDerWaalsContact CB-OD1 3.31Å; N315-N328 WeakPolarHBondContact CB-OD1 3.26Å; N315-N328 PolarHBondContact N-OD1 2.75Å; N315-N328 PolarHBondContact ND2-OD1 2.91Å; N315-N328 PolarHBondContact O-ND2 3.06Å |
| 316 | D | 95.3 | Very high | 93.3 | Very high | 90 Ų | 90 | 66.2 Ų | 66.2 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | trans | -76.1 | 102.8 | 169.5 | -169.4 | -52.1 | 0 | 0 | 0 | 110.2 | K304 L308 | K304-D316 WeakPolarHBondContact CE-OD1 3.27Å; K304-D316 WeakPolarHBondContact CE-OD2 3.46Å; K304-D316 IonicContact NZ-OD1 2.99Å; K304-D316 PolarHBondContact NZ-OD1 2.95Å; K304-D316 IonicContact NZ-OD2 3.36Å; K304-D316 PolarHBondContact NZ-OD2 2.88Å; K304-D316 VanDerWaalsContact NZ-OD2 3.15Å; L308-D316 HydrophobicContact CD1-CB 4.19Å; L308-D316 WeakPolarHBondContact CD1-OD2 3.46Å; L308-D316 HydrophobicContact CD2-CB 4.38Å | ||
| 317 | Y | 93 | Very high | 93.2 | Very high | 91 Ų | 91 | 74.3 Ų | 74.3 | 36% | 0.357 | 38% | 0.375 | S | S | . | . | trans | -100.4 | 146.4 | 168 | -67.1 | -58 | 0 | 0 | 0 | 111.9 | K304 N315 M322 N328 | K304-Y317 PolarHBondContact NZ-O 2.92Å; N315-Y317 HydrophobicContact CB-CD2 4.4Å; N315-Y317 HydrophobicContact CB-CE2 3.95Å; N315-Y317 PolarHBondContact O-N 3.12Å; Y317-M322 HydrophobicContact CD2-CB 4.02Å; Y317-M322 HydrophobicContact CG-CB 4Å; Y317-N328 HydrophobicContact CD2-CB 4.38Å; Y317-N328 HydrophobicContact CE2-CB 4.09Å; Y317-N328 WeakPolarHBondContact CE2-OD1 3.3Å | ||
| 318 | M | 87.3 | Confident | 93.1 | Very high | 175 Ų | 175 | 74.4 Ų | 74.4 | 86% | 0.862 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -78.8 | -33.5 | 177.1 | -71.6 | -63.8 | -65.7 | 0 | 0 | 113.1 | ||
| 319 | D | 88.6 | Confident | 93.1 | Very high | 67 Ų | 67 | 73.8 Ų | 73.8 | 36% | 0.358 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -82.4 | 138.2 | 171.4 | 169.3 | 49.3 | 0 | 0 | 0 | 110.8 | Q321 M322 L323 | D319-Q321 PolarHBondContact OD1-N 3.45Å; D319-Q321 WeakPolarHBondContact OD2-CA 3.26Å; D319-Q321 VanDerWaalsContact OD2-CB 3.3Å; D319-Q321 WeakPolarHBondContact OD2-CB 3.24Å; D319-Q321 PolarHBondContact OD2-N 3.49Å; D319-Q321 VanDerWaalsContact OD2-N 3.12Å; D319-M322 HydrophobicContact CB-CB 4.41Å; D319-M322 HydrophobicContact CB-CG 4.47Å; D319-M322 PolarHBondContact OD2-N 3.15Å; D319-L323 WeakPolarHBondContact O-CB 3.46Å; D319-L323 PolarHBondContact O-N 2.96Å |
| 320 | T | 86.9 | Confident | 93.1 | Very high | 9 Ų | 9 | 71.9 Ų | 71.9 | 6% | 0.055 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.1 | -24.5 | -178 | 52.1 | 0 | 0 | 0 | 0 | 113.1 | L240 L324 D369 | L240-T320 HydrophobicContact CD1-CG2 3.62Å; T320-L324 WeakPolarHBondContact O-CB 3.14Å; T320-L324 WeakPolarHBondContact O-CG 3.34Å; T320-L324 PolarHBondContact O-N 2.92Å; T320-L324 VanDerWaalsContact O-N 3.15Å; T320-D369 VanDerWaalsContact CB-OD2 3.26Å; T320-D369 WeakPolarHBondContact CB-OD2 3.44Å; T320-D369 PolarHBondContact OG1-OD2 3.02Å |
| 321 | Q | 88.1 | Confident | 93 | Very high | 157 Ų | 157 | 72.7 Ų | 72.7 | 73% | 0.734 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -73.2 | -45.8 | 176.2 | -47.7 | -172.3 | 18.7 | 0 | 0 | 110.6 | D319 S325 | D319-Q321 PolarHBondContact OD1-N 3.45Å; D319-Q321 WeakPolarHBondContact OD2-CA 3.26Å; D319-Q321 VanDerWaalsContact OD2-CB 3.3Å; D319-Q321 WeakPolarHBondContact OD2-CB 3.24Å; D319-Q321 PolarHBondContact OD2-N 3.49Å; D319-Q321 VanDerWaalsContact OD2-N 3.12Å; Q321-S325 PolarHBondContact O-N 2.79Å; Q321-S325 VanDerWaalsContact O-N 3.07Å |
| 322 | M | 91.2 | Very high | 92.9 | Very high | 93 Ų | 93 | 73.1 Ų | 73.1 | 46% | 0.458 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.2 | -42.2 | 171.7 | -68.3 | -58.7 | -62.8 | 0 | 0 | 112.3 | Y317 D319 L324 S325 | Y317-M322 HydrophobicContact CD2-CB 4.02Å; Y317-M322 HydrophobicContact CG-CB 4Å; D319-M322 HydrophobicContact CB-CB 4.41Å; D319-M322 HydrophobicContact CB-CG 4.47Å; D319-M322 PolarHBondContact OD2-N 3.15Å; M322-L324 VanDerWaalsContact C-N 3.31Å; M322-L324 PolarHBondContact O-N 2.91Å; M322-S325 WeakPolarHBondContact O-CB 3.23Å; M322-S325 PolarHBondContact O-N 3.21Å; M322-S325 PolarHBondContact O-OG 3.29Å |
| 323 | L | 92.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 179.3 | -174.5 | 73.6 | 0 | 0 | 0 | 112.6 | I242 K304 V313 D319 N328 | I242-L323 HydrophobicContact CD1-CD2 3.91Å; K304-L323 HydrophobicContact CD-CD1 4.25Å; K304-L323 HydrophobicContact CD-CD2 3.81Å; K304-L323 HydrophobicContact CG-CD2 4.36Å; V313-L323 HydrophobicContact CG1-CD1 3.7Å; V313-L323 HydrophobicContact CG1-CG 4.37Å; D319-L323 WeakPolarHBondContact O-CB 3.46Å; D319-L323 PolarHBondContact O-N 2.96Å; L323-N328 PolarHBondContact O-ND2 3.47Å |
| 324 | L | 93 | Very high | 93 | Very high | 35 Ų | 35 | 74 Ų | 74 | 18% | 0.183 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 15.5 | -177.6 | -58.2 | 178.4 | 0 | 0 | 0 | 113.1 | I242 T320 M322 M367 D369 | I242-L324 HydrophobicContact CD1-CD2 4.24Å; I242-L324 HydrophobicContact CG1-CD2 4.3Å; I242-L324 HydrophobicContact CG2-CD1 4.47Å; I242-L324 HydrophobicContact CG2-CD2 3.81Å; T320-L324 WeakPolarHBondContact O-CB 3.14Å; T320-L324 WeakPolarHBondContact O-CG 3.34Å; T320-L324 PolarHBondContact O-N 2.92Å; T320-L324 VanDerWaalsContact O-N 3.15Å; M322-L324 VanDerWaalsContact C-N 3.31Å; M322-L324 PolarHBondContact O-N 2.91Å; L324-M367 HydrophobicContact CD2-CE 3.81Å; L324-D369 HydrophobicContact CD1-CB 3.9Å |
| 325 | S | 93.6 | Very high | 93.1 | Very high | 28 Ų | 28 | 70.7 Ų | 70.7 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -66 | 150 | 174.9 | 65.5 | 0 | 0 | 0 | 0 | 111.4 | Q321 M322 E327 N328 V329 | Q321-S325 PolarHBondContact O-N 2.79Å; Q321-S325 VanDerWaalsContact O-N 3.07Å; M322-S325 WeakPolarHBondContact O-CB 3.23Å; M322-S325 PolarHBondContact O-N 3.21Å; M322-S325 PolarHBondContact O-OG 3.29Å; S325-E327 PolarHBondContact O-N 3.45Å; S325-E327 VanDerWaalsContact O-N 3.13Å; S325-N328 PolarHBondContact O-N 3.49Å; S325-N328 WeakPolarHBondContact OG-CB 3.49Å; S325-N328 PolarHBondContact OG-N 2.84Å; S325-V329 WeakPolarHBondContact O-CG2 3.25Å; S325-V329 PolarHBondContact O-N 3.44Å; S325-V329 VanDerWaalsContact O-N 3.12Å |
| 326 | S | 91.2 | Very high | 93.2 | Very high | 116 Ų | 116 | 70.1 Ų | 70.1 | 81% | 0.811 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16.5 | 178.1 | 48.3 | 0 | 0 | 0 | 0 | 114.1 | ||
| 327 | E | 93.8 | Very high | 93.3 | Very high | 173 Ų | 173 | 65.9 Ų | 65.9 | 81% | 0.808 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -25.1 | 174.1 | -63.2 | 176.6 | -170.3 | 0 | 0 | 112.2 | S325 | S325-E327 PolarHBondContact O-N 3.45Å; S325-E327 VanDerWaalsContact O-N 3.13Å |
| 328 | N | 95.6 | Very high | 93.5 | Very high | 2 Ų | 2 | 61.5 Ų | 61.5 | 1% | 0.011 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -8.5 | -176.9 | -163.2 | 52.3 | 0 | 0 | 0 | 113.8 | V313 I314 N315 Y317 L323 S325 | V313-N328 WeakPolarHBondContact CA-O 3.44Å; V313-N328 WeakPolarHBondContact CG1-ND2 3.41Å; I314-N328 WeakPolarHBondContact CG1-O 3.18Å; I314-N328 PolarHBondContact N-O 3.33Å; N315-N328 VanDerWaalsContact CB-OD1 3.31Å; N315-N328 WeakPolarHBondContact CB-OD1 3.26Å; N315-N328 PolarHBondContact N-OD1 2.75Å; N315-N328 PolarHBondContact ND2-OD1 2.91Å; N315-N328 PolarHBondContact O-ND2 3.06Å; Y317-N328 HydrophobicContact CD2-CB 4.38Å; Y317-N328 HydrophobicContact CE2-CB 4.09Å; Y317-N328 WeakPolarHBondContact CE2-OD1 3.3Å; L323-N328 PolarHBondContact O-ND2 3.47Å; S325-N328 PolarHBondContact O-N 3.49Å; S325-N328 WeakPolarHBondContact OG-CB 3.49Å; S325-N328 PolarHBondContact OG-N 2.84Å |
| 329 | V | 95.3 | Very high | 94 | Very high | 20 Ų | 20 | 58 Ų | 58 | 12% | 0.121 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -101.4 | 118.7 | 178 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | V312 S325 Q331 L334 M367 | V312-V329 CarbonylContact O-C 3.52Å; V312-V329 WeakPolarHBondContact O-CA 3.48Å; S325-V329 WeakPolarHBondContact O-CG2 3.25Å; S325-V329 PolarHBondContact O-N 3.44Å; S325-V329 VanDerWaalsContact O-N 3.12Å; V329-Q331 PolarHBondContact O-N 2.9Å; V329-L334 HydrophobicContact CG1-CD2 4.16Å; V329-M367 HydrophobicContact CB-SD 4.38Å; V329-M367 HydrophobicContact CG1-SD 3.58Å; V329-M367 VanDerWaalsContact CG1-SD 3.58Å; V329-M367 HydrophobicContact CG2-SD 3.8Å |
| 330 | N | 95.5 | Very high | 94.3 | Very high | 61 Ų | 61 | 57.4 Ų | 57.4 | 33% | 0.326 | 30% | 0.297 | S | S | . | . | trans | -80.2 | 107.4 | 171.6 | 178.8 | -16.5 | 0 | 0 | 0 | 109.9 | K311 V312 I314 E332 A333 L334 | K311-N330 WeakPolarHBondContact O-CB 3.5Å; V312-N330 PolarHBondContact O-N 2.99Å; I314-N330 HydrophobicContact CG1-CB 4.33Å; N330-E332 VanDerWaalsContact C-N 3.35Å; N330-E332 PolarHBondContact O-N 3.17Å; N330-E332 PolarHBondContact OD1-N 3.36Å; N330-A333 HydrophobicContact CB-CB 3.98Å; N330-A333 PolarHBondContact O-N 2.67Å; N330-A333 PolarHBondContact OD1-N 3Å; N330-L334 WeakPolarHBondContact O-CB 3.3Å; N330-L334 PolarHBondContact O-N 3.31Å | ||
| 331 | Q | 94.1 | Very high | 94.8 | Very high | 79 Ų | 79 | 57 Ų | 57 | 37% | 0.369 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -34.1 | -176.9 | -167.3 | 67.1 | 8.6 | 0 | 0 | 113.4 | V329 L334 L335 | V329-Q331 PolarHBondContact O-N 2.9Å; Q331-L334 PolarHBondContact O-N 3.23Å; Q331-L335 HydrophobicContact CG-CD1 4.34Å; Q331-L335 WeakPolarHBondContact O-CD1 3.39Å; Q331-L335 WeakPolarHBondContact O-CG 3.39Å; Q331-L335 PolarHBondContact O-N 3.28Å |
| 332 | E | 95.3 | Very high | 95.1 | Very high | 161 Ų | 161 | 49.5 Ų | 49.5 | 75% | 0.752 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70.2 | -42.5 | 178.2 | -63.5 | -172.5 | 163.5 | 0 | 0 | 111.3 | N330 L335 S336 | N330-E332 VanDerWaalsContact C-N 3.35Å; N330-E332 PolarHBondContact O-N 3.17Å; N330-E332 PolarHBondContact OD1-N 3.36Å; E332-L335 PolarHBondContact O-N 3.21Å; E332-S336 PolarHBondContact O-N 2.75Å |
| 333 | A | 96.6 | Very high | 95.3 | Very high | 17 Ų | 17 | 47.3 Ų | 47.3 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -40 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | K311 V312 N330 L335 S336 Y337 | K311-A333 WeakPolarHBondContact O-CB 3.19Å; V312-A333 HydrophobicContact CG2-CB 4.16Å; N330-A333 HydrophobicContact CB-CB 3.98Å; N330-A333 PolarHBondContact O-N 2.67Å; N330-A333 PolarHBondContact OD1-N 3Å; A333-L335 VanDerWaalsContact C-N 3.34Å; A333-L335 PolarHBondContact O-N 2.99Å; A333-S336 PolarHBondContact O-N 3.13Å; A333-Y337 VanDerWaalsContact O-CB 3.3Å; A333-Y337 WeakPolarHBondContact O-CB 3.47Å; A333-Y337 PolarHBondContact O-N 3.28Å |
| 334 | L | 96.6 | Very high | 95.4 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59 | -43 | 173.9 | -179.5 | 59.6 | 0 | 0 | 0 | 112 | I244 V312 V329 N330 Q331 Y337 A338 V365 M367 | I244-L334 HydrophobicContact CD1-CD1 3.88Å; I244-L334 HydrophobicContact CG1-CD1 4.36Å; I244-L334 HydrophobicContact CG2-CD1 3.94Å; V312-L334 HydrophobicContact CG1-CB 3.9Å; V312-L334 HydrophobicContact CG1-CD1 3.85Å; V312-L334 HydrophobicContact CG1-CG 4.46Å; V329-L334 HydrophobicContact CG1-CD2 4.16Å; N330-L334 WeakPolarHBondContact O-CB 3.3Å; N330-L334 PolarHBondContact O-N 3.31Å; Q331-L334 PolarHBondContact O-N 3.23Å; L334-Y337 PolarHBondContact O-N 3.34Å; L334-A338 VanDerWaalsContact O-CB 3.31Å; L334-A338 WeakPolarHBondContact O-CB 3.41Å; L334-A338 PolarHBondContact O-N 2.81Å; L334-V365 HydrophobicContact CD1-CG2 4.26Å; L334-V365 HydrophobicContact CD2-CG1 3.93Å; L334-V365 HydrophobicContact CD2-CG2 4.21Å; L334-V365 HydrophobicContact CG-CG1 4.04Å; L334-V365 HydrophobicContact CG-CG2 3.93Å; L334-M367 HydrophobicContact CD1-CG 3.72Å; L334-M367 HydrophobicContact CD1-SD 3.86Å; L334-M367 HydrophobicContact CD2-CG 3.74Å; L334-M367 HydrophobicContact CD2-SD 4.07Å; L334-M367 HydrophobicContact CG-CG 4.41Å |
| 335 | L | 96.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 16% | 0.157 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.2 | -35.9 | 176.2 | -70.6 | 165.5 | 0 | 0 | 0 | 112.6 | Q331 E332 A333 R339 Y355 P363 V365 | Q331-L335 HydrophobicContact CG-CD1 4.34Å; Q331-L335 WeakPolarHBondContact O-CD1 3.39Å; Q331-L335 WeakPolarHBondContact O-CG 3.39Å; Q331-L335 PolarHBondContact O-N 3.28Å; E332-L335 PolarHBondContact O-N 3.21Å; A333-L335 VanDerWaalsContact C-N 3.34Å; A333-L335 PolarHBondContact O-N 2.99Å; L335-R339 VanDerWaalsContact O-CB 3.32Å; L335-R339 WeakPolarHBondContact O-CB 3.25Å; L335-R339 PolarHBondContact O-N 3.01Å; L335-Y355 HydrophobicContact CB-CE2 4.2Å; L335-Y355 HydrophobicContact CD2-CD1 4.15Å; L335-Y355 HydrophobicContact CD2-CD2 3.69Å; L335-Y355 HydrophobicContact CD2-CE1 3.89Å; L335-Y355 HydrophobicContact CD2-CE2 3.41Å; L335-Y355 VanDerWaalsContact CD2-CE2 3.41Å; L335-Y355 HydrophobicContact CD2-CG 4.06Å; L335-Y355 HydrophobicContact CG-CE2 4.42Å; L335-Y355 PolarHBondContact O-OH 2.87Å; L335-P363 HydrophobicContact CD1-CB 4.32Å; L335-P363 HydrophobicContact CD1-CG 4.27Å; L335-P363 HydrophobicContact CD2-CB 3.55Å; L335-P363 HydrophobicContact CD2-CG 4.32Å; L335-V365 HydrophobicContact CD2-CB 4.22Å; L335-V365 HydrophobicContact CD2-CG1 3.47Å; L335-V365 VanDerWaalsContact CD2-CG1 3.47Å; L335-V365 HydrophobicContact CG-CG1 4.05Å |
| 336 | S | 96.9 | Very high | 95.2 | Very high | 64 Ų | 64 | 45.4 Ų | 45.4 | 45% | 0.448 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.3 | -51.3 | 172.5 | -164.4 | 0 | 0 | 0 | 0 | 111 | E332 A333 A338 R339 E340 | E332-S336 PolarHBondContact O-N 2.75Å; A333-S336 PolarHBondContact O-N 3.13Å; S336-A338 PolarHBondContact O-N 3.27Å; S336-R339 PolarHBondContact O-N 3.47Å; S336-E340 VanDerWaalsContact O-CB 3.25Å; S336-E340 WeakPolarHBondContact O-CB 3.31Å; S336-E340 PolarHBondContact O-N 2.81Å |
| 337 | Y | 97.6 | Very high | 95.2 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -48.1 | -177.2 | -171.3 | -76.8 | 0 | 0 | 0 | 112.2 | I244 I283 L285 M300 A302 S306 L307 K310 V312 A333 L334 A341 | I244-Y337 HydrophobicContact CD1-CD1 3.94Å; I244-Y337 HydrophobicContact CD1-CE1 3.89Å; I283-Y337 HydrophobicContact CD1-CD1 4.37Å; I283-Y337 HydrophobicContact CD1-CD2 4.22Å; I283-Y337 HydrophobicContact CD1-CE2 4.46Å; I283-Y337 HydrophobicContact CD1-CG 4.18Å; I283-Y337 WeakPolarHBondContact CD1-O 3.43Å; I283-Y337 HydrophobicContact CG1-CD2 4.13Å; I283-Y337 HydrophobicContact CG1-CE2 4Å; I283-Y337 HydrophobicContact CG2-CE1 3.9Å; I283-Y337 HydrophobicContact CG2-CE2 4.2Å; L285-Y337 HydrophobicContact CD2-CE1 4.15Å; M300-Y337 HydrophobicContact SD-CE1 4.39Å; A302-Y337 HydrophobicContact CB-CE1 4.14Å; A302-Y337 WeakPolarHBondContact CB-OH 3.39Å; S306-Y337 PolarHBondContact OG-OH 3.14Å; L307-Y337 HydrophobicContact CD2-CD1 4.38Å; L307-Y337 HydrophobicContact CD2-CD2 4.27Å; L307-Y337 HydrophobicContact CD2-CE1 3.92Å; L307-Y337 HydrophobicContact CD2-CE2 3.77Å; K310-Y337 HydrophobicContact CB-CD2 3.71Å; K310-Y337 HydrophobicContact CB-CE2 4.09Å; K310-Y337 HydrophobicContact CD-CD2 4.37Å; K310-Y337 HydrophobicContact CG-CD2 3.75Å; K310-Y337 HydrophobicContact CG-CE2 3.96Å; V312-Y337 HydrophobicContact CG2-CD2 3.62Å; V312-Y337 HydrophobicContact CG2-CE2 4.41Å; V312-Y337 HydrophobicContact CG2-CG 3.88Å; A333-Y337 VanDerWaalsContact O-CB 3.3Å; A333-Y337 WeakPolarHBondContact O-CB 3.47Å; A333-Y337 PolarHBondContact O-N 3.28Å; L334-Y337 PolarHBondContact O-N 3.34Å; Y337-A341 WeakPolarHBondContact O-CB 3.35Å; Y337-A341 PolarHBondContact O-N 3.1Å |
| 338 | A | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -71.2 | -29.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I244 A246 L334 S336 A342 V365 | I244-A338 HydrophobicContact CG2-CB 4.21Å; A246-A338 HydrophobicContact CB-CB 4.15Å; L334-A338 VanDerWaalsContact O-CB 3.31Å; L334-A338 WeakPolarHBondContact O-CB 3.41Å; L334-A338 PolarHBondContact O-N 2.81Å; S336-A338 PolarHBondContact O-N 3.27Å; A338-A342 WeakPolarHBondContact O-CB 3.4Å; A338-A342 PolarHBondContact O-N 3.49Å; A338-V365 HydrophobicContact CB-CG2 3.84Å |
| 339 | R | 97 | Very high | 95 | Very high | 100 Ų | 100 | 47.2 Ų | 47.2 | 38% | 0.377 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -70.1 | -51.6 | 172.1 | -173.5 | -174.4 | -65 | 110.6 | -6.5 | 111.2 | F248 L335 S336 A341 A342 D343 L353 Y355 | F248-R339 HydrophobicContact CE1-CB 4.36Å; F248-R339 HydrophobicContact CE1-CG 4.43Å; F248-R339 HydrophobicContact CZ-CB 4.5Å; L335-R339 VanDerWaalsContact O-CB 3.32Å; L335-R339 WeakPolarHBondContact O-CB 3.25Å; L335-R339 PolarHBondContact O-N 3.01Å; S336-R339 PolarHBondContact O-N 3.47Å; R339-A341 VanDerWaalsContact C-N 3.34Å; R339-A341 PolarHBondContact O-N 3.04Å; R339-A342 WeakPolarHBondContact O-CB 3.26Å; R339-A342 PolarHBondContact O-N 3.37Å; R339-D343 PolarHBondContact O-N 3.31Å; R339-L353 HydrophobicContact CG-CB 3.74Å; R339-L353 HydrophobicContact CG-CD1 3.91Å; R339-L353 PolarHBondContact NE-O 3.23Å; R339-Y355 PolarHBondContact N-OH 3.46Å |
| 340 | E | 96.5 | Very high | 94.9 | Very high | 55 Ų | 55 | 46.6 Ų | 46.6 | 26% | 0.257 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.6 | -44.1 | -178.1 | -173.8 | 177.3 | -174.7 | 0 | 0 | 111.8 | T281 I283 K310 S336 A342 D343 F344 | T281-E340 WeakPolarHBondContact CB-OE1 3.38Å; T281-E340 HydrophobicContact CG2-CG 3.98Å; I283-E340 HydrophobicContact CD1-CB 3.88Å; I283-E340 HydrophobicContact CD1-CG 3.83Å; K310-E340 IonicContact NZ-OE1 3.67Å; K310-E340 PolarHBondContact NZ-OE1 3.07Å; K310-E340 IonicContact NZ-OE2 3.43Å; K310-E340 PolarHBondContact NZ-OE2 3.45Å; S336-E340 VanDerWaalsContact O-CB 3.25Å; S336-E340 WeakPolarHBondContact O-CB 3.31Å; S336-E340 PolarHBondContact O-N 2.81Å; E340-A342 PolarHBondContact O-N 2.81Å; E340-D343 PolarHBondContact O-N 2.99Å; E340-F344 PolarHBondContact O-N 2.89Å |
| 341 | A | 95.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.8 | -32.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | I283 L285 M300 Y337 R339 G345 | I283-A341 HydrophobicContact CD1-CB 4.07Å; I283-A341 HydrophobicContact CG2-CB 4.34Å; L285-A341 HydrophobicContact CD1-CB 4.38Å; M300-A341 HydrophobicContact CE-CB 3.79Å; M300-A341 HydrophobicContact SD-CB 3.76Å; Y337-A341 WeakPolarHBondContact O-CB 3.35Å; Y337-A341 PolarHBondContact O-N 3.1Å; R339-A341 VanDerWaalsContact C-N 3.34Å; R339-A341 PolarHBondContact O-N 3.04Å; A341-G345 PolarHBondContact O-N 3.4Å |
| 342 | A | 95.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -76 | -36 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | F248 F298 A338 R339 E340 T346 L353 | F248-A342 HydrophobicContact CE2-CB 3.61Å; F248-A342 HydrophobicContact CZ-CB 3.94Å; F298-A342 HydrophobicContact CD1-CB 3.83Å; F298-A342 HydrophobicContact CD2-CB 3.9Å; F298-A342 HydrophobicContact CE1-CB 3.67Å; F298-A342 HydrophobicContact CE2-CB 3.76Å; F298-A342 HydrophobicContact CG-CB 3.95Å; F298-A342 HydrophobicContact CZ-CB 3.63Å; A338-A342 WeakPolarHBondContact O-CB 3.4Å; A338-A342 PolarHBondContact O-N 3.49Å; R339-A342 WeakPolarHBondContact O-CB 3.26Å; R339-A342 PolarHBondContact O-N 3.37Å; E340-A342 PolarHBondContact O-N 2.81Å; A342-T346 PolarHBondContact O-N 2.81Å; A342-T346 PolarHBondContact O-OG1 2.8Å; A342-L353 HydrophobicContact CB-CD1 4.23Å |
| 343 | D | 95.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 39.5 Ų | 39.5 | 26% | 0.257 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -67.9 | -54.4 | 179.1 | -147.2 | 1.8 | 0 | 0 | 0 | 110.6 | R339 E340 G345 T346 N347 Y348 L353 | R339-D343 PolarHBondContact O-N 3.31Å; E340-D343 PolarHBondContact O-N 2.99Å; D343-G345 VanDerWaalsContact C-N 3.31Å; D343-G345 PolarHBondContact O-N 3.14Å; D343-T346 CarbonylContact O-C 3.58Å; D343-T346 PolarHBondContact O-N 3.47Å; D343-T346 VanDerWaalsContact O-N 3.16Å; D343-T346 PolarHBondContact O-OG1 3.47Å; D343-N347 PolarHBondContact O-N 2.85Å; D343-Y348 HydrophobicContact CB-CD1 4.02Å; D343-Y348 HydrophobicContact CB-CE1 4.06Å; D343-Y348 VanDerWaalsContact CG-CD1 3.42Å; D343-Y348 PolarHBondContact O-N 3.32Å; D343-Y348 WeakPolarHBondContact OD1-CD1 3.36Å; D343-L353 HydrophobicContact CB-CD1 3.53Å |
| 344 | F | 94.4 | Very high | 94.3 | Very high | 18 Ų | 18 | 41.8 Ų | 41.8 | 8% | 0.079 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -43.8 | 172.1 | -175.2 | -80.9 | 0 | 0 | 0 | 111.4 | F273 D276 L277 E280 T281 E340 T346 N347 Y348 | F273-F344 HydrophobicContact CD2-CD1 4.39Å; F273-F344 AromaticContact CD2-CE1 3.77Å; F273-F344 HydrophobicContact CD2-CE1 3.77Å; F273-F344 AromaticContact CE2-CD1 3.68Å; F273-F344 HydrophobicContact CE2-CD1 3.68Å; F273-F344 AromaticContact CE2-CE1 3.52Å; F273-F344 HydrophobicContact CE2-CE1 3.52Å; F273-F344 HydrophobicContact CZ-CD1 4.03Å; F273-F344 HydrophobicContact CZ-CE1 4.12Å; D276-F344 HydrophobicContact CB-CZ 4.01Å; L277-F344 HydrophobicContact CB-CD1 3.87Å; L277-F344 HydrophobicContact CB-CE1 3.56Å; L277-F344 HydrophobicContact CB-CZ 4.03Å; L277-F344 HydrophobicContact CD1-CB 3.81Å; L277-F344 HydrophobicContact CD1-CD1 3.44Å; L277-F344 VanDerWaalsContact CD1-CD1 3.44Å; L277-F344 HydrophobicContact CD1-CD2 4.28Å; L277-F344 HydrophobicContact CD1-CE1 4.07Å; L277-F344 HydrophobicContact CD1-CG 3.57Å; L277-F344 HydrophobicContact CG-CD1 4.19Å; L277-F344 HydrophobicContact CG-CE1 4.39Å; E280-F344 HydrophobicContact CB-CE2 4.2Å; T281-F344 HydrophobicContact CG2-CB 4.43Å; T281-F344 HydrophobicContact CG2-CD2 4.24Å; E340-F344 PolarHBondContact O-N 2.89Å; F344-T346 PolarHBondContact O-N 3.1Å; F344-N347 PolarHBondContact O-N 3.26Å; F344-Y348 HydrophobicContact CD2-CE2 4.37Å |
| 345 | G | 90.7 | Very high | 94.3 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.2 | -33.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I262 A341 D343 | I262-G345 VanDerWaalsContact CD1-O 3.24Å; I262-G345 WeakPolarHBondContact CD1-O 3.28Å; A341-G345 PolarHBondContact O-N 3.4Å; D343-G345 VanDerWaalsContact C-N 3.31Å; D343-G345 PolarHBondContact O-N 3.14Å |
| 346 | T | 92.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.018 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 13.7 | 175.9 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | V259 Y290 F298 A342 D343 F344 Y348 Q349 L350 | V259-T346 HydrophobicContact CG1-CG2 3.84Å; Y290-T346 HydrophobicContact CD1-CG2 3.73Å; Y290-T346 HydrophobicContact CE1-CG2 3.73Å; Y290-T346 HydrophobicContact CG-CG2 4.33Å; F298-T346 HydrophobicContact CE1-CG2 4.01Å; F298-T346 HydrophobicContact CZ-CG2 3.72Å; A342-T346 PolarHBondContact O-N 2.81Å; A342-T346 PolarHBondContact O-OG1 2.8Å; D343-T346 CarbonylContact O-C 3.58Å; D343-T346 PolarHBondContact O-N 3.47Å; D343-T346 VanDerWaalsContact O-N 3.16Å; D343-T346 PolarHBondContact O-OG1 3.47Å; F344-T346 PolarHBondContact O-N 3.1Å; T346-Y348 PolarHBondContact O-N 2.76Å; T346-Q349 VanDerWaalsContact O-CB 3.32Å; T346-Q349 WeakPolarHBondContact O-CB 3.18Å; T346-Q349 VanDerWaalsContact O-CG 3.23Å; T346-Q349 WeakPolarHBondContact O-CG 3.28Å; T346-Q349 PolarHBondContact O-N 3.08Å; T346-L350 HydrophobicContact CG2-CD1 3.81Å; T346-L350 HydrophobicContact CG2-CG 4.22Å |
| 347 | N | 91.5 | Very high | 93.9 | Very high | 110 Ų | 110 | 44 Ų | 44 | 59% | 0.588 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 38.3 | -176.6 | -51.6 | -94 | 0 | 0 | 0 | 112.4 | D343 F344 Q349 | D343-N347 PolarHBondContact O-N 2.85Å; F344-N347 PolarHBondContact O-N 3.26Å; N347-Q349 HydrophobicContact CB-CG 4.44Å; N347-Q349 PolarHBondContact O-N 2.82Å |
| 348 | Y | 92.3 | Very high | 93.5 | Very high | 120 Ų | 120 | 45.2 Ų | 45.2 | 47% | 0.471 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 58.2 | 26.5 | -178.7 | -50.7 | -78.5 | 0 | 0 | 0 | 114.4 | E280 D343 F344 T346 | E280-Y348 PolarHBondContact OE1-OH 3.15Å; D343-Y348 HydrophobicContact CB-CD1 4.02Å; D343-Y348 HydrophobicContact CB-CE1 4.06Å; D343-Y348 VanDerWaalsContact CG-CD1 3.42Å; D343-Y348 PolarHBondContact O-N 3.32Å; D343-Y348 WeakPolarHBondContact OD1-CD1 3.36Å; F344-Y348 HydrophobicContact CD2-CE2 4.37Å; T346-Y348 PolarHBondContact O-N 2.76Å |
| 349 | Q | 92.7 | Very high | 92.8 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 46% | 0.458 | 26% | 0.256 | S | S | . | . | trans | -88.5 | -15.2 | -178.4 | -61.1 | 177.9 | 21 | 0 | 0 | 114.2 | V259 T346 N347 | V259-Q349 HydrophobicContact CG1-CB 4.2Å; V259-Q349 HydrophobicContact CG2-CB 3.71Å; T346-Q349 VanDerWaalsContact O-CB 3.32Å; T346-Q349 WeakPolarHBondContact O-CB 3.18Å; T346-Q349 VanDerWaalsContact O-CG 3.23Å; T346-Q349 WeakPolarHBondContact O-CG 3.28Å; T346-Q349 PolarHBondContact O-N 3.08Å; N347-Q349 HydrophobicContact CB-CG 4.44Å; N347-Q349 PolarHBondContact O-N 2.82Å | ||
| 350 | L | 92.4 | Very high | 92.3 | Very high | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -80.4 | 121.8 | 175.4 | -76 | 175.9 | 0 | 0 | 0 | 109.7 | E256 V259 H296 F298 T346 T352 L353 | E256-L350 HydrophobicContact CB-CD2 4.42Å; E256-L350 HydrophobicContact CG-CD2 4.14Å; V259-L350 HydrophobicContact CB-CD2 4.45Å; V259-L350 HydrophobicContact CG1-CG 4.49Å; V259-L350 HydrophobicContact CG2-CD2 3.9Å; V259-L350 HydrophobicContact CG2-CG 4.26Å; H296-L350 HydrophobicContact CB-CD1 4.48Å; F298-L350 HydrophobicContact CE2-CD1 4.31Å; F298-L350 HydrophobicContact CZ-CD1 4.06Å; T346-L350 HydrophobicContact CG2-CD1 3.81Å; T346-L350 HydrophobicContact CG2-CG 4.22Å; L350-T352 VanDerWaalsContact C-N 3.27Å; L350-T352 PolarHBondContact O-N 3.35Å; L350-T352 VanDerWaalsContact O-N 3.17Å; L350-L353 HydrophobicContact CB-CD2 4.26Å; L350-L353 HydrophobicContact CD1-CD2 3.74Å |
| 351 | P | 89.1 | Confident | 91.8 | Very high | 78 Ų | 78 | 50.9 Ų | 50.9 | 51% | 0.506 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -63.9 | -26.1 | -171.1 | -25.4 | 34.5 | 0 | 0 | 0 | 115.9 | A255 | A255-P351 HydrophobicContact CB-CG 3.73Š|
| 352 | T | 91.4 | Very high | 91.6 | Very high | 60 Ų | 60 | 56.1 Ų | 56.1 | 37% | 0.368 | 30% | 0.304 | S | S | . | . | trans | -158.3 | 126.8 | -173.3 | 50.3 | 0 | 0 | 0 | 0 | 109.8 | R251 L350 | R251-T352 PolarHBondContact NH1-OG1 3.37Å; L350-T352 VanDerWaalsContact C-N 3.27Å; L350-T352 PolarHBondContact O-N 3.35Å; L350-T352 VanDerWaalsContact O-N 3.17Å | ||
| 353 | L | 93.9 | Very high | 91.6 | Very high | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.068 | 32% | 0.316 | C | S | . | . | trans | -105.6 | 68.8 | 175.6 | -70.6 | 171.8 | 0 | 0 | 0 | 111.4 | F248 R339 A342 D343 L350 | F248-L353 HydrophobicContact CB-CD2 4.25Å; F248-L353 HydrophobicContact CD1-CB 3.86Å; F248-L353 HydrophobicContact CD1-CD2 4.06Å; F248-L353 HydrophobicContact CD2-CD2 3.9Å; F248-L353 HydrophobicContact CE1-CB 3.96Å; F248-L353 HydrophobicContact CE1-CD2 4.36Å; F248-L353 HydrophobicContact CE2-CD2 4.23Å; F248-L353 HydrophobicContact CG-CB 4.46Å; F248-L353 HydrophobicContact CG-CD2 3.81Å; F248-L353 HydrophobicContact CZ-CD2 4.45Å; R339-L353 HydrophobicContact CG-CB 3.74Å; R339-L353 HydrophobicContact CG-CD1 3.91Å; R339-L353 PolarHBondContact NE-O 3.23Å; A342-L353 HydrophobicContact CB-CD1 4.23Å; D343-L353 HydrophobicContact CB-CD1 3.53Å; L350-L353 HydrophobicContact CB-CD2 4.26Å; L350-L353 HydrophobicContact CD1-CD2 3.74Å | ||
| 354 | D | 95.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 56.3 Ų | 56.3 | 35% | 0.348 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 131 | 172.2 | -58.9 | -51.4 | 0 | 0 | 0 | 110.2 | F248 I249 R251 | F248-D354 CarbonylContact C-O 3.58Å; F248-D354 WeakPolarHBondContact CA-O 3.27Å; F248-D354 VanDerWaalsContact CB-O 3.29Å; F248-D354 WeakPolarHBondContact CB-O 3.41Å; I249-D354 HydrophobicContact CD1-CB 4.1Å; I249-D354 HydrophobicContact CG1-CB 4.46Å; I249-D354 PolarHBondContact N-O 2.72Å; R251-D354 IonicContact CZ-OD2 3.52Å; R251-D354 IonicContact NH1-OD2 3.6Å; R251-D354 PolarHBondContact NH1-OD2 3.18Å; R251-D354 IonicContact NH2-OD2 2.71Å; R251-D354 PolarHBondContact NH2-OD2 2.99Å |
| 355 | Y | 95.8 | Very high | 91.6 | Very high | 18 Ų | 18 | 55.9 Ų | 55.9 | 7% | 0.071 | 31% | 0.306 | C | S | . | . | B | Isolated β-bridge | trans | -68.5 | 137.9 | 178.9 | -78.3 | -81.2 | 0 | 0 | 0 | 112.2 | A246 F248 L335 R339 P363 V365 | A246-Y355 HydrophobicContact CB-CE1 4.13Å; F248-Y355 HydrophobicContact CD1-CD1 4.11Å; F248-Y355 HydrophobicContact CD1-CD2 4.48Å; F248-Y355 HydrophobicContact CD1-CE1 4.09Å; F248-Y355 HydrophobicContact CD1-CE2 4.46Å; F248-Y355 HydrophobicContact CD1-CG 4.3Å; F248-Y355 AromaticContact CE1-CD1 3.97Å; F248-Y355 HydrophobicContact CE1-CD1 3.97Å; F248-Y355 HydrophobicContact CE1-CD2 4.22Å; F248-Y355 AromaticContact CE1-CE1 3.49Å; F248-Y355 HydrophobicContact CE1-CE1 3.49Å; F248-Y355 VanDerWaalsContact CE1-CE1 3.49Å; F248-Y355 AromaticContact CE1-CE2 3.76Å; F248-Y355 HydrophobicContact CE1-CE2 3.76Å; F248-Y355 HydrophobicContact CE1-CG 4.3Å; F248-Y355 AromaticContact CE1-CZ 3.36Å; F248-Y355 AromaticContact CZ-CE1 3.85Å; F248-Y355 HydrophobicContact CZ-CE1 3.85Å; F248-Y355 AromaticContact CZ-CZ 3.82Å; L335-Y355 HydrophobicContact CB-CE2 4.2Å; L335-Y355 HydrophobicContact CD2-CD1 4.15Å; L335-Y355 HydrophobicContact CD2-CD2 3.69Å; L335-Y355 HydrophobicContact CD2-CE1 3.89Å; L335-Y355 HydrophobicContact CD2-CE2 3.41Å; L335-Y355 VanDerWaalsContact CD2-CE2 3.41Å; L335-Y355 HydrophobicContact CD2-CG 4.06Å; L335-Y355 HydrophobicContact CG-CE2 4.42Å; L335-Y355 PolarHBondContact O-OH 2.87Å; R339-Y355 PolarHBondContact N-OH 3.46Å; Y355-P363 HydrophobicContact CD1-CB 4.38Å; Y355-P363 HydrophobicContact CD2-CB 4.37Å; Y355-P363 HydrophobicContact CG-CB 3.92Å; Y355-V365 HydrophobicContact CE1-CB 4.01Å |
| 356 | A | 94 | Very high | 91.8 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 8% | 0.083 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -65.4 | 157.6 | 160.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | N247 T295 D364 | N247-A356 HydrophobicContact CB-CB 4.01Å; N247-A356 WeakPolarHBondContact O-CB 3.37Å; N247-A356 PolarHBondContact O-N 3.44Å; T295-A356 HydrophobicContact CG2-CB 3.89Å; A356-D364 HydrophobicContact CB-CB 4.34Å; A356-D364 VanDerWaalsContact O-CB 3.24Å; A356-D364 WeakPolarHBondContact O-CB 3.41Å; A356-D364 PolarHBondContact O-N 3.42Å |
| 357 | M | 92.1 | Very high | 91.8 | Very high | 114 Ų | 114 | 58.4 Ų | 58.4 | 56% | 0.562 | 32% | 0.322 | S | S | * | . | B | Isolated β-bridge | trans | -96.6 | 132.7 | 177.1 | -64.3 | -60.9 | 175.6 | 0 | 0 | 110.8 | H123 Q362 | H123-M357 PolarHBondContact CE1-O 2.85Å; H123-M357 VanDerWaalsContact CE1-O 3.28Å; M357-Q362 WeakPolarHBondContact CA-O 3.26Å |
| 358 | N | 89.4 | Confident | 91.8 | Very high | 28 Ų | 28 | 56.6 Ų | 56.6 | 15% | 0.15 | 31% | 0.309 | C | S | . | . | trans | -80.6 | 178.1 | 174.5 | 73.4 | 27.6 | 0 | 0 | 0 | 111.4 | C360 G361 Q362 D364 | N358-C360 PolarHBondContact O-N 3.03Å; N358-C360 VanDerWaalsContact O-N 3.09Å; N358-C360 WeakPolarHBondContact OD1-CA 3.46Å; N358-C360 WeakPolarHBondContact OD1-CB 3.38Å; N358-C360 PolarHBondContact OD1-N 2.64Å; N358-G361 PolarHBondContact O-N 3.01Å; N358-G361 PolarHBondContact OD1-N 3.18Å; N358-Q362 PolarHBondContact N-O 3.11Å; N358-Q362 PolarHBondContact ND2-O 3.39Å; N358-Q362 PolarHBondContact OD1-N 2.99Å; N358-Q362 PolarHBondContact OD1-O 3.39Å; N358-D364 HydrophobicContact CB-CB 3.98Å | ||
| 359 | H | 81.9 | Confident | 91.7 | Very high | 135 Ų | 135 | 52.3 Ų | 52.3 | 63% | 0.625 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -16.4 | -179.8 | 64.3 | -72.9 | 0 | 0 | 0 | 116.1 | ||
| 360 | C | 85.4 | Confident | 91.4 | Very high | 82 Ų | 82 | 48.5 Ų | 48.5 | 55% | 0.554 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 5.3 | 175.1 | -58.8 | 0 | 0 | 0 | 0 | 112.8 | N358 Q362 | N358-C360 PolarHBondContact O-N 3.03Å; N358-C360 VanDerWaalsContact O-N 3.09Å; N358-C360 WeakPolarHBondContact OD1-CA 3.46Å; N358-C360 WeakPolarHBondContact OD1-CB 3.38Å; N358-C360 PolarHBondContact OD1-N 2.64Å; C360-Q362 HydrophobicContact CB-CG 4.35Å; C360-Q362 PolarHBondContact O-N 3.22Å |
| 361 | G | 87.9 | Confident | 91.1 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 72.1 | 13.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N358 | N358-G361 PolarHBondContact O-N 3.01Å; N358-G361 PolarHBondContact OD1-N 3.18Å |
| 362 | Q | 91.3 | Very high | 90.8 | Very high | 109 Ų | 109 | 45 Ų | 45 | 51% | 0.509 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -99.3 | 158.1 | 178.4 | -66.4 | 174.6 | -20.3 | 0 | 0 | 110.7 | M357 N358 C360 D364 | M357-Q362 WeakPolarHBondContact CA-O 3.26Å; N358-Q362 PolarHBondContact N-O 3.11Å; N358-Q362 PolarHBondContact ND2-O 3.39Å; N358-Q362 PolarHBondContact OD1-N 2.99Å; N358-Q362 PolarHBondContact OD1-O 3.39Å; C360-Q362 HydrophobicContact CB-CG 4.35Å; C360-Q362 PolarHBondContact O-N 3.22Å; Q362-D364 PolarHBondContact O-N 3.19Å |
| 363 | P | 95 | Very high | 90.5 | Very high | 39 Ų | 39 | 45.4 Ų | 45.4 | 25% | 0.253 | 25% | 0.253 | S | S | . | . | B | Isolated β-bridge | trans | -49.3 | 130.4 | 169.3 | -31.6 | 38.7 | 0 | 0 | 0 | 113 | L335 Y355 V365 | L335-P363 HydrophobicContact CD1-CB 4.32Å; L335-P363 HydrophobicContact CD1-CG 4.27Å; L335-P363 HydrophobicContact CD2-CB 3.55Å; L335-P363 HydrophobicContact CD2-CG 4.32Å; Y355-P363 HydrophobicContact CD1-CB 4.38Å; Y355-P363 HydrophobicContact CD2-CB 4.37Å; Y355-P363 HydrophobicContact CG-CB 3.92Å; P363-V365 VanDerWaalsContact C-N 3.27Å; P363-V365 PolarHBondContact O-N 3.39Å |
| 364 | D | 94.5 | Very high | 90.3 | Very high | 14 Ų | 14 | 46.9 Ų | 46.9 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -82.3 | 70.5 | -173.4 | -163.2 | -9.5 | 0 | 0 | 0 | 111.7 | H123 A246 N247 A356 N358 Q362 | H123-D364 IonicContact CE1-OD2 3.26Å; H123-D364 IonicContact CG-OD2 2.63Å; H123-D364 IonicContact ND1-OD2 3.86Å; H123-D364 PolarHBondContact ND1-OD2 3.1Å; A246-D364 WeakPolarHBondContact CA-O 3.12Å; N247-D364 HydrophobicContact CB-CB 4.03Å; N247-D364 PolarHBondContact N-O 3.08Å; N247-D364 PolarHBondContact ND2-OD1 2.93Å; N247-D364 PolarHBondContact ND2-OD2 2.95Å; A356-D364 HydrophobicContact CB-CB 4.34Å; A356-D364 VanDerWaalsContact O-CB 3.24Å; A356-D364 WeakPolarHBondContact O-CB 3.41Å; A356-D364 PolarHBondContact O-N 3.42Å; N358-D364 HydrophobicContact CB-CB 3.98Å; Q362-D364 PolarHBondContact O-N 3.19Å |
| 365 | V | 95.2 | Very high | 90.2 | Very high | 8 Ų | 8 | 44 Ų | 44 | 5% | 0.048 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 141.2 | 166.9 | 72 | 0 | 0 | 0 | 0 | 109.7 | I244 T245 A246 L334 L335 A338 Y355 P363 | I244-V365 HydrophobicContact CG2-CG2 3.89Å; T245-V365 VanDerWaalsContact O-CA 3.3Å; T245-V365 WeakPolarHBondContact O-CA 3.34Å; T245-V365 WeakPolarHBondContact O-CG2 3.47Å; A246-V365 HydrophobicContact CB-CG2 4.23Å; L334-V365 HydrophobicContact CD1-CG2 4.26Å; L334-V365 HydrophobicContact CD2-CG1 3.93Å; L334-V365 HydrophobicContact CD2-CG2 4.21Å; L334-V365 HydrophobicContact CG-CG1 4.04Å; L334-V365 HydrophobicContact CG-CG2 3.93Å; L335-V365 HydrophobicContact CD2-CB 4.22Å; L335-V365 HydrophobicContact CD2-CG1 3.47Å; L335-V365 VanDerWaalsContact CD2-CG1 3.47Å; L335-V365 HydrophobicContact CG-CG1 4.05Å; A338-V365 HydrophobicContact CB-CG2 3.84Å; Y355-V365 HydrophobicContact CE1-CB 4.01Å; P363-V365 VanDerWaalsContact C-N 3.27Å; P363-V365 PolarHBondContact O-N 3.39Å |
| 366 | A | 93.4 | Very high | 90.1 | Very high | 31 Ų | 31 | 43.3 Ų | 43.3 | 26% | 0.256 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 148.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I244 T245 F368 | I244-A366 WeakPolarHBondContact CA-O 3.42Å; T245-A366 PolarHBondContact N-O 2.84Å; T245-A366 PolarHBondContact O-N 3.43Å; A366-F368 HydrophobicContact CB-CE2 3.58Å; A366-F368 HydrophobicContact CB-CZ 3.66Å |
| 367 | M | 93.6 | Very high | 90.1 | Very high | 30 Ų | 30 | 46.9 Ų | 46.9 | 15% | 0.148 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 145.8 | 174.9 | -57.4 | -176.5 | 72.8 | 0 | 0 | 111 | I242 A243 I244 L307 V312 V313 L324 V329 L334 | I242-M367 HydrophobicContact CG2-CE 3.63Å; A243-M367 CarbonylContact O-C 3.55Å; A243-M367 VanDerWaalsContact O-CA 3.3Å; A243-M367 WeakPolarHBondContact O-CA 3.37Å; I244-M367 HydrophobicContact CD1-CE 4.49Å; I244-M367 HydrophobicContact CG1-CE 4.5Å; I244-M367 HydrophobicContact CG1-CG 4.26Å; L307-M367 HydrophobicContact CD1-CE 3.84Å; L307-M367 HydrophobicContact CD2-CE 4.4Å; V312-M367 HydrophobicContact CG1-CE 4.29Å; V312-M367 HydrophobicContact CG1-SD 4.09Å; V313-M367 HydrophobicContact CG2-CE 4.34Å; L324-M367 HydrophobicContact CD2-CE 3.81Å; V329-M367 HydrophobicContact CB-SD 4.38Å; V329-M367 HydrophobicContact CG1-SD 3.58Å; V329-M367 VanDerWaalsContact CG1-SD 3.58Å; V329-M367 HydrophobicContact CG2-SD 3.8Å; L334-M367 HydrophobicContact CD1-CG 3.72Å; L334-M367 HydrophobicContact CD1-SD 3.86Å; L334-M367 HydrophobicContact CD2-CG 3.74Å; L334-M367 HydrophobicContact CD2-SD 4.07Å; L334-M367 HydrophobicContact CG-CG 4.41Å |
| 368 | F | 91.4 | Very high | 90.2 | Very high | 71 Ų | 71 | 41.9 Ų | 41.9 | 31% | 0.311 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 145.1 | -178.9 | -57.5 | -85.2 | 0 | 0 | 0 | 112.3 | A243 T245 A366 F370 W404 | A243-F368 HydrophobicContact CB-CB 4.4Å; A243-F368 PolarHBondContact N-O 3.15Å; A243-F368 PolarHBondContact O-N 3.07Å; T245-F368 HydrophobicContact CG2-CD2 4.29Å; T245-F368 HydrophobicContact CG2-CE2 4.02Å; A366-F368 HydrophobicContact CB-CE2 3.58Å; A366-F368 HydrophobicContact CB-CZ 3.66Å; F368-F370 HydrophobicContact CB-CE1 4.47Å; F368-W404 HydrophobicContact CB-CH2 4.27Å; F368-W404 HydrophobicContact CB-CZ3 4.46Å; F368-W404 AromaticContact CD1-CH2 3.7Å; F368-W404 HydrophobicContact CD1-CH2 3.7Å; F368-W404 HydrophobicContact CD1-CZ3 4.37Å; F368-W404 AromaticContact CD2-CH2 3.76Å; F368-W404 HydrophobicContact CD2-CH2 3.76Å; F368-W404 AromaticContact CD2-CZ3 3.56Å; F368-W404 HydrophobicContact CD2-CZ3 3.56Å; F368-W404 AromaticContact CE1-CH2 3.89Å; F368-W404 HydrophobicContact CE1-CH2 3.89Å; F368-W404 AromaticContact CE2-CH2 3.95Å; F368-W404 HydrophobicContact CE2-CH2 3.95Å; F368-W404 AromaticContact CE2-CZ3 3.78Å; F368-W404 HydrophobicContact CE2-CZ3 3.78Å; F368-W404 AromaticContact CG-CH2 3.63Å; F368-W404 HydrophobicContact CG-CH2 3.63Å; F368-W404 AromaticContact CG-CZ3 3.87Å; F368-W404 HydrophobicContact CG-CZ3 3.87Å; F368-W404 HydrophobicContact CZ-CH2 4.01Å; F368-W404 HydrophobicContact CZ-CZ3 4.27Å |
| 369 | D | 90.2 | Very high | 90.6 | Very high | 30 Ų | 30 | 40.5 Ų | 40.5 | 16% | 0.16 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 114.2 | 172.4 | -168.9 | 8.2 | 0 | 0 | 0 | 111 | T320 L324 T371 | T320-D369 VanDerWaalsContact CB-OD2 3.26Å; T320-D369 WeakPolarHBondContact CB-OD2 3.44Å; T320-D369 PolarHBondContact OG1-OD2 3.02Å; L324-D369 HydrophobicContact CD1-CB 3.9Å; D369-T371 WeakPolarHBondContact OD1-CA 3.45Å; D369-T371 WeakPolarHBondContact OD1-CB 3.35Å; D369-T371 PolarHBondContact OD1-N 3.14Å; D369-T371 PolarHBondContact OD1-OG1 3.06Å |
| 370 | F | 86.1 | Confident | 91.3 | Very high | 18 Ų | 18 | 34.1 Ų | 34.1 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | trans | -100.7 | 1.7 | 169.7 | -77.9 | -0.2 | 0 | 0 | 0 | 112.6 | A241 A243 T301 F368 S372 F403 W404 P405 | A241-F370 HydrophobicContact CB-CB 3.84Å; A241-F370 WeakPolarHBondContact O-CA 3.48Å; A241-F370 PolarHBondContact O-N 3.27Å; A243-F370 HydrophobicContact CB-CD1 4.08Å; A243-F370 HydrophobicContact CB-CD2 3.59Å; A243-F370 HydrophobicContact CB-CE1 3.89Å; A243-F370 HydrophobicContact CB-CE2 3.36Å; A243-F370 HydrophobicContact CB-CG 3.94Å; A243-F370 HydrophobicContact CB-CZ 3.53Å; T301-F370 HydrophobicContact CG2-CD2 4.03Å; T301-F370 HydrophobicContact CG2-CE2 4.19Å; F368-F370 HydrophobicContact CB-CE1 4.47Å; F370-S372 PolarHBondContact O-N 3.41Å; F370-F403 HydrophobicContact CB-CE2 4.25Å; F370-F403 AromaticContact CD2-CD2 3.89Å; F370-F403 HydrophobicContact CD2-CD2 3.89Å; F370-F403 AromaticContact CD2-CE2 3.49Å; F370-F403 HydrophobicContact CD2-CE2 3.49Å; F370-F403 VanDerWaalsContact CD2-CE2 3.49Å; F370-F403 HydrophobicContact CD2-CZ 4.3Å; F370-F403 HydrophobicContact CE2-CD2 4.36Å; F370-F403 HydrophobicContact CE2-CE2 4.14Å; F370-F403 HydrophobicContact CG-CD2 4.31Å; F370-F403 HydrophobicContact CG-CE2 4.17Å; F370-W404 AromaticContact CE1-CD2 3.8Å; F370-W404 HydrophobicContact CE1-CD2 3.8Å; F370-W404 AromaticContact CE1-CE3 3.88Å; F370-W404 HydrophobicContact CE1-CE3 3.88Å; F370-W404 HydrophobicContact CE1-CG 4.27Å; F370-W404 HydrophobicContact CE1-CH2 4.35Å; F370-W404 HydrophobicContact CE1-CZ2 4.3Å; F370-W404 HydrophobicContact CE1-CZ3 4.15Å; F370-W404 HydrophobicContact CZ-CB 3.98Å; F370-W404 AromaticContact CZ-CD2 3.6Å; F370-W404 HydrophobicContact CZ-CD2 3.6Å; F370-W404 AromaticContact CZ-CE3 3.56Å; F370-W404 HydrophobicContact CZ-CE3 3.56Å; F370-W404 AromaticContact CZ-CG 3.83Å; F370-W404 HydrophobicContact CZ-CG 3.83Å; F370-W404 HydrophobicContact CZ-CZ3 4.19Å; F370-P405 VanDerWaalsContact CE2-CD 3.49Å; F370-P405 HydrophobicContact CE2-CG 3.83Å | ||
| 371 | T | 85.9 | Confident | 91.9 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -61.6 | -35.8 | 177.1 | -46.7 | 0 | 0 | 0 | 0 | 111.5 | R237 G238 L240 A241 D369 | R237-T371 CarbonylContact C-O 3.53Å; R237-T371 WeakPolarHBondContact CA-O 3.49Å; R237-T371 HydrophobicContact CG-CG2 3.99Å; G238-T371 PolarHBondContact N-O 3.27Å; L240-T371 WeakPolarHBondContact CA-OG1 3.36Å; L240-T371 WeakPolarHBondContact CD1-OG1 3.48Å; A241-T371 PolarHBondContact N-OG1 3.28Å; A241-T371 VanDerWaalsContact N-OG1 3.16Å; A241-T371 PolarHBondContact O-N 3.07Å; D369-T371 WeakPolarHBondContact OD1-CA 3.45Å; D369-T371 WeakPolarHBondContact OD1-CB 3.35Å; D369-T371 PolarHBondContact OD1-N 3.14Å; D369-T371 PolarHBondContact OD1-OG1 3.06Å |
| 372 | S | 83.4 | Confident | 92.3 | Very high | 8 Ų | 8 | 27.8 Ų | 27.8 | 6% | 0.056 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 102.9 | -171.1 | -43.9 | 0 | 0 | 0 | 0 | 110.4 | R224 E235 R237 F370 | R224-S372 PolarHBondContact NH2-O 3.32Å; E235-S372 WeakPolarHBondContact OE1-CB 3.36Å; E235-S372 PolarHBondContact OE1-OG 2.91Å; R237-S372 PolarHBondContact NH1-OG 2.96Å; F370-S372 PolarHBondContact O-N 3.41Å |
| 373 | M | 84.8 | Confident | 92.5 | Very high | 69 Ų | 69 | 23.3 Ų | 23.3 | 34% | 0.34 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 139.8 | 173.5 | -64 | -179.7 | -73.7 | 0 | 0 | 110.1 | F236 F403 | F236-M373 PolarHBondContact N-O 3.27Å; F236-M373 PolarHBondContact O-N 2.81Å; M373-F403 HydrophobicContact SD-CB 3.94Å; M373-F403 HydrophobicContact SD-CD2 4.33Å |
| 374 | H | 89.3 | Confident | 92.4 | Very high | 43 Ų | 43 | 23.3 Ų | 23.3 | 20% | 0.199 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 146.3 | -179.6 | -54.1 | 78.2 | 0 | 0 | 0 | 112.4 | R224 K234 E401 | R224-H374 PolarHBondContact NH2-ND1 3.35Å; K234-H374 WeakPolarHBondContact O-CA 3.45Å; H374-E401 HydrophobicContact CB-CG 4.14Å; H374-E401 IonicContact CE1-OE2 3.32Å; H374-E401 IonicContact CG-OE2 3.41Å; H374-E401 PolarHBondContact N-OE2 3.37Å; H374-E401 IonicContact ND1-OE1 3.61Å; H374-E401 IonicContact ND1-OE2 2.85Å; H374-E401 PolarHBondContact ND1-OE2 3.13Å; H374-E401 WeakPolarHBondContact O-CB 3.43Å; H374-E401 WeakPolarHBondContact O-CG 3.47Å; H374-E401 PolarHBondContact O-N 2.83Å |
| 375 | A | 92.9 | Very high | 92.1 | Very high | 6 Ų | 6 | 23.7 Ų | 23.7 | 5% | 0.05 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 151.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R233 K234 F236 L399 L400 | R233-A375 CarbonylContact C-O 3.52Å; R233-A375 WeakPolarHBondContact CA-O 3.32Å; K234-A375 PolarHBondContact N-O 2.96Å; K234-A375 PolarHBondContact O-N 2.8Å; F236-A375 HydrophobicContact CE2-CB 3.92Å; A375-L399 CarbonylContact C-O 3.33Å; A375-L399 WeakPolarHBondContact CA-O 3.11Å; A375-L400 HydrophobicContact CB-CD1 3.66Å |
| 376 | S | 94.5 | Very high | 91.6 | Very high | 3 Ų | 3 | 25.9 Ų | 25.9 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 148.7 | 171.5 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | K232 N378 L399 Y444 | K232-S376 CarbonylContact O-C 3.46Å; K232-S376 WeakPolarHBondContact O-CA 3.45Å; S376-N378 VanDerWaalsContact C-N 3.27Å; S376-N378 WeakPolarHBondContact CB-O 3.32Å; S376-N378 PolarHBondContact OG-O 3.01Å; S376-L399 PolarHBondContact N-O 3.01Å; S376-Y444 PolarHBondContact O-OH 2.87Å |
| 377 | E | 93.3 | Very high | 91.2 | Very high | 84 Ų | 84 | 27.7 Ų | 27.7 | 39% | 0.393 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -66.8 | -31.9 | 172.8 | -67 | -147.6 | 105.6 | 0 | 0 | 112.7 | K232 K234 | K232-E377 HydrophobicContact CB-CB 4.23Å; K232-E377 HydrophobicContact CB-CG 3.65Å; K232-E377 WeakPolarHBondContact CB-OE2 3.22Å; K232-E377 WeakPolarHBondContact CD-OE2 3.13Å; K232-E377 PolarHBondContact O-N 2.87Å; K234-E377 HydrophobicContact CD-CG 4.36Å; K234-E377 WeakPolarHBondContact CE-OE1 3.39Å; K234-E377 HydrophobicContact CG-CG 4.05Å; K234-E377 VanDerWaalsContact NZ-CG 3.31Å; K234-E377 IonicContact NZ-OE1 2.72Å; K234-E377 PolarHBondContact NZ-OE1 3.49Å |
| 378 | N | 95 | Very high | 91.1 | Very high | 9 Ų | 9 | 28.6 Ų | 28.6 | 5% | 0.048 | 16% | 0.16 | C | C | . | . | trans | -137.9 | 149.4 | -177.8 | 61.1 | -63.6 | 0 | 0 | 0 | 109.7 | F231 S376 A380 E441 L486 | F231-N378 VanDerWaalsContact CD1-ND2 3.31Å; F231-N378 WeakPolarHBondContact CD1-ND2 3.42Å; F231-N378 VanDerWaalsContact CE1-ND2 3.33Å; F231-N378 WeakPolarHBondContact CE1-ND2 3.31Å; S376-N378 VanDerWaalsContact C-N 3.27Å; S376-N378 WeakPolarHBondContact CB-O 3.32Å; S376-N378 PolarHBondContact OG-O 3.01Å; N378-A380 PolarHBondContact ND2-O 2.78Å; N378-E441 WeakPolarHBondContact CA-OE2 3.42Å; N378-L486 HydrophobicContact CB-CD1 3.83Å; N378-L486 HydrophobicContact CB-CD2 3.82Å; N378-L486 HydrophobicContact CB-CG 4.5Å | ||
| 379 | A | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -88.7 | -26.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | A393 L394 L399 R440 E441 Y444 | A379-A393 WeakPolarHBondContact O-CA 3.49Å; A379-L394 PolarHBondContact O-N 3Å; A379-L399 HydrophobicContact CB-CD1 3.61Å; A379-L399 HydrophobicContact CB-CD2 4.49Å; A379-R440 HydrophobicContact CB-CG 4.27Å; A379-E441 WeakPolarHBondContact CA-OE1 3.29Å; A379-E441 PolarHBondContact N-OE1 2.83Å; A379-E441 PolarHBondContact N-OE2 2.86Å; A379-Y444 HydrophobicContact CB-CD1 3.85Å; A379-Y444 HydrophobicContact CB-CD2 4.09Å; A379-Y444 HydrophobicContact CB-CE1 4.44Å; A379-Y444 HydrophobicContact CB-CG 3.66Å |
| 380 | A | 97.7 | Very high | 91.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 163.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N378 V392 A393 M423 L437 R440 E441 | N378-A380 PolarHBondContact ND2-O 2.78Å; A380-V392 CarbonylContact C-O 3.25Å; A380-V392 WeakPolarHBondContact CA-O 3.28Å; A380-V392 WeakPolarHBondContact CB-O 3.34Å; A380-A393 HydrophobicContact CB-CB 4.35Å; A380-M423 HydrophobicContact CB-CE 4.11Å; A380-M423 HydrophobicContact CB-SD 3.5Å; A380-M423 VanDerWaalsContact CB-SD 3.5Å; A380-L437 HydrophobicContact CB-CD2 3.87Å; A380-R440 HydrophobicContact CB-CG 3.95Å; A380-E441 PolarHBondContact N-OE1 2.9Å |
| 381 | L | 97.1 | Very high | 92.1 | Very high | 6 Ų | 6 | 26.1 Ų | 26.1 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 162.7 | 168.2 | 63.4 | 86.1 | 0 | 0 | 0 | 109.1 | F231 R383 V392 L486 | F231-L381 HydrophobicContact CD1-CD2 4.21Å; F231-L381 HydrophobicContact CD2-CD2 4.2Å; F231-L381 HydrophobicContact CE1-CD2 3.93Å; F231-L381 HydrophobicContact CE1-CG 4.17Å; F231-L381 HydrophobicContact CE2-CD2 3.93Å; F231-L381 HydrophobicContact CE2-CG 4.28Å; F231-L381 HydrophobicContact CG-CD2 4.34Å; F231-L381 HydrophobicContact CZ-CD2 3.78Å; F231-L381 HydrophobicContact CZ-CG 3.81Å; L381-R383 HydrophobicContact CD1-CG 3.85Å; L381-V392 HydrophobicContact CD1-CB 3.65Å; L381-V392 HydrophobicContact CD1-CG1 4.2Å; L381-V392 HydrophobicContact CD1-CG2 3.67Å; L381-V392 HydrophobicContact CG-CB 3.96Å; L381-V392 HydrophobicContact CG-CG1 4.37Å; L381-V392 PolarHBondContact N-O 3.48Å; L381-V392 WeakPolarHBondContact O-CA 3.28Å; L381-V392 WeakPolarHBondContact O-CB 3.49Å; L381-V392 PolarHBondContact O-N 3.12Å; L381-V392 VanDerWaalsContact O-O 3.06Å; L381-L486 CarbonylContact C-O 3.51Å; L381-L486 VanDerWaalsContact CA-O 3.29Å; L381-L486 WeakPolarHBondContact CA-O 3.47Å; L381-L486 HydrophobicContact CB-CB 4.23Å; L381-L486 VanDerWaalsContact CB-O 3.31Å; L381-L486 WeakPolarHBondContact CB-O 3.45Å |
| 382 | V | 97.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 134.1 | 174.3 | 172.6 | 0 | 0 | 0 | 0 | 109.1 | L390 L391 W427 V433 L437 L486 Y487 V488 | V382-L390 WeakPolarHBondContact CA-O 3.45Å; V382-L391 HydrophobicContact CG2-CD1 3.59Å; V382-W427 HydrophobicContact CG1-CH2 3.88Å; V382-W427 HydrophobicContact CG1-CZ3 4.24Å; V382-W427 HydrophobicContact CG2-CH2 4.21Å; V382-W427 HydrophobicContact CG2-CZ3 3.84Å; V382-V433 HydrophobicContact CB-CG1 3.77Å; V382-V433 HydrophobicContact CG1-CG1 3.87Å; V382-V433 HydrophobicContact CG2-CG1 3.9Å; V382-L437 HydrophobicContact CB-CD1 4.4Å; V382-L437 HydrophobicContact CG2-CD1 4.17Å; V382-L437 HydrophobicContact CG2-CD2 4.33Å; V382-L437 HydrophobicContact CG2-CG 4.33Å; V382-L486 PolarHBondContact N-O 3.45Å; V382-Y487 HydrophobicContact CB-CD2 4.33Å; V382-Y487 HydrophobicContact CG1-CD2 4.11Å; V382-Y487 HydrophobicContact CG1-CE2 4.34Å; V382-Y487 CarbonylContact O-C 3.16Å; V382-Y487 WeakPolarHBondContact O-CA 3.34Å; V382-V488 PolarHBondContact O-N 3.44Å |
| 383 | R | 94.8 | Very high | 93.3 | Very high | 15 Ų | 15 | 25.5 Ų | 25.5 | 6% | 0.057 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 150.1 | 171.7 | -60.7 | -173.7 | 178.2 | -150.1 | 3.2 | 109.8 | E187 W199 E229 L381 Q389 L390 V392 V488 L492 | E187-R383 IonicContact OE1-NH1 3.2Å; W199-R383 HydrophobicContact CH2-CB 3.65Å; W199-R383 HydrophobicContact CH2-CG 4.39Å; W199-R383 HydrophobicContact CZ2-CB 3.66Å; E229-R383 VanDerWaalsContact CB-NH2 3.29Å; E229-R383 PolarHBondContact O-NH2 3.4Å; E229-R383 IonicContact OE2-NH1 3.8Å; E229-R383 IonicContact OE2-NH2 2.68Å; E229-R383 PolarHBondContact OE2-NH2 3.05Å; L381-R383 HydrophobicContact CD1-CG 3.85Å; R383-Q389 WeakPolarHBondContact O-CA 3.45Å; R383-L390 PolarHBondContact N-O 3.43Å; R383-L390 PolarHBondContact O-N 3.17Å; R383-V392 HydrophobicContact CG-CG2 4.32Å; R383-V488 WeakPolarHBondContact CA-O 3.11Å; R383-L492 VanDerWaalsContact NH1-CD1 3.26Å |
| 384 | E | 92.9 | Very high | 94 | Very high | 39 Ų | 39 | 22.2 Ų | 22.2 | 18% | 0.182 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 133.9 | 174.7 | -174.8 | 167.5 | -143 | 0 | 0 | 111 | H388 Q389 Y487 V488 T489 | E384-H388 WeakPolarHBondContact CA-O 3.48Å; E384-Q389 HydrophobicContact CB-CG 4.21Å; E384-Q389 HydrophobicContact CG-CG 3.82Å; E384-Q389 VanDerWaalsContact OE1-CG 3.25Å; E384-Q389 WeakPolarHBondContact OE1-CG 3.46Å; E384-Q389 PolarHBondContact OE1-NE2 3.47Å; E384-Y487 HydrophobicContact CB-CE2 4.12Å; E384-Y487 VanDerWaalsContact OE2-CE2 3.28Å; E384-Y487 WeakPolarHBondContact OE2-CE2 3.45Å; E384-Y487 VanDerWaalsContact OE2-CZ 3.27Å; E384-Y487 PolarHBondContact OE2-OH 3.18Å; E384-V488 PolarHBondContact N-O 2.91Å; E384-T489 HydrophobicContact CB-CG2 4.32Å |
| 385 | R | 89.6 | Confident | 94.3 | Very high | 21 Ų | 21 | 20.3 Ų | 20.3 | 8% | 0.079 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 134.6 | -177.5 | -70.7 | -65.7 | -176.2 | -86.3 | -11.7 | 109.2 | E187 P188 W199 G387 H388 V488 T489 G490 E491 L492 | E187-R385 HydrophobicContact CB-CG 4.19Å; E187-R385 HydrophobicContact CG-CG 4.49Å; E187-R385 IonicContact OE1-CZ 3.63Å; E187-R385 IonicContact OE1-NE 2.66Å; E187-R385 PolarHBondContact OE1-NE 2.82Å; E187-R385 IonicContact OE1-NH2 3.61Å; E187-R385 PolarHBondContact OE1-NH2 3.06Å; E187-R385 IonicContact OE2-CZ 3.63Å; E187-R385 IonicContact OE2-NE 2.71Å; E187-R385 PolarHBondContact OE2-NE 2.89Å; E187-R385 IonicContact OE2-NH2 3.51Å; E187-R385 PolarHBondContact OE2-NH2 3.09Å; P188-R385 HydrophobicContact CG-CB 4.15Å; W199-R385 HydrophobicContact CH2-CB 4.42Å; W199-R385 HydrophobicContact CH2-CG 3.66Å; W199-R385 HydrophobicContact CZ2-CB 3.81Å; W199-R385 HydrophobicContact CZ2-CG 3.47Å; W199-R385 VanDerWaalsContact CZ2-CG 3.47Å; R385-G387 PolarHBondContact O-N 3Å; R385-H388 PolarHBondContact N-O 2.85Å; R385-H388 VanDerWaalsContact N-O 3.11Å; R385-H388 WeakPolarHBondContact O-CA 3.29Å; R385-H388 WeakPolarHBondContact O-CB 3.39Å; R385-H388 PolarHBondContact O-N 2.91Å; R385-V488 PolarHBondContact NH1-O 3.38Å; R385-T489 VanDerWaalsContact NH1-C 3.33Å; R385-T489 PolarHBondContact NH1-O 3.46Å; R385-G490 VanDerWaalsContact NH1-C 3.32Å; R385-G490 PolarHBondContact NH1-O 2.69Å; R385-G490 PolarHBondContact NH2-O 3.03Å; R385-E491 VanDerWaalsContact NH2-C 3.34Å; R385-L492 VanDerWaalsContact NH2-N 3.17Å |
| 386 | S | 84.2 | Confident | 94.4 | Very high | 54 Ų | 54 | 20.3 Ų | 20.3 | 38% | 0.378 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.2 | 41.5 | 173.8 | -44.3 | 0 | 0 | 0 | 0 | 113.1 | H388 | S386-H388 PolarHBondContact O-N 2.84Å; S386-H388 PolarHBondContact O-ND1 2.89Å |
| 387 | G | 85.1 | Confident | 94.4 | Very high | 69 Ų | 69 | 22.8 Ų | 22.8 | 71% | 0.711 | 13% | 0.134 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74.5 | -7.5 | -176 | 0 | 0 | 0 | 0 | 0 | 116.9 | R385 | R385-G387 PolarHBondContact O-N 3Š|
| 388 | H | 90.3 | Very high | 94.4 | Very high | 50 Ų | 50 | 18.9 Ų | 18.9 | 23% | 0.231 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 123.9 | -178 | -63.4 | 79 | 0 | 0 | 0 | 111.4 | P188 Q192 W199 E384 R385 S386 | P188-H388 HydrophobicContact CG-CB 3.85Å; Q192-H388 PolarHBondContact OE1-CE1 2.81Å; W199-H388 PolarHBondContact NE1-O 2.6Å; E384-H388 WeakPolarHBondContact CA-O 3.48Å; R385-H388 PolarHBondContact N-O 2.85Å; R385-H388 VanDerWaalsContact N-O 3.11Å; R385-H388 WeakPolarHBondContact O-CA 3.29Å; R385-H388 WeakPolarHBondContact O-CB 3.39Å; R385-H388 PolarHBondContact O-N 2.91Å; S386-H388 PolarHBondContact O-N 2.84Å; S386-H388 PolarHBondContact O-ND1 2.89Å |
| 389 | Q | 94.6 | Very high | 94.4 | Very high | 67 Ų | 67 | 18.5 Ų | 18.5 | 31% | 0.313 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.8 | 179.2 | -63.9 | -178.3 | 5.4 | 0 | 0 | 111.8 | R383 E384 W427 | R383-Q389 WeakPolarHBondContact O-CA 3.45Å; E384-Q389 HydrophobicContact CB-CG 4.21Å; E384-Q389 HydrophobicContact CG-CG 3.82Å; E384-Q389 VanDerWaalsContact OE1-CG 3.25Å; E384-Q389 WeakPolarHBondContact OE1-CG 3.46Å; E384-Q389 PolarHBondContact OE1-NE2 3.47Å; Q389-W427 HydrophobicContact CB-CH2 3.92Å; Q389-W427 HydrophobicContact CB-CZ2 3.89Å; Q389-W427 VanDerWaalsContact OE1-CH2 3.31Å |
| 390 | L | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 119.3 | 176.6 | 172.8 | 64.2 | 0 | 0 | 0 | 110.4 | L185 W199 F215 D216 V218 V382 R383 V392 | L185-L390 HydrophobicContact CD1-CD2 3.78Å; L185-L390 HydrophobicContact CD2-CD2 4.11Å; W199-L390 HydrophobicContact CB-CB 4.45Å; W199-L390 HydrophobicContact CB-CD1 4.48Å; W199-L390 HydrophobicContact CB-CD2 4.21Å; W199-L390 HydrophobicContact CD2-CB 3.74Å; W199-L390 HydrophobicContact CD2-CD2 3.63Å; W199-L390 HydrophobicContact CD2-CG 4.28Å; W199-L390 HydrophobicContact CE3-CB 4.43Å; W199-L390 HydrophobicContact CE3-CD2 3.5Å; W199-L390 HydrophobicContact CG-CB 3.74Å; W199-L390 HydrophobicContact CG-CD2 3.97Å; W199-L390 HydrophobicContact CG-CG 4.31Å; W199-L390 HydrophobicContact CZ2-CB 4.33Å; W199-L390 HydrophobicContact CZ3-CD2 4.06Å; F215-L390 HydrophobicContact CD2-CD1 3.7Å; F215-L390 HydrophobicContact CE2-CD1 3.9Å; F215-L390 HydrophobicContact CE2-CD2 4.35Å; D216-L390 WeakPolarHBondContact O-CA 3.32Å; V218-L390 HydrophobicContact CB-CD1 4.26Å; V218-L390 HydrophobicContact CG1-CD1 3.98Å; V218-L390 HydrophobicContact CG1-CD2 4.17Å; V218-L390 HydrophobicContact CG1-CG 4.27Å; V382-L390 WeakPolarHBondContact CA-O 3.45Å; R383-L390 PolarHBondContact N-O 3.43Å; R383-L390 PolarHBondContact O-N 3.17Å; L390-V392 HydrophobicContact CD2-CG2 4.08Å; L390-V392 HydrophobicContact CG-CG2 3.87Å |
| 391 | L | 97.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 119.9 | 173.2 | 179.2 | 60.8 | 0 | 0 | 0 | 110.5 | D216 V217 V218 V382 M423 V424 W427 | D216-L391 PolarHBondContact O-N 2.89Å; V217-L391 CarbonylContact C-O 3.6Å; V217-L391 WeakPolarHBondContact CA-O 3.38Å; V217-L391 HydrophobicContact CG2-CB 4.3Å; V217-L391 HydrophobicContact CG2-CD2 4.42Å; V218-L391 PolarHBondContact N-O 3.29Å; V382-L391 HydrophobicContact CG2-CD1 3.59Å; L391-M423 HydrophobicContact CD1-CE 3.82Å; L391-M423 HydrophobicContact CD1-SD 4.02Å; L391-M423 HydrophobicContact CD2-CE 3.77Å; L391-M423 HydrophobicContact CD2-CG 4.47Å; L391-M423 HydrophobicContact CG-CE 3.85Å; L391-V424 HydrophobicContact CD2-CG2 4.1Å; L391-W427 HydrophobicContact CB-CD2 4.22Å; L391-W427 HydrophobicContact CB-CE3 4.48Å; L391-W427 HydrophobicContact CB-CZ2 4.37Å; L391-W427 HydrophobicContact CD1-CE3 4.41Å; L391-W427 HydrophobicContact CD2-CB 3.82Å; L391-W427 HydrophobicContact CD2-CD2 3.89Å; L391-W427 HydrophobicContact CD2-CE3 4.2Å; L391-W427 HydrophobicContact CD2-CG 3.73Å |
| 392 | V | 97.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 126.8 | -173.5 | -169.4 | 0 | 0 | 0 | 0 | 109.4 | V218 L228 F231 A380 L381 R383 L390 | V218-V392 HydrophobicContact CG1-CB 4.13Å; V218-V392 HydrophobicContact CG1-CG1 3.84Å; V218-V392 HydrophobicContact CG1-CG2 3.94Å; V218-V392 WeakPolarHBondContact O-CA 3.41Å; L228-V392 HydrophobicContact CD1-CG1 3.88Å; F231-V392 HydrophobicContact CE2-CB 4.48Å; F231-V392 HydrophobicContact CE2-CG1 3.51Å; F231-V392 HydrophobicContact CZ-CB 4.3Å; F231-V392 HydrophobicContact CZ-CG1 3.75Å; A380-V392 CarbonylContact C-O 3.25Å; A380-V392 WeakPolarHBondContact CA-O 3.28Å; A380-V392 WeakPolarHBondContact CB-O 3.34Å; L381-V392 HydrophobicContact CD1-CB 3.65Å; L381-V392 HydrophobicContact CD1-CG1 4.2Å; L381-V392 HydrophobicContact CD1-CG2 3.67Å; L381-V392 HydrophobicContact CG-CB 3.96Å; L381-V392 HydrophobicContact CG-CG1 4.37Å; L381-V392 PolarHBondContact N-O 3.48Å; L381-V392 WeakPolarHBondContact O-CA 3.28Å; L381-V392 WeakPolarHBondContact O-CB 3.49Å; L381-V392 PolarHBondContact O-N 3.12Å; L381-V392 VanDerWaalsContact O-O 3.06Å; R383-V392 HydrophobicContact CG-CG2 4.32Å; L390-V392 HydrophobicContact CD2-CG2 4.08Å; L390-V392 HydrophobicContact CG-CG2 3.87Å |
| 393 | A | 97.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 155.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | V218 V219 G220 A379 A380 T420 M423 | V218-A393 PolarHBondContact O-N 3.36Å; V219-A393 CarbonylContact C-O 3.59Å; V219-A393 WeakPolarHBondContact CA-O 3.43Å; G220-A393 PolarHBondContact N-O 3.21Å; A379-A393 WeakPolarHBondContact O-CA 3.49Å; A380-A393 HydrophobicContact CB-CB 4.35Å; A393-T420 HydrophobicContact CB-CG2 3.83Å; A393-M423 HydrophobicContact CB-CE 3.71Å |
| 394 | L | 97.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 142 | 173 | -59 | -173.8 | 0 | 0 | 0 | 112.3 | N226 L228 F231 A379 L399 | N226-L394 WeakPolarHBondContact OD1-CD2 3.34Å; L228-L394 HydrophobicContact CB-CD2 4.35Å; L228-L394 HydrophobicContact CD1-CD2 4.13Å; F231-L394 HydrophobicContact CB-CD1 3.78Å; F231-L394 HydrophobicContact CD1-CD1 3.69Å; F231-L394 HydrophobicContact CD1-CG 3.88Å; F231-L394 HydrophobicContact CD2-CD1 3.86Å; F231-L394 HydrophobicContact CD2-CD2 3.89Å; F231-L394 HydrophobicContact CD2-CG 3.86Å; F231-L394 HydrophobicContact CE1-CD1 4.23Å; F231-L394 HydrophobicContact CE1-CG 3.88Å; F231-L394 HydrophobicContact CE2-CD1 4.37Å; F231-L394 HydrophobicContact CE2-CD2 3.82Å; F231-L394 HydrophobicContact CE2-CG 3.86Å; F231-L394 HydrophobicContact CG-CD1 3.48Å; F231-L394 VanDerWaalsContact CG-CD1 3.48Å; F231-L394 HydrophobicContact CG-CD2 4.37Å; F231-L394 HydrophobicContact CG-CG 3.87Å; F231-L394 HydrophobicContact CZ-CD2 4.26Å; F231-L394 HydrophobicContact CZ-CG 3.88Å; A379-L394 PolarHBondContact O-N 3Å; L394-L399 HydrophobicContact CB-CB 3.9Å; L394-L399 HydrophobicContact CB-CD1 4.12Å |
| 395 | V | 97 | Very high | 91.6 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 15% | 0.149 | C | C | . | . | trans | -141.9 | 132 | -179.1 | 178.2 | 0 | 0 | 0 | 0 | 112.2 | C96 V219 G220 S398 A416 A417 T420 | C96-V395 HydrophobicContact CB-CG1 3.97Å; V219-V395 HydrophobicContact CG1-CB 4.11Å; V219-V395 HydrophobicContact CG1-CG2 3.65Å; G220-V395 PolarHBondContact O-N 3.32Å; G220-V395 VanDerWaalsContact O-N 3.09Å; V395-S398 PolarHBondContact N-OG 2.9Å; V395-S398 PolarHBondContact O-OG 2.99Å; V395-S398 VanDerWaalsContact O-OG 3.06Å; V395-A416 HydrophobicContact CG1-CB 4.15Å; V395-A417 HydrophobicContact CG1-CB 4.02Å; V395-T420 HydrophobicContact CG2-CG2 4Å; V395-T420 VanDerWaalsContact CG2-OG1 3.28Å; V395-T420 WeakPolarHBondContact CG2-OG1 3.45Å | ||
| 396 | G | 95.1 | Very high | 91.1 | Very high | 7 Ų | 7 | 31.3 Ų | 31.3 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 82.4 | -146.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S398 L399 L400 | G396-S398 PolarHBondContact O-N 2.85Å; G396-L399 WeakPolarHBondContact O-CA 3.37Å; G396-L399 WeakPolarHBondContact O-CB 3.41Å; G396-L399 PolarHBondContact O-N 3.44Å; G396-L400 PolarHBondContact O-N 3.3Å |
| 397 | D | 93.1 | Very high | 91.2 | Very high | 55 Ų | 55 | 29.1 Ų | 29.1 | 29% | 0.294 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.8 | -175.1 | -47 | 4.5 | 0 | 0 | 0 | 113.8 | ||
| 398 | S | 93.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.007 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -36.8 | 169.9 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | G220 G223 R233 V395 G396 | G220-S398 PolarHBondContact O-OG 2.79Å; G223-S398 WeakPolarHBondContact O-CA 3.35Å; G223-S398 WeakPolarHBondContact O-CB 3.35Å; R233-S398 PolarHBondContact NH2-O 2.76Å; V395-S398 PolarHBondContact N-OG 2.9Å; V395-S398 PolarHBondContact O-OG 2.99Å; V395-S398 VanDerWaalsContact O-OG 3.06Å; G396-S398 PolarHBondContact O-N 2.85Å |
| 399 | L | 95.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -47.6 | 179.2 | 177.4 | 68.4 | 0 | 0 | 0 | 112.1 | A375 S376 A379 L394 G396 A416 Y444 L447 | A375-L399 CarbonylContact C-O 3.33Å; A375-L399 WeakPolarHBondContact CA-O 3.11Å; S376-L399 PolarHBondContact N-O 3.01Å; A379-L399 HydrophobicContact CB-CD1 3.61Å; A379-L399 HydrophobicContact CB-CD2 4.49Å; L394-L399 HydrophobicContact CB-CB 3.9Å; L394-L399 HydrophobicContact CB-CD1 4.12Å; G396-L399 WeakPolarHBondContact O-CA 3.37Å; G396-L399 WeakPolarHBondContact O-CB 3.41Å; G396-L399 PolarHBondContact O-N 3.44Å; L399-A416 HydrophobicContact CD2-CB 3.73Å; L399-Y444 HydrophobicContact CD1-CD2 4.12Å; L399-Y444 HydrophobicContact CD1-CE1 4.33Å; L399-Y444 HydrophobicContact CD1-CE2 3.6Å; L399-Y444 HydrophobicContact CD2-CD2 4.11Å; L399-Y444 HydrophobicContact CD2-CE2 3.96Å; L399-Y444 HydrophobicContact CG-CD2 4.32Å; L399-Y444 HydrophobicContact CG-CE2 3.7Å; L399-Y444 PolarHBondContact O-OH 2.95Å; L399-L447 HydrophobicContact CD2-CD2 3.7Å |
| 400 | L | 93.5 | Very high | 91.5 | Very high | 25 Ų | 25 | 21.6 Ų | 21.6 | 13% | 0.131 | 11% | 0.113 | C | C | . | . | B | Isolated β-bridge | trans | -151.6 | 112.7 | -174.3 | 174.8 | 62.4 | 0 | 0 | 0 | 109.9 | A375 G396 L447 P448 | A375-L400 HydrophobicContact CB-CD1 3.66Å; G396-L400 PolarHBondContact O-N 3.3Å; L400-L447 HydrophobicContact CD2-CD2 4.27Å; L400-L447 HydrophobicContact CD2-CG 4.18Å; L400-P448 HydrophobicContact CD2-CB 4.34Å; L400-P448 HydrophobicContact CD2-CG 4.24Å |
| 401 | E | 90.7 | Very high | 91.4 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 9% | 0.089 | 11% | 0.113 | C | C | . | . | trans | -69.6 | 128.3 | 178.4 | -67.2 | -172.3 | 157.2 | 0 | 0 | 111.3 | R224 H374 | R224-E401 WeakPolarHBondContact CB-OE1 3.48Å; R224-E401 VanDerWaalsContact CG-OE1 3.29Å; R224-E401 WeakPolarHBondContact CG-OE1 3.37Å; R224-E401 IonicContact CZ-OE1 3.61Å; R224-E401 IonicContact CZ-OE2 2.76Å; R224-E401 IonicContact NE-OE1 3.6Å; R224-E401 PolarHBondContact NE-OE1 2.95Å; R224-E401 IonicContact NE-OE2 2.78Å; R224-E401 IonicContact NH2-OE1 2.75Å; R224-E401 PolarHBondContact NH2-OE1 3.42Å; R224-E401 IonicContact NH2-OE2 2.7Å; R224-E401 PolarHBondContact NH2-OE2 2.88Å; H374-E401 HydrophobicContact CB-CG 4.14Å; H374-E401 IonicContact CE1-OE2 3.32Å; H374-E401 IonicContact CG-OE2 3.41Å; H374-E401 PolarHBondContact N-OE2 3.37Å; H374-E401 IonicContact ND1-OE1 3.61Å; H374-E401 IonicContact ND1-OE2 2.85Å; H374-E401 PolarHBondContact ND1-OE2 3.13Å; H374-E401 WeakPolarHBondContact O-CB 3.43Å; H374-E401 WeakPolarHBondContact O-CG 3.47Å; H374-E401 PolarHBondContact O-N 2.83Å | ||
| 402 | P | 88.3 | Confident | 91.4 | Very high | 17 Ų | 17 | 23.8 Ų | 23.8 | 11% | 0.11 | 12% | 0.121 | C | C | . | . | trans | -89 | 138.4 | -178.8 | 32.5 | -32.7 | 0 | 0 | 0 | 112.8 | W404 | P402-W404 PolarHBondContact O-N 3.24Å; P402-W404 PolarHBondContact O-NE1 2.89Å | ||
| 403 | F | 83.7 | Confident | 91.3 | Very high | 54 Ų | 54 | 23.9 Ų | 23.9 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | trans | -75.9 | 103.3 | 165.3 | -172.8 | -106.1 | 0 | 0 | 0 | 109.6 | F370 M373 P405 M406 | F370-F403 HydrophobicContact CB-CE2 4.25Å; F370-F403 AromaticContact CD2-CD2 3.89Å; F370-F403 HydrophobicContact CD2-CD2 3.89Å; F370-F403 AromaticContact CD2-CE2 3.49Å; F370-F403 HydrophobicContact CD2-CE2 3.49Å; F370-F403 VanDerWaalsContact CD2-CE2 3.49Å; F370-F403 HydrophobicContact CD2-CZ 4.3Å; F370-F403 HydrophobicContact CE2-CD2 4.36Å; F370-F403 HydrophobicContact CE2-CE2 4.14Å; F370-F403 HydrophobicContact CG-CD2 4.31Å; F370-F403 HydrophobicContact CG-CE2 4.17Å; M373-F403 HydrophobicContact SD-CB 3.94Å; M373-F403 HydrophobicContact SD-CD2 4.33Å; F403-P405 VanDerWaalsContact C-CD 3.48Å; F403-P405 HydrophobicContact CD1-CB 4.33Å; F403-P405 HydrophobicContact CD1-CG 4.32Å; F403-P405 HydrophobicContact CE1-CB 3.82Å; F403-P405 HydrophobicContact CE1-CG 3.82Å; F403-P405 HydrophobicContact CZ-CB 4.4Å; F403-P405 HydrophobicContact CZ-CG 3.97Å; F403-M406 HydrophobicContact CD1-CB 4.19Å; F403-M406 HydrophobicContact CD1-CE 4.08Å; F403-M406 HydrophobicContact CD1-CG 3.74Å; F403-M406 HydrophobicContact CD1-SD 3.82Å; F403-M406 HydrophobicContact CE1-CE 4.29Å; F403-M406 HydrophobicContact CE1-CG 4.32Å; F403-M406 PolarHBondContact O-N 3.39Å; F403-M406 VanDerWaalsContact O-N 3.07Å | ||
| 404 | W | 82.8 | Confident | 91.3 | Very high | 85 Ų | 85 | 23.9 Ų | 23.9 | 32% | 0.322 | 12% | 0.122 | S | C | . | . | G | 310 helix | trans | -57.4 | -37.7 | -168.6 | -50.1 | -19.3 | 0 | 0 | 0 | 114.9 | T245 F368 F370 P402 M406 G407 | T245-W404 HydrophobicContact CG2-CE3 4.13Å; T245-W404 HydrophobicContact CG2-CZ3 3.87Å; F368-W404 HydrophobicContact CB-CH2 4.27Å; F368-W404 HydrophobicContact CB-CZ3 4.46Å; F368-W404 AromaticContact CD1-CH2 3.7Å; F368-W404 HydrophobicContact CD1-CH2 3.7Å; F368-W404 HydrophobicContact CD1-CZ3 4.37Å; F368-W404 AromaticContact CD2-CH2 3.76Å; F368-W404 HydrophobicContact CD2-CH2 3.76Å; F368-W404 AromaticContact CD2-CZ3 3.56Å; F368-W404 HydrophobicContact CD2-CZ3 3.56Å; F368-W404 AromaticContact CE1-CH2 3.89Å; F368-W404 HydrophobicContact CE1-CH2 3.89Å; F368-W404 AromaticContact CE2-CH2 3.95Å; F368-W404 HydrophobicContact CE2-CH2 3.95Å; F368-W404 AromaticContact CE2-CZ3 3.78Å; F368-W404 HydrophobicContact CE2-CZ3 3.78Å; F368-W404 AromaticContact CG-CH2 3.63Å; F368-W404 HydrophobicContact CG-CH2 3.63Å; F368-W404 AromaticContact CG-CZ3 3.87Å; F368-W404 HydrophobicContact CG-CZ3 3.87Å; F368-W404 HydrophobicContact CZ-CH2 4.01Å; F368-W404 HydrophobicContact CZ-CZ3 4.27Å; F370-W404 AromaticContact CE1-CD2 3.8Å; F370-W404 HydrophobicContact CE1-CD2 3.8Å; F370-W404 AromaticContact CE1-CE3 3.88Å; F370-W404 HydrophobicContact CE1-CE3 3.88Å; F370-W404 HydrophobicContact CE1-CG 4.27Å; F370-W404 HydrophobicContact CE1-CH2 4.35Å; F370-W404 HydrophobicContact CE1-CZ2 4.3Å; F370-W404 HydrophobicContact CE1-CZ3 4.15Å; F370-W404 HydrophobicContact CZ-CB 3.98Å; F370-W404 AromaticContact CZ-CD2 3.6Å; F370-W404 HydrophobicContact CZ-CD2 3.6Å; F370-W404 AromaticContact CZ-CE3 3.56Å; F370-W404 HydrophobicContact CZ-CE3 3.56Å; F370-W404 AromaticContact CZ-CG 3.83Å; F370-W404 HydrophobicContact CZ-CG 3.83Å; F370-W404 HydrophobicContact CZ-CZ3 4.19Å; P402-W404 PolarHBondContact O-N 3.24Å; P402-W404 PolarHBondContact O-NE1 2.89Å; W404-M406 PolarHBondContact O-N 3.08Å; W404-M406 VanDerWaalsContact O-N 3.12Å; W404-G407 PolarHBondContact O-N 3.1Å |
| 405 | P | 79.1 | Confident | 91.4 | Very high | 20 Ų | 20 | 23.9 Ų | 23.9 | 13% | 0.13 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -67.3 | -8.9 | 178.2 | -20.8 | 33.1 | 0 | 0 | 0 | 115.2 | N287 V289 T301 F370 F403 | N287-P405 WeakPolarHBondContact ND2-CB 3.39Å; V289-P405 HydrophobicContact CG2-CB 4.43Å; T301-P405 HydrophobicContact CG2-CG 4.24Å; F370-P405 VanDerWaalsContact CE2-CD 3.49Å; F370-P405 HydrophobicContact CE2-CG 3.83Å; F403-P405 VanDerWaalsContact C-CD 3.48Å; F403-P405 HydrophobicContact CD1-CB 4.33Å; F403-P405 HydrophobicContact CD1-CG 4.32Å; F403-P405 HydrophobicContact CE1-CB 3.82Å; F403-P405 HydrophobicContact CE1-CG 3.82Å; F403-P405 HydrophobicContact CZ-CB 4.4Å; F403-P405 HydrophobicContact CZ-CG 3.97Å |
| 406 | M | 79.8 | Confident | 91.4 | Very high | 131 Ų | 131 | 23.8 Ų | 23.8 | 65% | 0.645 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -96.1 | -0.8 | 168.6 | -74.3 | 170.4 | -173.7 | 0 | 0 | 113 | F403 W404 T408 | F403-M406 HydrophobicContact CD1-CB 4.19Å; F403-M406 HydrophobicContact CD1-CE 4.08Å; F403-M406 HydrophobicContact CD1-CG 3.74Å; F403-M406 HydrophobicContact CD1-SD 3.82Å; F403-M406 HydrophobicContact CE1-CE 4.29Å; F403-M406 HydrophobicContact CE1-CG 4.32Å; F403-M406 PolarHBondContact O-N 3.39Å; F403-M406 VanDerWaalsContact O-N 3.07Å; W404-M406 PolarHBondContact O-N 3.08Å; W404-M406 VanDerWaalsContact O-N 3.12Å; M406-T408 HydrophobicContact CB-CG2 3.9Å; M406-T408 PolarHBondContact O-N 2.98Å; M406-T408 VanDerWaalsContact O-N 3.13Å |
| 407 | G | 84.8 | Confident | 91.6 | Very high | 8 Ų | 8 | 23.5 Ų | 23.5 | 8% | 0.082 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.3 | 21.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | W129 W404 | W129-G407 PolarHBondContact NE1-O 3.22Å; W404-G407 PolarHBondContact O-N 3.1Å |
| 408 | T | 90.1 | Very high | 91.8 | Very high | 11 Ų | 11 | 21.1 Ų | 21.1 | 7% | 0.067 | 11% | 0.105 | C | C | . | . | trans | -79.7 | -19.7 | -169.4 | 52.2 | 0 | 0 | 0 | 0 | 114.5 | W129 M406 A411 R412 | W129-T408 HydrophobicContact CZ2-CG2 3.97Å; M406-T408 HydrophobicContact CB-CG2 3.9Å; M406-T408 PolarHBondContact O-N 2.98Å; M406-T408 VanDerWaalsContact O-N 3.13Å; T408-A411 PolarHBondContact O-N 3.2Å; T408-R412 WeakPolarHBondContact O-CB 3.49Å; T408-R412 WeakPolarHBondContact O-CG 3.2Å; T408-R412 PolarHBondContact O-N 3.48Å | ||
| 409 | G | 91.9 | Very high | 92 | Very high | 13 Ų | 13 | 21 Ų | 21 | 13% | 0.134 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.1 | -58.4 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115 | A411 R412 G413 | G409-A411 PolarHBondContact O-N 3.13Å; G409-R412 PolarHBondContact O-N 3.34Å; G409-G413 PolarHBondContact O-N 3.27Å |
| 410 | C | 94.4 | Very high | 92.2 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.034 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.3 | -39 | -179.8 | -166.4 | 0 | 0 | 0 | 0 | 111.6 | L126 L128 F414 | L126-C410 HydrophobicContact CD1-CB 4.35Å; L128-C410 HydrophobicContact CD2-CB 3.99Å; C410-F414 WeakPolarHBondContact O-CB 3.18Å; C410-F414 VanDerWaalsContact O-CD1 3.22Å; C410-F414 WeakPolarHBondContact O-CD1 3.08Å; C410-F414 WeakPolarHBondContact O-CG 3.34Å; C410-F414 PolarHBondContact O-N 3.44Å; C410-F414 VanDerWaalsContact SG-CE1 3.56Å |
| 411 | A | 95.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 19.8 Ų | 19.8 | 1% | 0.008 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.5 | -50.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W129 Y131 T132 T408 G409 G413 F414 L415 | W129-A411 HydrophobicContact CB-CB 4.21Å; W129-A411 HydrophobicContact CD2-CB 3.24Å; W129-A411 HydrophobicContact CE3-CB 3.46Å; W129-A411 VanDerWaalsContact CE3-CB 3.46Å; W129-A411 HydrophobicContact CG-CB 3.63Å; W129-A411 HydrophobicContact CH2-CB 4.07Å; W129-A411 HydrophobicContact CZ2-CB 3.95Å; W129-A411 HydrophobicContact CZ3-CB 3.87Å; Y131-A411 HydrophobicContact CE1-CB 4.04Å; Y131-A411 PolarHBondContact OH-O 3.09Å; T132-A411 HydrophobicContact CG2-CB 4.25Å; T408-A411 PolarHBondContact O-N 3.2Å; G409-A411 PolarHBondContact O-N 3.13Å; A411-G413 VanDerWaalsContact C-N 3.34Å; A411-F414 PolarHBondContact O-N 3.29Å; A411-L415 WeakPolarHBondContact O-CG 3.23Å; A411-L415 PolarHBondContact O-N 3.4Å |
| 412 | R | 96.6 | Very high | 92.8 | Very high | 45 Ų | 45 | 20 Ų | 20 | 17% | 0.17 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.4 | -33.8 | -179.9 | -68 | -178.5 | 179.7 | -174.3 | -5.9 | 111.7 | T408 G409 A416 L447 P448 T450 | T408-R412 WeakPolarHBondContact O-CB 3.49Å; T408-R412 WeakPolarHBondContact O-CG 3.2Å; T408-R412 PolarHBondContact O-N 3.48Å; G409-R412 PolarHBondContact O-N 3.34Å; R412-A416 WeakPolarHBondContact O-CB 3.4Å; R412-A416 PolarHBondContact O-N 3.14Å; R412-L447 HydrophobicContact CB-CD1 4.04Å; R412-L447 HydrophobicContact CB-CG 4.31Å; R412-L447 HydrophobicContact CG-CD1 4.24Å; R412-L447 PolarHBondContact NE-O 2.62Å; R412-P448 PolarHBondContact NH1-O 2.95Å; R412-P448 PolarHBondContact NH2-O 2.9Å; R412-T450 WeakPolarHBondContact CG-OG1 3.28Å; R412-T450 PolarHBondContact NE-OG1 2.7Å; R412-T450 VanDerWaalsContact NE-OG1 3.07Å; R412-T450 PolarHBondContact NH2-O 3.18Å |
| 413 | G | 96.9 | Very high | 93.2 | Very high | 2 Ų | 2 | 19.3 Ų | 19.3 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -40.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | G409 A411 A417 | G409-G413 PolarHBondContact O-N 3.27Å; A411-G413 VanDerWaalsContact C-N 3.34Å; G413-A417 PolarHBondContact O-N 3.11Å |
| 414 | F | 98.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.5 | -38.5 | 177.8 | -80.2 | 28.7 | 0 | 0 | 0 | 112.2 | P95 R99 Y131 T132 L136 L161 L165 C410 A411 A417 F418 | P95-F414 HydrophobicContact CB-CE1 4.45Å; R99-F414 HydrophobicContact CB-CD1 4.05Å; R99-F414 HydrophobicContact CB-CE1 3.86Å; R99-F414 HydrophobicContact CB-CZ 4.3Å; R99-F414 HydrophobicContact CG-CD1 3.74Å; R99-F414 HydrophobicContact CG-CD2 3.96Å; R99-F414 HydrophobicContact CG-CE1 3.82Å; R99-F414 HydrophobicContact CG-CE2 4.05Å; R99-F414 HydrophobicContact CG-CG 3.82Å; R99-F414 HydrophobicContact CG-CZ 3.99Å; Y131-F414 WeakPolarHBondContact OH-CB 3.29Å; T132-F414 HydrophobicContact CG2-CD2 4.15Å; L136-F414 HydrophobicContact CD1-CE2 4.25Å; L136-F414 HydrophobicContact CD2-CE2 4.02Å; L136-F414 HydrophobicContact CD2-CZ 4.26Å; L136-F414 HydrophobicContact CG-CE2 4.06Å; L161-F414 HydrophobicContact CD1-CZ 4.44Å; L161-F414 HydrophobicContact CD2-CZ 4.47Å; L165-F414 HydrophobicContact CD1-CE1 4.45Å; L165-F414 HydrophobicContact CD1-CZ 4.1Å; C410-F414 WeakPolarHBondContact O-CB 3.18Å; C410-F414 VanDerWaalsContact O-CD1 3.22Å; C410-F414 WeakPolarHBondContact O-CD1 3.08Å; C410-F414 WeakPolarHBondContact O-CG 3.34Å; C410-F414 PolarHBondContact O-N 3.44Å; C410-F414 VanDerWaalsContact SG-CE1 3.56Å; A411-F414 PolarHBondContact O-N 3.29Å; F414-A417 WeakPolarHBondContact O-CB 2.82Å; F414-A417 PolarHBondContact O-N 3.43Å; F414-F418 HydrophobicContact CB-CE2 4.49Å; F414-F418 WeakPolarHBondContact O-CD2 3.41Å; F414-F418 WeakPolarHBondContact O-CG 3.35Å; F414-F418 PolarHBondContact O-N 3.18Å |
| 415 | L | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -59 | -47.4 | 170.8 | -72.1 | 176.4 | 0 | 0 | 0 | 111.2 | Y131 A411 A417 F418 D419 L447 T450 R469 Y470 | Y131-L415 HydrophobicContact CE1-CG 4.45Å; A411-L415 WeakPolarHBondContact O-CG 3.23Å; A411-L415 PolarHBondContact O-N 3.4Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 2.96Å; L415-F418 PolarHBondContact O-N 3.43Å; L415-F418 VanDerWaalsContact O-N 3.16Å; L415-D419 PolarHBondContact O-N 3.47Å; L415-L447 HydrophobicContact CB-CD1 3.79Å; L415-L447 HydrophobicContact CD1-CD1 4.25Å; L415-T450 HydrophobicContact CD1-CG2 3.8Å; L415-R469 HydrophobicContact CD2-CB 4.45Å; L415-Y470 HydrophobicContact CD1-CE1 4.26Å |
| 416 | A | 98 | Very high | 95.4 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -61.6 | -32.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V395 L399 R412 T420 L447 | V395-A416 HydrophobicContact CG1-CB 4.15Å; L399-A416 HydrophobicContact CD2-CB 3.73Å; R412-A416 WeakPolarHBondContact O-CB 3.4Å; R412-A416 PolarHBondContact O-N 3.14Å; A416-T420 VanDerWaalsContact O-CB 3.26Å; A416-T420 WeakPolarHBondContact O-CB 3.16Å; A416-T420 PolarHBondContact O-N 2.82Å; A416-T420 PolarHBondContact O-OG1 3.43Å; A416-L447 HydrophobicContact CB-CD2 4Å |
| 417 | A | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R99 T100 V395 G413 F414 L415 T420 A421 | R99-A417 HydrophobicContact CB-CB 4.44Å; R99-A417 HydrophobicContact CG-CB 4.27Å; T100-A417 VanDerWaalsContact OG1-CB 3.25Å; T100-A417 WeakPolarHBondContact OG1-CB 3.32Å; V395-A417 HydrophobicContact CG1-CB 4.02Å; G413-A417 PolarHBondContact O-N 3.11Å; F414-A417 WeakPolarHBondContact O-CB 2.82Å; F414-A417 PolarHBondContact O-N 3.43Å; L415-A417 VanDerWaalsContact C-N 3.27Å; L415-A417 PolarHBondContact O-N 2.96Å; A417-T420 PolarHBondContact O-N 2.91Å; A417-A421 WeakPolarHBondContact O-CB 3.31Å; A417-A421 PolarHBondContact O-N 3.41Å |
| 418 | F | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 9.4 Ų | 9.4 | 2% | 0.022 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.7 | -41.5 | 175.2 | -59.1 | -41.6 | 0 | 0 | 0 | 112.7 | E103 Y131 F414 L415 T420 A421 W422 I464 R469 | E103-F418 HydrophobicContact CG-CD1 3.97Å; E103-F418 HydrophobicContact CG-CE1 4.07Å; Y131-F418 HydrophobicContact CE2-CE2 4.13Å; F414-F418 HydrophobicContact CB-CE2 4.49Å; F414-F418 WeakPolarHBondContact O-CD2 3.41Å; F414-F418 WeakPolarHBondContact O-CG 3.35Å; F414-F418 PolarHBondContact O-N 3.18Å; L415-F418 PolarHBondContact O-N 3.43Å; L415-F418 VanDerWaalsContact O-N 3.16Å; F418-T420 PolarHBondContact O-N 2.85Å; F418-A421 PolarHBondContact O-N 2.98Å; F418-W422 WeakPolarHBondContact O-CB 3.24Å; F418-W422 PolarHBondContact O-N 3.4Å; F418-I464 HydrophobicContact CD1-CG2 4.2Å; F418-R469 VanDerWaalsContact CB-CZ 3.46Å |
| 419 | D | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -65.7 | -29.9 | 177.9 | -61.6 | -24.5 | 0 | 0 | 0 | 112 | L415 M423 I443 R469 Y470 | L415-D419 PolarHBondContact O-N 3.47Å; D419-M423 WeakPolarHBondContact O-CB 3.42Å; D419-M423 PolarHBondContact O-N 3.03Å; D419-I443 HydrophobicContact CB-CG2 4.12Å; D419-I443 WeakPolarHBondContact OD2-CG2 3.29Å; D419-R469 IonicContact OD1-CZ 2.66Å; D419-R469 IonicContact OD1-NH1 3.08Å; D419-R469 PolarHBondContact OD1-NH1 2.9Å; D419-R469 IonicContact OD1-NH2 2.65Å; D419-R469 PolarHBondContact OD1-NH2 3.16Å; D419-R469 IonicContact OD2-NH1 3.63Å; D419-Y470 WeakPolarHBondContact OD1-CE2 3.36Å; D419-Y470 PolarHBondContact OD2-OH 2.82Å |
| 420 | T | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -79.4 | -38.6 | 175.1 | -57 | 0 | 0 | 0 | 0 | 111.4 | T100 V219 A393 V395 A416 A417 F418 M423 V424 R440 | T100-T420 HydrophobicContact CG2-CG2 4.43Å; V219-T420 HydrophobicContact CG1-CG2 4.46Å; V219-T420 HydrophobicContact CG2-CG2 4.19Å; A393-T420 HydrophobicContact CB-CG2 3.83Å; V395-T420 HydrophobicContact CG2-CG2 4Å; V395-T420 VanDerWaalsContact CG2-OG1 3.28Å; V395-T420 WeakPolarHBondContact CG2-OG1 3.45Å; A416-T420 VanDerWaalsContact O-CB 3.26Å; A416-T420 WeakPolarHBondContact O-CB 3.16Å; A416-T420 PolarHBondContact O-N 2.82Å; A416-T420 PolarHBondContact O-OG1 3.43Å; A417-T420 PolarHBondContact O-N 2.91Å; F418-T420 PolarHBondContact O-N 2.85Å; T420-M423 HydrophobicContact CG2-CE 4.18Å; T420-M423 PolarHBondContact O-N 3.32Å; T420-V424 WeakPolarHBondContact O-CG2 3.35Å; T420-V424 PolarHBondContact O-N 3.09Å; T420-R440 PolarHBondContact OG1-NH2 3.45Å |
| 421 | A | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -42.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112 | E103 L104 M107 A417 F418 M423 V424 K425 I464 | E103-A421 HydrophobicContact CB-CB 3.7Å; E103-A421 HydrophobicContact CG-CB 4.44Å; L104-A421 HydrophobicContact CD2-CB 4.22Å; M107-A421 HydrophobicContact CE-CB 3.96Å; M107-A421 WeakPolarHBondContact CE-O 3.43Å; A417-A421 WeakPolarHBondContact O-CB 3.31Å; A417-A421 PolarHBondContact O-N 3.41Å; F418-A421 PolarHBondContact O-N 2.98Å; A421-M423 VanDerWaalsContact C-N 3.34Å; A421-M423 PolarHBondContact O-N 3.48Å; A421-V424 PolarHBondContact O-N 3.06Å; A421-K425 PolarHBondContact O-N 2.88Å; A421-I464 HydrophobicContact CB-CB 4.48Å; A421-I464 HydrophobicContact CB-CG2 3.88Å |
| 422 | W | 98.1 | Very high | 96.8 | Very high | 22 Ų | 22 | 22.4 Ų | 22.4 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 173 | -176.2 | -103.5 | 0 | 0 | 0 | 112.4 | E76 F418 K425 S426 E439 I464 D465 P466 | E76-W422 HydrophobicContact CG-CZ3 4.05Å; F418-W422 WeakPolarHBondContact O-CB 3.24Å; F418-W422 PolarHBondContact O-N 3.4Å; W422-K425 HydrophobicContact CE3-CD 4.24Å; W422-K425 HydrophobicContact CZ3-CD 4.26Å; W422-K425 WeakPolarHBondContact O-CB 3.36Å; W422-K425 PolarHBondContact O-N 3.37Å; W422-S426 PolarHBondContact O-N 2.77Å; W422-S426 PolarHBondContact O-OG 2.9Å; W422-E439 PolarHBondContact NE1-OE1 2.96Å; W422-E439 PolarHBondContact NE1-OE2 2.87Å; W422-I464 HydrophobicContact CE3-CD1 4.44Å; W422-I464 HydrophobicContact CE3-CG1 4.17Å; W422-D465 HydrophobicContact CE3-CB 4.17Å; W422-D465 HydrophobicContact CH2-CB 4.02Å; W422-D465 WeakPolarHBondContact CH2-OD2 3.48Å; W422-D465 HydrophobicContact CZ3-CB 3.66Å; W422-P466 HydrophobicContact CG-CG 4.4Å |
| 423 | M | 98.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 21 Ų | 21 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.3 | -176.4 | -166.9 | 65.9 | 0 | 0 | 112.4 | A380 L391 A393 D419 T420 A421 K425 S426 W427 V436 R440 | A380-M423 HydrophobicContact CB-CE 4.11Å; A380-M423 HydrophobicContact CB-SD 3.5Å; A380-M423 VanDerWaalsContact CB-SD 3.5Å; L391-M423 HydrophobicContact CD1-CE 3.82Å; L391-M423 HydrophobicContact CD1-SD 4.02Å; L391-M423 HydrophobicContact CD2-CE 3.77Å; L391-M423 HydrophobicContact CD2-CG 4.47Å; L391-M423 HydrophobicContact CG-CE 3.85Å; A393-M423 HydrophobicContact CB-CE 3.71Å; D419-M423 WeakPolarHBondContact O-CB 3.42Å; D419-M423 PolarHBondContact O-N 3.03Å; T420-M423 HydrophobicContact CG2-CE 4.18Å; T420-M423 PolarHBondContact O-N 3.32Å; A421-M423 VanDerWaalsContact C-N 3.34Å; A421-M423 PolarHBondContact O-N 3.48Å; M423-K425 VanDerWaalsContact C-N 3.3Å; M423-K425 PolarHBondContact O-N 3.13Å; M423-S426 PolarHBondContact O-N 3.21Å; M423-W427 WeakPolarHBondContact O-CB 3.37Å; M423-W427 PolarHBondContact O-N 2.95Å; M423-V436 HydrophobicContact CG-CG1 3.36Å; M423-V436 HydrophobicContact SD-CG1 4.42Å; M423-R440 HydrophobicContact CG-CB 4.08Å; M423-R440 HydrophobicContact CG-CG 4.34Å; M423-R440 HydrophobicContact SD-CB 3.7Å; M423-R440 HydrophobicContact SD-CG 3.49Å; M423-R440 WeakPolarHBondContact SD-CG 3.48Å |
| 424 | V | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.7 | -33.5 | 176 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | T86 L104 V217 L391 T420 A421 W427 A428 | T86-V424 HydrophobicContact CG2-CG1 4.43Å; L104-V424 HydrophobicContact CD2-CB 3.85Å; L104-V424 HydrophobicContact CD2-CG1 3.9Å; L104-V424 HydrophobicContact CD2-CG2 4.06Å; V217-V424 HydrophobicContact CG1-CG2 3.78Å; V217-V424 HydrophobicContact CG2-CG1 4.27Å; V217-V424 HydrophobicContact CG2-CG2 4.41Å; L391-V424 HydrophobicContact CD2-CG2 4.1Å; T420-V424 WeakPolarHBondContact O-CG2 3.35Å; T420-V424 PolarHBondContact O-N 3.09Å; A421-V424 PolarHBondContact O-N 3.06Å; V424-W427 WeakPolarHBondContact O-CB 3.34Å; V424-W427 PolarHBondContact O-N 3.34Å; V424-A428 WeakPolarHBondContact O-CB 3.44Å; V424-A428 PolarHBondContact O-N 2.91Å |
| 425 | K | 96.9 | Very high | 96.7 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 6% | 0.061 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.4 | -47.9 | 169.1 | 177.3 | -177.3 | 168.5 | -70.2 | 0 | 112.1 | E76 M107 A421 W422 M423 W427 A428 E429 I464 | E76-K425 WeakPolarHBondContact O-CD 3.49Å; E76-K425 VanDerWaalsContact O-CE 3.23Å; E76-K425 WeakPolarHBondContact O-CE 3.43Å; M107-K425 HydrophobicContact SD-CB 3.87Å; A421-K425 PolarHBondContact O-N 2.88Å; W422-K425 HydrophobicContact CE3-CD 4.24Å; W422-K425 HydrophobicContact CZ3-CD 4.26Å; W422-K425 WeakPolarHBondContact O-CB 3.36Å; W422-K425 PolarHBondContact O-N 3.37Å; M423-K425 VanDerWaalsContact C-N 3.3Å; M423-K425 PolarHBondContact O-N 3.13Å; K425-W427 PolarHBondContact O-N 3.41Å; K425-A428 PolarHBondContact O-N 2.96Å; K425-E429 WeakPolarHBondContact CE-OE1 3.32Å; K425-E429 VanDerWaalsContact NZ-CD 3.28Å; K425-E429 IonicContact NZ-OE1 3.18Å; K425-E429 PolarHBondContact NZ-OE1 2.83Å; K425-E429 IonicContact NZ-OE2 2.81Å; K425-E429 PolarHBondContact NZ-OE2 3.42Å; K425-E429 VanDerWaalsContact NZ-OE2 3.1Å; K425-E429 WeakPolarHBondContact O-CB 3.49Å; K425-E429 WeakPolarHBondContact O-CG 3.45Å; K425-E429 PolarHBondContact O-N 3.11Å; K425-I464 HydrophobicContact CD-CD1 4.08Å |
| 426 | S | 96.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.1 | -33 | 176.1 | -72.5 | 0 | 0 | 0 | 0 | 112.1 | W422 M423 R431 E439 | W422-S426 PolarHBondContact O-N 2.77Å; W422-S426 PolarHBondContact O-OG 2.9Å; M423-S426 PolarHBondContact O-N 3.21Å; S426-R431 WeakPolarHBondContact O-CB 3.31Å; S426-R431 WeakPolarHBondContact O-CG 3.35Å; S426-R431 PolarHBondContact O-N 3.07Å; S426-R431 PolarHBondContact OG-NH1 3.34Å; S426-R431 PolarHBondContact OG-NH2 3.06Å; S426-E439 PolarHBondContact OG-OE2 3.14Å |
| 427 | W | 95.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 27.3 Ų | 27.3 | 14% | 0.136 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -68 | -52.2 | 173 | -178.7 | -96.4 | 0 | 0 | 0 | 112.4 | V382 Q389 L391 M423 V424 K425 E429 G430 V433 | V382-W427 HydrophobicContact CG1-CH2 3.88Å; V382-W427 HydrophobicContact CG1-CZ3 4.24Å; V382-W427 HydrophobicContact CG2-CH2 4.21Å; V382-W427 HydrophobicContact CG2-CZ3 3.84Å; Q389-W427 HydrophobicContact CB-CH2 3.92Å; Q389-W427 HydrophobicContact CB-CZ2 3.89Å; Q389-W427 VanDerWaalsContact OE1-CH2 3.31Å; L391-W427 HydrophobicContact CB-CD2 4.22Å; L391-W427 HydrophobicContact CB-CE3 4.48Å; L391-W427 HydrophobicContact CB-CZ2 4.37Å; L391-W427 HydrophobicContact CD1-CE3 4.41Å; L391-W427 HydrophobicContact CD2-CB 3.82Å; L391-W427 HydrophobicContact CD2-CD2 3.89Å; L391-W427 HydrophobicContact CD2-CE3 4.2Å; L391-W427 HydrophobicContact CD2-CG 3.73Å; M423-W427 WeakPolarHBondContact O-CB 3.37Å; M423-W427 PolarHBondContact O-N 2.95Å; V424-W427 WeakPolarHBondContact O-CB 3.34Å; V424-W427 PolarHBondContact O-N 3.34Å; K425-W427 PolarHBondContact O-N 3.41Å; W427-E429 PolarHBondContact O-N 3.48Å; W427-G430 PolarHBondContact O-N 3.28Å; W427-V433 HydrophobicContact CH2-CG2 4.26Å; W427-V433 HydrophobicContact CZ3-CG2 3.99Å |
| 428 | A | 95.4 | Very high | 96.6 | Very high | 40 Ų | 40 | 27.5 Ų | 27.5 | 33% | 0.331 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65.3 | -20.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.5 | A82 C83 V424 K425 G430 | A82-A428 WeakPolarHBondContact O-CB 3.47Å; C83-A428 HydrophobicContact CB-CB 4.22Å; V424-A428 WeakPolarHBondContact O-CB 3.44Å; V424-A428 PolarHBondContact O-N 2.91Å; K425-A428 PolarHBondContact O-N 2.96Å; A428-G430 PolarHBondContact O-N 3.42Å |
| 429 | E | 94.2 | Very high | 96.6 | Very high | 66 Ų | 66 | 28.7 Ų | 28.7 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 0.8 | 168.8 | -75.3 | 178.7 | 163.3 | 0 | 0 | 113.8 | K78 K425 W427 R431 | K78-E429 WeakPolarHBondContact CE-OE1 3.02Å; K78-E429 IonicContact NZ-OE1 2.84Å; K78-E429 PolarHBondContact NZ-OE1 3.1Å; K425-E429 WeakPolarHBondContact CE-OE1 3.32Å; K425-E429 VanDerWaalsContact NZ-CD 3.28Å; K425-E429 IonicContact NZ-OE1 3.18Å; K425-E429 PolarHBondContact NZ-OE1 2.83Å; K425-E429 IonicContact NZ-OE2 2.81Å; K425-E429 PolarHBondContact NZ-OE2 3.42Å; K425-E429 VanDerWaalsContact NZ-OE2 3.1Å; K425-E429 WeakPolarHBondContact O-CB 3.49Å; K425-E429 WeakPolarHBondContact O-CG 3.45Å; K425-E429 PolarHBondContact O-N 3.11Å; W427-E429 PolarHBondContact O-N 3.48Å; E429-R431 IonicContact OE2-CZ 3.43Å; E429-R431 IonicContact OE2-NE 2.67Å; E429-R431 IonicContact OE2-NH2 3.86Å; E429-R431 PolarHBondContact OE2-NH2 2.94Å |
| 430 | G | 91.8 | Very high | 96.6 | Very high | 67 Ų | 67 | 28.8 Ų | 28.8 | 69% | 0.691 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75 | 20.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115 | W427 A428 | W427-G430 PolarHBondContact O-N 3.28Å; A428-G430 PolarHBondContact O-N 3.42Å |
| 431 | R | 94.9 | Very high | 96.5 | Very high | 89 Ų | 89 | 29.5 Ų | 29.5 | 34% | 0.336 | 17% | 0.165 | S | C | . | . | trans | -70.7 | 155.7 | 176.2 | -57.5 | -172.5 | -158.9 | 169.2 | 11.1 | 111.1 | S426 E429 V436 E439 | S426-R431 WeakPolarHBondContact O-CB 3.31Å; S426-R431 WeakPolarHBondContact O-CG 3.35Å; S426-R431 PolarHBondContact O-N 3.07Å; S426-R431 PolarHBondContact OG-NH1 3.34Å; S426-R431 PolarHBondContact OG-NH2 3.06Å; E429-R431 IonicContact OE2-CZ 3.43Å; E429-R431 IonicContact OE2-NE 2.67Å; E429-R431 IonicContact OE2-NH2 3.86Å; E429-R431 PolarHBondContact OE2-NH2 2.94Å; R431-V436 HydrophobicContact CB-CG2 3.88Å; R431-E439 IonicContact NH1-OE1 2.75Å; R431-E439 IonicContact NH1-OE2 2.84Å; R431-E439 PolarHBondContact NH1-OE2 3.26Å | ||
| 432 | T | 94.9 | Very high | 96.5 | Very high | 82 Ų | 82 | 29.6 Ų | 29.6 | 50% | 0.503 | 17% | 0.165 | S | C | . | . | trans | -68.1 | 143.6 | -174.6 | 74.9 | 0 | 0 | 0 | 0 | 112.1 | L434 E435 V436 | T432-L434 PolarHBondContact O-N 3.02Å; T432-L434 VanDerWaalsContact O-N 3.09Å; T432-E435 WeakPolarHBondContact CB-OE2 3.35Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.16Å; T432-E435 PolarHBondContact N-OE2 3.34Å; T432-E435 PolarHBondContact O-N 3.14Å; T432-E435 VanDerWaalsContact OG1-CG 3.26Å; T432-E435 WeakPolarHBondContact OG1-CG 3.39Å; T432-E435 PolarHBondContact OG1-OE2 3.44Å; T432-V436 PolarHBondContact O-N 2.97Å | ||
| 433 | V | 95.7 | Very high | 96.4 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -43.8 | -46.7 | -179.4 | 177.4 | 0 | 0 | 0 | 0 | 112.8 | V382 W427 L437 Y487 | V382-V433 HydrophobicContact CB-CG1 3.77Å; V382-V433 HydrophobicContact CG1-CG1 3.87Å; V382-V433 HydrophobicContact CG2-CG1 3.9Å; W427-V433 HydrophobicContact CH2-CG2 4.26Å; W427-V433 HydrophobicContact CZ3-CG2 3.99Å; V433-L437 HydrophobicContact CG1-CD1 4Å; V433-L437 WeakPolarHBondContact O-CB 3.5Å; V433-L437 WeakPolarHBondContact O-CG 3.45Å; V433-L437 PolarHBondContact O-N 3.29Å; V433-L437 VanDerWaalsContact O-N 3.09Å; V433-Y487 HydrophobicContact CB-CD1 4.41Å; V433-Y487 HydrophobicContact CB-CE1 4.33Å; V433-Y487 HydrophobicContact CG1-CD1 3.9Å; V433-Y487 HydrophobicContact CG1-CD2 3.83Å; V433-Y487 HydrophobicContact CG1-CE1 4.2Å; V433-Y487 HydrophobicContact CG1-CE2 4.17Å; V433-Y487 HydrophobicContact CG1-CG 3.72Å |
| 434 | L | 96.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 29.2 Ų | 29.2 | 19% | 0.188 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -76.6 | -22.5 | -175.9 | -60.2 | 178.6 | 0 | 0 | 0 | 113.7 | T432 A438 P480 V483 R484 Y487 | T432-L434 PolarHBondContact O-N 3.02Å; T432-L434 VanDerWaalsContact O-N 3.09Å; L434-A438 WeakPolarHBondContact O-CB 3.49Å; L434-A438 PolarHBondContact O-N 2.91Å; L434-A438 VanDerWaalsContact O-N 3.09Å; L434-P480 HydrophobicContact CB-CB 3.83Å; L434-V483 HydrophobicContact CB-CG2 4.46Å; L434-V483 HydrophobicContact CD2-CG2 4.36Å; L434-V483 WeakPolarHBondContact O-CG2 3.45Å; L434-R484 HydrophobicContact CD1-CG 3.86Å; L434-R484 HydrophobicContact CD2-CG 4.14Å; L434-Y487 HydrophobicContact CD2-CD1 4Å; L434-Y487 HydrophobicContact CD2-CG 4.5Å; L434-Y487 HydrophobicContact CG-CD1 4.41Å |
| 435 | E | 96.4 | Very high | 96.3 | Very high | 98 Ų | 98 | 35.6 Ų | 35.6 | 46% | 0.458 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -78.3 | -43.7 | 173 | -70.2 | 168.2 | 136.2 | 0 | 0 | 110.9 | T432 L437 A438 E439 P480 | T432-E435 WeakPolarHBondContact CB-OE2 3.35Å; T432-E435 WeakPolarHBondContact CG2-OE2 3.16Å; T432-E435 PolarHBondContact N-OE2 3.34Å; T432-E435 PolarHBondContact O-N 3.14Å; T432-E435 VanDerWaalsContact OG1-CG 3.26Å; T432-E435 WeakPolarHBondContact OG1-CG 3.39Å; T432-E435 PolarHBondContact OG1-OE2 3.44Å; E435-L437 VanDerWaalsContact C-N 3.33Å; E435-L437 PolarHBondContact O-N 3.33Å; E435-A438 PolarHBondContact O-N 3.33Å; E435-E439 WeakPolarHBondContact O-CB 3.21Å; E435-E439 PolarHBondContact O-N 3.04Å; E435-P480 HydrophobicContact CG-CG 4.08Å |
| 436 | V | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 175.3 | 178.3 | 0 | 0 | 0 | 0 | 110.7 | M423 R431 T432 R440 | M423-V436 HydrophobicContact CG-CG1 3.36Å; M423-V436 HydrophobicContact SD-CG1 4.42Å; R431-V436 HydrophobicContact CB-CG2 3.88Å; T432-V436 PolarHBondContact O-N 2.97Å; V436-R440 WeakPolarHBondContact O-CB 3.48Å; V436-R440 PolarHBondContact O-N 3.03Å |
| 437 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 174.4 | -70.7 | 169.3 | 0 | 0 | 0 | 112.3 | A380 V382 V433 E435 R440 E441 V483 L486 | A380-L437 HydrophobicContact CB-CD2 3.87Å; V382-L437 HydrophobicContact CB-CD1 4.4Å; V382-L437 HydrophobicContact CG2-CD1 4.17Å; V382-L437 HydrophobicContact CG2-CD2 4.33Å; V382-L437 HydrophobicContact CG2-CG 4.33Å; V433-L437 HydrophobicContact CG1-CD1 4Å; V433-L437 WeakPolarHBondContact O-CB 3.5Å; V433-L437 WeakPolarHBondContact O-CG 3.45Å; V433-L437 PolarHBondContact O-N 3.29Å; V433-L437 VanDerWaalsContact O-N 3.09Å; E435-L437 VanDerWaalsContact C-N 3.33Å; E435-L437 PolarHBondContact O-N 3.33Å; L437-R440 PolarHBondContact O-N 3.29Å; L437-E441 WeakPolarHBondContact O-CB 3.46Å; L437-E441 WeakPolarHBondContact O-CG 3.34Å; L437-E441 PolarHBondContact O-N 2.89Å; L437-V483 HydrophobicContact CB-CB 4.04Å; L437-V483 HydrophobicContact CB-CG1 4.48Å; L437-V483 HydrophobicContact CB-CG2 3.88Å; L437-L486 HydrophobicContact CD1-CB 4.14Å |
| 438 | A | 97.6 | Very high | 96 | Very high | 5 Ų | 5 | 38.3 Ų | 38.3 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L434 E435 S442 V478 P480 V483 | L434-A438 WeakPolarHBondContact O-CB 3.49Å; L434-A438 PolarHBondContact O-N 2.91Å; L434-A438 VanDerWaalsContact O-N 3.09Å; E435-A438 PolarHBondContact O-N 3.33Å; A438-S442 VanDerWaalsContact O-CB 3.26Å; A438-S442 WeakPolarHBondContact O-CB 3.2Å; A438-S442 PolarHBondContact O-N 3.35Å; A438-S442 PolarHBondContact O-OG 3.41Å; A438-V478 HydrophobicContact CB-CB 4.29Å; A438-V478 HydrophobicContact CB-CG1 4.06Å; A438-V478 WeakPolarHBondContact O-CB 3.39Å; A438-P480 HydrophobicContact CB-CG 4.26Å; A438-V483 HydrophobicContact CB-CG2 4.1Å |
| 439 | E | 97.8 | Very high | 95.8 | Very high | 30 Ų | 30 | 42.1 Ų | 42.1 | 14% | 0.14 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -51.2 | 172.3 | -178.6 | 170.6 | -137.3 | 0 | 0 | 110.3 | W422 S426 R431 E435 E441 S442 I443 | W422-E439 PolarHBondContact NE1-OE1 2.96Å; W422-E439 PolarHBondContact NE1-OE2 2.87Å; S426-E439 PolarHBondContact OG-OE2 3.14Å; R431-E439 IonicContact NH1-OE1 2.75Å; R431-E439 IonicContact NH1-OE2 2.84Å; R431-E439 PolarHBondContact NH1-OE2 3.26Å; E435-E439 WeakPolarHBondContact O-CB 3.21Å; E435-E439 PolarHBondContact O-N 3.04Å; E439-E441 PolarHBondContact O-N 3.04Å; E439-S442 WeakPolarHBondContact O-CB 3.33Å; E439-S442 PolarHBondContact O-N 2.86Å; E439-I443 HydrophobicContact CG-CD1 4.04Å; E439-I443 WeakPolarHBondContact O-CD1 3.13Å; E439-I443 VanDerWaalsContact O-CG1 3.32Å; E439-I443 WeakPolarHBondContact O-CG1 3.31Å; E439-I443 PolarHBondContact O-N 2.74Å; E439-I443 VanDerWaalsContact O-N 3.11Å |
| 440 | R | 97.9 | Very high | 95.8 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | -178.7 | -176.3 | 67.7 | -176.5 | 86.4 | -5.6 | 113.4 | A379 A380 T420 M423 V436 L437 I443 Y444 | A379-R440 HydrophobicContact CB-CG 4.27Å; A380-R440 HydrophobicContact CB-CG 3.95Å; T420-R440 PolarHBondContact OG1-NH2 3.45Å; M423-R440 HydrophobicContact CG-CB 4.08Å; M423-R440 HydrophobicContact CG-CG 4.34Å; M423-R440 HydrophobicContact SD-CB 3.7Å; M423-R440 HydrophobicContact SD-CG 3.49Å; M423-R440 WeakPolarHBondContact SD-CG 3.48Å; V436-R440 WeakPolarHBondContact O-CB 3.48Å; V436-R440 PolarHBondContact O-N 3.03Å; L437-R440 PolarHBondContact O-N 3.29Å; R440-I443 PolarHBondContact O-N 3.12Å; R440-Y444 WeakPolarHBondContact O-CB 3.46Å; R440-Y444 PolarHBondContact O-N 3.3Å |
| 441 | E | 97.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 37.1 Ų | 37.1 | 7% | 0.07 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.9 | -29.3 | 179.3 | -65.9 | -50.9 | 131.5 | 0 | 0 | 112.3 | N378 A379 A380 L437 E439 I443 Y444 R445 V478 V483 L486 | N378-E441 WeakPolarHBondContact CA-OE2 3.42Å; A379-E441 WeakPolarHBondContact CA-OE1 3.29Å; A379-E441 PolarHBondContact N-OE1 2.83Å; A379-E441 PolarHBondContact N-OE2 2.86Å; A380-E441 PolarHBondContact N-OE1 2.9Å; L437-E441 WeakPolarHBondContact O-CB 3.46Å; L437-E441 WeakPolarHBondContact O-CG 3.34Å; L437-E441 PolarHBondContact O-N 2.89Å; E439-E441 PolarHBondContact O-N 3.04Å; E441-I443 VanDerWaalsContact C-N 3.32Å; E441-Y444 PolarHBondContact O-N 3.28Å; E441-Y444 WeakPolarHBondContact OE2-CD1 3.45Å; E441-R445 WeakPolarHBondContact O-CG 3.48Å; E441-R445 PolarHBondContact O-N 3.43Å; E441-V478 HydrophobicContact CB-CG1 4.48Å; E441-V478 HydrophobicContact CB-CG2 3.86Å; E441-V483 HydrophobicContact CB-CG1 4.35Å; E441-V483 HydrophobicContact CG-CG1 4.06Å; E441-L486 HydrophobicContact CG-CD1 3.96Å |
| 442 | S | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.007 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.9 | -41.9 | 171.6 | -66.4 | 0 | 0 | 0 | 0 | 111.4 | A438 E439 S475 C477 V478 | A438-S442 VanDerWaalsContact O-CB 3.26Å; A438-S442 WeakPolarHBondContact O-CB 3.2Å; A438-S442 PolarHBondContact O-N 3.35Å; A438-S442 PolarHBondContact O-OG 3.41Å; E439-S442 WeakPolarHBondContact O-CB 3.33Å; E439-S442 PolarHBondContact O-N 2.86Å; S442-S475 WeakPolarHBondContact CB-O 3.36Å; S442-S475 PolarHBondContact OG-O 2.97Å; S442-S475 VanDerWaalsContact OG-O 3.11Å; S442-C477 PolarHBondContact OG-N 3.44Å; S442-V478 WeakPolarHBondContact OG-CB 3.25Å; S442-V478 WeakPolarHBondContact OG-CG2 3.35Å; S442-V478 PolarHBondContact OG-N 3.01Å |
| 443 | I | 97.5 | Very high | 95.5 | Very high | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -72.3 | -41.8 | 177.5 | -57.7 | 156.7 | 0 | 0 | 0 | 110.7 | D419 E439 R440 E441 R445 L446 P466 Y470 L473 | D419-I443 HydrophobicContact CB-CG2 4.12Å; D419-I443 WeakPolarHBondContact OD2-CG2 3.29Å; E439-I443 HydrophobicContact CG-CD1 4.04Å; E439-I443 WeakPolarHBondContact O-CD1 3.13Å; E439-I443 VanDerWaalsContact O-CG1 3.32Å; E439-I443 WeakPolarHBondContact O-CG1 3.31Å; E439-I443 PolarHBondContact O-N 2.74Å; E439-I443 VanDerWaalsContact O-N 3.11Å; R440-I443 PolarHBondContact O-N 3.12Å; E441-I443 VanDerWaalsContact C-N 3.32Å; I443-R445 VanDerWaalsContact C-N 3.26Å; I443-R445 PolarHBondContact O-N 3.16Å; I443-L446 WeakPolarHBondContact O-CB 3.49Å; I443-L446 PolarHBondContact O-N 3.29Å; I443-P466 HydrophobicContact CD1-CB 3.99Å; I443-P466 HydrophobicContact CD1-CG 3.77Å; I443-P466 HydrophobicContact CG1-CB 4.24Å; I443-P466 HydrophobicContact CG1-CG 4.35Å; I443-P466 HydrophobicContact CG2-CB 4.42Å; I443-Y470 HydrophobicContact CG2-CD2 4.08Å; I443-Y470 HydrophobicContact CG2-CE2 3.41Å; I443-Y470 VanDerWaalsContact CG2-CE2 3.41Å; I443-L473 HydrophobicContact CG1-CD1 4.23Å |
| 444 | Y | 97.2 | Very high | 95.3 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 7% | 0.067 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.7 | -38.4 | -178.2 | 177.2 | -138.9 | 0 | 0 | 0 | 113.1 | S376 A379 L399 R440 E441 L446 L447 P448 | S376-Y444 PolarHBondContact O-OH 2.87Å; A379-Y444 HydrophobicContact CB-CD1 3.85Å; A379-Y444 HydrophobicContact CB-CD2 4.09Å; A379-Y444 HydrophobicContact CB-CE1 4.44Å; A379-Y444 HydrophobicContact CB-CG 3.66Å; L399-Y444 HydrophobicContact CD1-CD2 4.12Å; L399-Y444 HydrophobicContact CD1-CE1 4.33Å; L399-Y444 HydrophobicContact CD1-CE2 3.6Å; L399-Y444 HydrophobicContact CD2-CD2 4.11Å; L399-Y444 HydrophobicContact CD2-CE2 3.96Å; L399-Y444 HydrophobicContact CG-CD2 4.32Å; L399-Y444 HydrophobicContact CG-CE2 3.7Å; L399-Y444 PolarHBondContact O-OH 2.95Å; R440-Y444 WeakPolarHBondContact O-CB 3.46Å; R440-Y444 PolarHBondContact O-N 3.3Å; E441-Y444 PolarHBondContact O-N 3.28Å; E441-Y444 WeakPolarHBondContact OE2-CD1 3.45Å; Y444-L446 PolarHBondContact O-N 2.86Å; Y444-L446 VanDerWaalsContact O-N 3.08Å; Y444-L447 HydrophobicContact CD2-CB 4.22Å; Y444-L447 HydrophobicContact CD2-CD2 4.24Å; Y444-L447 HydrophobicContact CE2-CD2 4.34Å; Y444-L447 VanDerWaalsContact O-CB 3.31Å; Y444-L447 WeakPolarHBondContact O-CB 3.26Å; Y444-L447 PolarHBondContact O-N 3.27Å; Y444-P448 WeakPolarHBondContact O-CD 3.41Å |
| 445 | R | 95.1 | Very high | 95.3 | Very high | 134 Ų | 134 | 35.9 Ų | 35.9 | 51% | 0.506 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -26 | 177 | -72.8 | 168.8 | 175.1 | 177.3 | -0.6 | 114.2 | E441 I443 C477 | E441-R445 WeakPolarHBondContact O-CG 3.48Å; E441-R445 PolarHBondContact O-N 3.43Å; I443-R445 VanDerWaalsContact C-N 3.26Å; I443-R445 PolarHBondContact O-N 3.16Å; R445-C477 PolarHBondContact NH1-O 3.22Å |
| 446 | L | 95.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 32.3 Ų | 32.3 | 22% | 0.22 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -25.4 | 177.1 | -54.5 | -179.9 | 0 | 0 | 0 | 112.4 | I443 Y444 Q449 T450 Y470 L473 | I443-L446 WeakPolarHBondContact O-CB 3.49Å; I443-L446 PolarHBondContact O-N 3.29Å; Y444-L446 PolarHBondContact O-N 2.86Å; Y444-L446 VanDerWaalsContact O-N 3.08Å; L446-Q449 WeakPolarHBondContact O-CG 3.28Å; L446-Q449 PolarHBondContact O-N 3.1Å; L446-T450 WeakPolarHBondContact O-CG2 3.32Å; L446-T450 PolarHBondContact O-N 3.02Å; L446-Y470 HydrophobicContact CB-CD1 4.3Å; L446-Y470 HydrophobicContact CB-CE1 4.29Å; L446-Y470 HydrophobicContact CD1-CD1 4.13Å; L446-Y470 HydrophobicContact CD1-CD2 4.45Å; L446-Y470 HydrophobicContact CD1-CG 3.95Å; L446-L473 HydrophobicContact CD1-CD1 3.67Å |
| 447 | L | 94.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.01 | 19% | 0.187 | C | C | . | . | G | 310 helix | trans | -60.5 | -44.4 | -169.5 | -168.8 | 67.5 | 0 | 0 | 0 | 114.2 | L399 L400 R412 L415 A416 Y444 Q449 T450 | L399-L447 HydrophobicContact CD2-CD2 3.7Å; L400-L447 HydrophobicContact CD2-CD2 4.27Å; L400-L447 HydrophobicContact CD2-CG 4.18Å; R412-L447 HydrophobicContact CB-CD1 4.04Å; R412-L447 HydrophobicContact CB-CG 4.31Å; R412-L447 HydrophobicContact CG-CD1 4.24Å; R412-L447 PolarHBondContact NE-O 2.62Å; L415-L447 HydrophobicContact CB-CD1 3.79Å; L415-L447 HydrophobicContact CD1-CD1 4.25Å; A416-L447 HydrophobicContact CB-CD2 4Å; Y444-L447 HydrophobicContact CD2-CB 4.22Å; Y444-L447 HydrophobicContact CD2-CD2 4.24Å; Y444-L447 HydrophobicContact CE2-CD2 4.34Å; Y444-L447 VanDerWaalsContact O-CB 3.31Å; Y444-L447 WeakPolarHBondContact O-CB 3.26Å; Y444-L447 PolarHBondContact O-N 3.27Å; L447-Q449 VanDerWaalsContact C-N 3.25Å; L447-Q449 PolarHBondContact O-N 2.96Å; L447-T450 PolarHBondContact O-N 3.03Å; L447-T450 PolarHBondContact O-OG1 3.33Å |
| 448 | P | 93.3 | Very high | 94.7 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 40% | 0.403 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -68.1 | -20.8 | -178.7 | -20.4 | 34 | 0 | 0 | 0 | 114.7 | L400 R412 Y444 | L400-P448 HydrophobicContact CD2-CB 4.34Å; L400-P448 HydrophobicContact CD2-CG 4.24Å; R412-P448 PolarHBondContact NH1-O 2.95Å; R412-P448 PolarHBondContact NH2-O 2.9Å; Y444-P448 WeakPolarHBondContact O-CD 3.41Å |
| 449 | Q | 92.2 | Very high | 94.5 | Very high | 121 Ų | 121 | 44.8 Ų | 44.8 | 57% | 0.565 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -97.3 | -2.9 | 178.6 | 60.2 | 175.5 | 39.3 | 0 | 0 | 113.4 | L446 L447 N454 | L446-Q449 WeakPolarHBondContact O-CG 3.28Å; L446-Q449 PolarHBondContact O-N 3.1Å; L447-Q449 VanDerWaalsContact C-N 3.25Å; L447-Q449 PolarHBondContact O-N 2.96Å; Q449-N454 PolarHBondContact O-ND2 3.16Å |
| 450 | T | 94.8 | Very high | 94.1 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | trans | -61.3 | 137.8 | 178.4 | 52.9 | 0 | 0 | 0 | 0 | 112.8 | W129 R412 L415 L446 L447 N454 I455 Y470 | W129-T450 WeakPolarHBondContact CH2-O 3.46Å; R412-T450 WeakPolarHBondContact CG-OG1 3.28Å; R412-T450 PolarHBondContact NE-OG1 2.7Å; R412-T450 VanDerWaalsContact NE-OG1 3.07Å; R412-T450 PolarHBondContact NH2-O 3.18Å; L415-T450 HydrophobicContact CD1-CG2 3.8Å; L446-T450 WeakPolarHBondContact O-CG2 3.32Å; L446-T450 PolarHBondContact O-N 3.02Å; L447-T450 PolarHBondContact O-N 3.03Å; L447-T450 PolarHBondContact O-OG1 3.33Å; T450-N454 WeakPolarHBondContact CA-OD1 3.36Å; T450-I455 HydrophobicContact CG2-CG2 4.28Å; T450-Y470 HydrophobicContact CG2-CD1 4.48Å; T450-Y470 HydrophobicContact CG2-CE1 3.78Å | ||
| 451 | T | 92.9 | Very high | 93.8 | Very high | 24 Ų | 24 | 54.2 Ų | 54.2 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | trans | -141.4 | 166.9 | 169.9 | 81.5 | 0 | 0 | 0 | 0 | 109.2 | E453 N454 I455 | T451-E453 WeakPolarHBondContact CB-OE2 3.45Å; T451-E453 PolarHBondContact O-N 3.36Å; T451-E453 VanDerWaalsContact O-N 3.09Å; T451-E453 PolarHBondContact OG1-N 3.11Å; T451-E453 PolarHBondContact OG1-OE2 3.43Å; T451-N454 PolarHBondContact N-OD1 2.91Å; T451-N454 PolarHBondContact O-N 3.29Å; T451-N454 PolarHBondContact O-OD1 2.94Å; T451-I455 WeakPolarHBondContact O-CG1 3.42Å; T451-I455 PolarHBondContact O-N 2.89Å | ||
| 452 | P | 90.6 | Very high | 93.7 | Very high | 33 Ų | 33 | 54.7 Ų | 54.7 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.6 | 174.1 | -19.8 | 30.7 | 0 | 0 | 0 | 113.6 | W129 K457 | W129-P452 HydrophobicContact CD2-CG 3.69Å; W129-P452 HydrophobicContact CE3-CG 4.08Å; W129-P452 HydrophobicContact CG-CG 3.92Å; W129-P452 HydrophobicContact CZ2-CG 4.41Å; P452-K457 PolarHBondContact O-NZ 2.84Å |
| 453 | E | 90.2 | Very high | 93.6 | Very high | 82 Ų | 82 | 55.3 Ų | 55.3 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -42.3 | -177.5 | -62 | 65.1 | -124.5 | 0 | 0 | 112.6 | T451 K457 Q717 | T451-E453 WeakPolarHBondContact CB-OE2 3.45Å; T451-E453 PolarHBondContact O-N 3.36Å; T451-E453 VanDerWaalsContact O-N 3.09Å; T451-E453 PolarHBondContact OG1-N 3.11Å; T451-E453 PolarHBondContact OG1-OE2 3.43Å; E453-K457 WeakPolarHBondContact O-CE 3.31Å; E453-Q717 PolarHBondContact OE2-NE2 2.57Å |
| 454 | N | 92.9 | Very high | 93.6 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 41% | 0.406 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -8.5 | -170.3 | 68.6 | 19.5 | 0 | 0 | 0 | 115.3 | Q449 T450 T451 P471 | Q449-N454 PolarHBondContact O-ND2 3.16Å; T450-N454 WeakPolarHBondContact CA-OD1 3.36Å; T451-N454 PolarHBondContact N-OD1 2.91Å; T451-N454 PolarHBondContact O-N 3.29Å; T451-N454 PolarHBondContact O-OD1 2.94Å; N454-P471 VanDerWaalsContact O-CD 3.3Å; N454-P471 WeakPolarHBondContact O-CD 3.25Å; N454-P471 WeakPolarHBondContact O-CG 3.48Å |
| 455 | I | 94.7 | Very high | 93.5 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -80.3 | 157.8 | 166.8 | 65.6 | -178.4 | 0 | 0 | 0 | 111.5 | W129 Y131 T450 T451 | W129-I455 HydrophobicContact CE3-CD1 3.87Å; W129-I455 HydrophobicContact CZ3-CD1 4.12Å; Y131-I455 HydrophobicContact CD1-CD1 3.57Å; Y131-I455 HydrophobicContact CE1-CD1 4.11Å; Y131-I455 HydrophobicContact CG-CD1 4.4Å; T450-I455 HydrophobicContact CG2-CG2 4.28Å; T451-I455 WeakPolarHBondContact O-CG1 3.42Å; T451-I455 PolarHBondContact O-N 2.89Å |
| 456 | A | 94 | Very high | 93.6 | Very high | 23 Ų | 23 | 49.6 Ų | 49.6 | 19% | 0.19 | 26% | 0.255 | C | S | . | . | trans | -60.3 | 140.2 | 179 | 0 | 0 | 0 | 0 | 0 | 111.7 | F459 Y462 T468 R469 P471 | A456-F459 WeakPolarHBondContact O-CE1 3.25Å; A456-Y462 HydrophobicContact CB-CE1 4.04Å; A456-Y462 VanDerWaalsContact O-CE1 3.24Å; A456-Y462 WeakPolarHBondContact O-CE1 3.2Å; A456-Y462 PolarHBondContact O-OH 3.37Å; A456-T468 WeakPolarHBondContact CB-O 3.1Å; A456-R469 PolarHBondContact N-O 2.83Å; A456-P471 HydrophobicContact CB-CG 4.28Å | ||
| 457 | K | 92.9 | Very high | 93.6 | Very high | 117 Ų | 117 | 51.1 Ų | 51.1 | 51% | 0.509 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -87.4 | -16 | -173.9 | -57.7 | -61.4 | -172.6 | 163.8 | 0 | 114.6 | P452 E453 F459 | P452-K457 PolarHBondContact O-NZ 2.84Å; E453-K457 WeakPolarHBondContact O-CE 3.31Å; K457-F459 VanDerWaalsContact C-N 3.33Å; K457-F459 WeakPolarHBondContact O-CD1 3.5Å; K457-F459 PolarHBondContact O-N 3Å |
| 458 | N | 92.9 | Very high | 93.7 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 51% | 0.513 | 28% | 0.28 | S | S | . | . | trans | -82.5 | 72.8 | -174 | -62.4 | -1.6 | 0 | 0 | 0 | 110.9 | D460 Q461 | N458-D460 PolarHBondContact O-N 2.87Å; N458-D460 VanDerWaalsContact O-N 3.07Å; N458-Q461 HydrophobicContact CB-CB 4.25Å; N458-Q461 HydrophobicContact CB-CG 4.25Å; N458-Q461 VanDerWaalsContact CB-OE1 3.29Å; N458-Q461 PolarHBondContact ND2-OE1 3.26Å; N458-Q461 WeakPolarHBondContact O-CB 3.4Å; N458-Q461 PolarHBondContact O-N 2.73Å | ||
| 459 | F | 92.7 | Very high | 93.8 | Very high | 54 Ų | 54 | 49.9 Ų | 49.9 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16 | -172 | -48.3 | -44 | 0 | 0 | 0 | 114.8 | P130 H134 A456 K457 Q461 Y462 | P130-F459 HydrophobicContact CB-CD2 4.49Å; P130-F459 HydrophobicContact CB-CE2 3.66Å; P130-F459 HydrophobicContact CB-CZ 4.02Å; H134-F459 HydrophobicContact CB-CB 3.94Å; H134-F459 PolarHBondContact CE1-O 2.99Å; H134-F459 PolarHBondContact ND1-O 3.36Å; A456-F459 WeakPolarHBondContact O-CE1 3.25Å; K457-F459 VanDerWaalsContact C-N 3.33Å; K457-F459 WeakPolarHBondContact O-CD1 3.5Å; K457-F459 PolarHBondContact O-N 3Å; F459-Q461 VanDerWaalsContact C-N 3.33Å; F459-Y462 HydrophobicContact CD1-CD1 4.45Å; F459-Y462 AromaticContact CD1-CE1 3.88Å; F459-Y462 HydrophobicContact CD1-CE1 3.88Å; F459-Y462 HydrophobicContact CD1-CE2 4.48Å; F459-Y462 AromaticContact CD1-CZ 3.9Å |
| 460 | D | 90.3 | Very high | 94 | Very high | 108 Ų | 108 | 44.6 Ų | 44.6 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -22.6 | 169.5 | -82.9 | -71.1 | 0 | 0 | 0 | 114.1 | H134 N458 | H134-D460 IonicContact CE1-OD1 2.81Å; H134-D460 PolarHBondContact CE1-OD1 2.86Å; H134-D460 IonicContact NE2-OD1 3.41Å; N458-D460 PolarHBondContact O-N 2.87Å; N458-D460 VanDerWaalsContact O-N 3.07Å |
| 461 | Q | 90.9 | Very high | 93.9 | Very high | 123 Ų | 123 | 47.8 Ų | 47.8 | 58% | 0.575 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -94.9 | -3.7 | -179.1 | -65.3 | 176.1 | -24 | 0 | 0 | 112.8 | N458 F459 T463 T468 | N458-Q461 HydrophobicContact CB-CB 4.25Å; N458-Q461 HydrophobicContact CB-CG 4.25Å; N458-Q461 VanDerWaalsContact CB-OE1 3.29Å; N458-Q461 PolarHBondContact ND2-OE1 3.26Å; N458-Q461 WeakPolarHBondContact O-CB 3.4Å; N458-Q461 PolarHBondContact O-N 2.73Å; F459-Q461 VanDerWaalsContact C-N 3.33Å; Q461-T463 PolarHBondContact O-N 2.85Å; Q461-T468 VanDerWaalsContact O-CB 3.3Å; Q461-T468 WeakPolarHBondContact O-CB 3.37Å; Q461-T468 WeakPolarHBondContact O-CG2 3.4Å |
| 462 | Y | 95.4 | Very high | 93.6 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 9% | 0.094 | 29% | 0.292 | C | S | . | . | trans | -64.8 | 121.9 | -179.9 | -88.8 | 39.8 | 0 | 0 | 0 | 111.2 | Y131 A456 F459 R469 | Y131-Y462 HydrophobicContact CD1-CE2 4.32Å; Y131-Y462 AromaticContact CD2-CD2 3.67Å; Y131-Y462 HydrophobicContact CD2-CD2 3.67Å; Y131-Y462 AromaticContact CD2-CE2 3.47Å; Y131-Y462 HydrophobicContact CD2-CE2 3.47Å; Y131-Y462 VanDerWaalsContact CD2-CE2 3.47Å; Y131-Y462 HydrophobicContact CE2-CD2 4.39Å; Y131-Y462 HydrophobicContact CE2-CE2 4.21Å; Y131-Y462 HydrophobicContact CG-CD2 4.19Å; Y131-Y462 AromaticContact CG-CE2 3.57Å; Y131-Y462 HydrophobicContact CG-CE2 3.57Å; A456-Y462 HydrophobicContact CB-CE1 4.04Å; A456-Y462 VanDerWaalsContact O-CE1 3.24Å; A456-Y462 WeakPolarHBondContact O-CE1 3.2Å; A456-Y462 PolarHBondContact O-OH 3.37Å; F459-Y462 HydrophobicContact CD1-CD1 4.45Å; F459-Y462 AromaticContact CD1-CE1 3.88Å; F459-Y462 HydrophobicContact CD1-CE1 3.88Å; F459-Y462 HydrophobicContact CD1-CE2 4.48Å; F459-Y462 AromaticContact CD1-CZ 3.9Å; Y462-R469 HydrophobicContact CD1-CG 4.3Å; Y462-R469 HydrophobicContact CD2-CG 3.72Å; Y462-R469 HydrophobicContact CE1-CG 4.47Å; Y462-R469 HydrophobicContact CE2-CB 4.38Å; Y462-R469 HydrophobicContact CE2-CG 3.89Å; Y462-R469 HydrophobicContact CG-CG 3.94Å | ||
| 463 | T | 95.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 54.9 Ų | 54.9 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | trans | -128.6 | -174.7 | 170.1 | 81.9 | 0 | 0 | 0 | 0 | 110.3 | H74 Q461 D465 T468 R469 | H74-T463 WeakPolarHBondContact ND1-CG2 3.48Å; Q461-T463 PolarHBondContact O-N 2.85Å; T463-D465 PolarHBondContact O-N 3.03Å; T463-D465 WeakPolarHBondContact OG1-CB 3.4Å; T463-D465 PolarHBondContact OG1-N 2.63Å; T463-T468 PolarHBondContact N-OG1 3.15Å; T463-R469 WeakPolarHBondContact O-CD 3.4Å; T463-R469 PolarHBondContact O-NE 3.42Å | ||
| 464 | I | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -63.2 | -22.5 | 169.8 | 56.8 | 170.6 | 0 | 0 | 0 | 112.3 | E76 E103 M107 F418 A421 W422 K425 P466 R469 | E76-I464 HydrophobicContact CB-CD1 3.92Å; E76-I464 HydrophobicContact CB-CG1 3.67Å; E76-I464 HydrophobicContact CG-CG1 4.14Å; E103-I464 HydrophobicContact CB-CG2 4.47Å; E103-I464 HydrophobicContact CG-CG2 4.38Å; E103-I464 VanDerWaalsContact OE2-CG2 3.25Å; E103-I464 WeakPolarHBondContact OE2-CG2 3.44Å; M107-I464 HydrophobicContact CG-CD1 4.39Å; M107-I464 HydrophobicContact SD-CD1 3.46Å; M107-I464 WeakPolarHBondContact SD-CD1 3.34Å; F418-I464 HydrophobicContact CD1-CG2 4.2Å; A421-I464 HydrophobicContact CB-CB 4.48Å; A421-I464 HydrophobicContact CB-CG2 3.88Å; W422-I464 HydrophobicContact CE3-CD1 4.44Å; W422-I464 HydrophobicContact CE3-CG1 4.17Å; K425-I464 HydrophobicContact CD-CD1 4.08Å; I464-P466 WeakPolarHBondContact O-CD 3.4Å; I464-R469 PolarHBondContact O-NH2 2.94Å |
| 465 | D | 96.3 | Very high | 93.5 | Very high | 29 Ų | 29 | 54.2 Ų | 54.2 | 16% | 0.155 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -61.5 | 118.6 | 175.3 | -171.3 | -44.6 | 0 | 0 | 0 | 110.4 | E76 W422 T463 S467 T468 | E76-D465 HydrophobicContact CG-CB 4.19Å; W422-D465 HydrophobicContact CE3-CB 4.17Å; W422-D465 HydrophobicContact CH2-CB 4.02Å; W422-D465 WeakPolarHBondContact CH2-OD2 3.48Å; W422-D465 HydrophobicContact CZ3-CB 3.66Å; T463-D465 PolarHBondContact O-N 3.03Å; T463-D465 WeakPolarHBondContact OG1-CB 3.4Å; T463-D465 PolarHBondContact OG1-N 2.63Å; D465-S467 PolarHBondContact O-N 2.63Å; D465-S467 VanDerWaalsContact OD1-CB 3.27Å; D465-S467 WeakPolarHBondContact OD1-CB 3.16Å; D465-S467 PolarHBondContact OD1-N 3.48Å; D465-S467 PolarHBondContact OD1-OG 2.87Å; D465-T468 HydrophobicContact CB-CG2 4.19Å; D465-T468 PolarHBondContact O-N 2.81Å; D465-T468 PolarHBondContact O-OG1 3.13Å |
| 466 | P | 96.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 56.3 Ų | 56.3 | 2% | 0.019 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -66.3 | -22.1 | -174.8 | 29.2 | -37 | 0 | 0 | 0 | 113 | W422 I443 I464 T468 R469 Y470 L473 | W422-P466 HydrophobicContact CG-CG 4.4Å; I443-P466 HydrophobicContact CD1-CB 3.99Å; I443-P466 HydrophobicContact CD1-CG 3.77Å; I443-P466 HydrophobicContact CG1-CB 4.24Å; I443-P466 HydrophobicContact CG1-CG 4.35Å; I443-P466 HydrophobicContact CG2-CB 4.42Å; I464-P466 WeakPolarHBondContact O-CD 3.4Å; P466-T468 PolarHBondContact O-N 2.92Å; P466-R469 PolarHBondContact O-N 2.85Å; P466-R469 VanDerWaalsContact O-N 3.14Å; P466-Y470 HydrophobicContact CB-CD2 3.9Å; P466-Y470 HydrophobicContact CB-CE2 4.19Å; P466-Y470 WeakPolarHBondContact O-CD2 3.47Å; P466-Y470 PolarHBondContact O-N 2.89Å; P466-L473 HydrophobicContact CB-CD2 3.66Å; P466-L473 HydrophobicContact CG-CD2 3.68Å |
| 467 | S | 95.5 | Very high | 93.2 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 52% | 0.517 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -66.3 | -25.9 | 176.2 | 69.9 | 0 | 0 | 0 | 0 | 112.8 | D465 R469 | D465-S467 PolarHBondContact O-N 2.63Å; D465-S467 VanDerWaalsContact OD1-CB 3.27Å; D465-S467 WeakPolarHBondContact OD1-CB 3.16Å; D465-S467 PolarHBondContact OD1-N 3.48Å; D465-S467 PolarHBondContact OD1-OG 2.87Å; S467-R469 PolarHBondContact O-N 2.71Å |
| 468 | T | 95.9 | Very high | 93.3 | Very high | 38 Ų | 38 | 52.2 Ų | 52.2 | 23% | 0.233 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -73.7 | -14.5 | 175.5 | 68 | 0 | 0 | 0 | 0 | 113.4 | A456 Q461 T463 D465 P466 | A456-T468 WeakPolarHBondContact CB-O 3.1Å; Q461-T468 VanDerWaalsContact O-CB 3.3Å; Q461-T468 WeakPolarHBondContact O-CB 3.37Å; Q461-T468 WeakPolarHBondContact O-CG2 3.4Å; T463-T468 PolarHBondContact N-OG1 3.15Å; D465-T468 HydrophobicContact CB-CG2 4.19Å; D465-T468 PolarHBondContact O-N 2.81Å; D465-T468 PolarHBondContact O-OG1 3.13Å; P466-T468 PolarHBondContact O-N 2.92Å |
| 469 | R | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.2 | -38.9 | -169.8 | -63.3 | -178.8 | -77.3 | 109.5 | -4.6 | 112.9 | L415 F418 D419 A456 Y462 T463 I464 P466 S467 P471 | L415-R469 HydrophobicContact CD2-CB 4.45Å; F418-R469 VanDerWaalsContact CB-CZ 3.46Å; D419-R469 IonicContact OD1-CZ 2.66Å; D419-R469 IonicContact OD1-NH1 3.08Å; D419-R469 PolarHBondContact OD1-NH1 2.9Å; D419-R469 IonicContact OD1-NH2 2.65Å; D419-R469 PolarHBondContact OD1-NH2 3.16Å; D419-R469 IonicContact OD2-NH1 3.63Å; A456-R469 PolarHBondContact N-O 2.83Å; Y462-R469 HydrophobicContact CD1-CG 4.3Å; Y462-R469 HydrophobicContact CD2-CG 3.72Å; Y462-R469 HydrophobicContact CE1-CG 4.47Å; Y462-R469 HydrophobicContact CE2-CB 4.38Å; Y462-R469 HydrophobicContact CE2-CG 3.89Å; Y462-R469 HydrophobicContact CG-CG 3.94Å; T463-R469 WeakPolarHBondContact O-CD 3.4Å; T463-R469 PolarHBondContact O-NE 3.42Å; I464-R469 PolarHBondContact O-NH2 2.94Å; P466-R469 PolarHBondContact O-N 2.85Å; P466-R469 VanDerWaalsContact O-N 3.14Å; S467-R469 PolarHBondContact O-N 2.71Å; R469-P471 WeakPolarHBondContact O-CD 3.45Å |
| 470 | Y | 96.3 | Very high | 93.6 | Very high | 10 Ų | 10 | 53.7 Ų | 53.7 | 4% | 0.039 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -108.7 | 106.1 | -176.7 | -58.2 | -69.5 | 0 | 0 | 0 | 111.5 | L415 D419 I443 L446 T450 P466 L473 | L415-Y470 HydrophobicContact CD1-CE1 4.26Å; D419-Y470 WeakPolarHBondContact OD1-CE2 3.36Å; D419-Y470 PolarHBondContact OD2-OH 2.82Å; I443-Y470 HydrophobicContact CG2-CD2 4.08Å; I443-Y470 HydrophobicContact CG2-CE2 3.41Å; I443-Y470 VanDerWaalsContact CG2-CE2 3.41Å; L446-Y470 HydrophobicContact CB-CD1 4.3Å; L446-Y470 HydrophobicContact CB-CE1 4.29Å; L446-Y470 HydrophobicContact CD1-CD1 4.13Å; L446-Y470 HydrophobicContact CD1-CD2 4.45Å; L446-Y470 HydrophobicContact CD1-CG 3.95Å; T450-Y470 HydrophobicContact CG2-CD1 4.48Å; T450-Y470 HydrophobicContact CG2-CE1 3.78Å; P466-Y470 HydrophobicContact CB-CD2 3.9Å; P466-Y470 HydrophobicContact CB-CE2 4.19Å; P466-Y470 WeakPolarHBondContact O-CD2 3.47Å; P466-Y470 PolarHBondContact O-N 2.89Å; Y470-L473 WeakPolarHBondContact O-CB 3.42Å; Y470-L473 PolarHBondContact O-N 2.85Å |
| 471 | P | 92.1 | Very high | 93.8 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 45% | 0.448 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | 140.8 | 173.6 | -22.7 | 34.4 | 0 | 0 | 0 | 111.6 | N454 A456 R469 L473 | N454-P471 VanDerWaalsContact O-CD 3.3Å; N454-P471 WeakPolarHBondContact O-CD 3.25Å; N454-P471 WeakPolarHBondContact O-CG 3.48Å; A456-P471 HydrophobicContact CB-CG 4.28Å; R469-P471 WeakPolarHBondContact O-CD 3.45Å; P471-L473 PolarHBondContact O-N 2.99Å |
| 472 | N | 87.8 | Confident | 93.9 | Very high | 168 Ų | 168 | 52.3 Ų | 52.3 | 90% | 0.898 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57 | 31.5 | 179.6 | -51 | -49.7 | 0 | 0 | 0 | 114.5 | N474 | N472-N474 PolarHBondContact O-N 2.89Š|
| 473 | L | 92.1 | Very high | 94 | Very high | 38 Ų | 38 | 51.3 Ų | 51.3 | 20% | 0.199 | 28% | 0.284 | C | S | . | . | trans | -54.6 | 118.9 | 177.4 | 174.7 | 63.1 | 0 | 0 | 0 | 112.5 | I443 L446 P466 Y470 P471 | I443-L473 HydrophobicContact CG1-CD1 4.23Å; L446-L473 HydrophobicContact CD1-CD1 3.67Å; P466-L473 HydrophobicContact CB-CD2 3.66Å; P466-L473 HydrophobicContact CG-CD2 3.68Å; Y470-L473 WeakPolarHBondContact O-CB 3.42Å; Y470-L473 PolarHBondContact O-N 2.85Å; P471-L473 PolarHBondContact O-N 2.99Å | ||
| 474 | N | 92.2 | Very high | 93.9 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | trans | -99.9 | 86.1 | 163.7 | -175.3 | -2.4 | 0 | 0 | 0 | 110 | N472 S476 C477 | N472-N474 PolarHBondContact O-N 2.89Å; N474-S476 PolarHBondContact O-N 3.43Å; N474-S476 WeakPolarHBondContact OD1-CA 3.31Å; N474-S476 PolarHBondContact OD1-N 2.81Å; N474-S476 VanDerWaalsContact OD1-N 3.07Å; N474-S476 PolarHBondContact OD1-OG 2.77Å; N474-C477 HydrophobicContact CB-CB 4.26Å; N474-C477 PolarHBondContact O-N 2.93Å; N474-C477 PolarHBondContact OD1-N 2.68Å | ||
| 475 | S | 86.1 | Confident | 93.8 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 39% | 0.392 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -8.5 | 175 | 53.8 | 0 | 0 | 0 | 0 | 114.3 | S442 | S442-S475 WeakPolarHBondContact CB-O 3.36Å; S442-S475 PolarHBondContact OG-O 2.97Å; S442-S475 VanDerWaalsContact OG-O 3.11Å |
| 476 | S | 90.6 | Very high | 93.7 | Very high | 50 Ų | 50 | 64.3 Ų | 64.3 | 35% | 0.35 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 9.2 | -178.1 | 84.5 | 0 | 0 | 0 | 0 | 113.9 | N474 V478 R479 | N474-S476 PolarHBondContact O-N 3.43Å; N474-S476 WeakPolarHBondContact OD1-CA 3.31Å; N474-S476 PolarHBondContact OD1-N 2.81Å; N474-S476 VanDerWaalsContact OD1-N 3.07Å; N474-S476 PolarHBondContact OD1-OG 2.77Å; S476-V478 CarbonylContact C-O 3.55Å; S476-V478 CarbonylContact O-C 3.57Å; S476-V478 PolarHBondContact O-N 2.97Å; S476-V478 VanDerWaalsContact O-O 3.05Å; S476-R479 PolarHBondContact O-NH1 3.42Å; S476-R479 PolarHBondContact OG-NH1 2.72Å |
| 477 | C | 92.7 | Very high | 93.6 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -69.3 | -14.9 | -177.6 | 75.7 | 0 | 0 | 0 | 0 | 113.9 | S442 R445 N474 | S442-C477 PolarHBondContact OG-N 3.44Å; R445-C477 PolarHBondContact NH1-O 3.22Å; N474-C477 HydrophobicContact CB-CB 4.26Å; N474-C477 PolarHBondContact O-N 2.93Å; N474-C477 PolarHBondContact OD1-N 2.68Å |
| 478 | V | 95.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.03 | 34% | 0.338 | C | S | . | . | S | Bend | trans | -99.7 | 139.6 | 158.2 | -176.8 | 0 | 0 | 0 | 0 | 108.1 | A438 E441 S442 S476 Q482 V483 | A438-V478 HydrophobicContact CB-CB 4.29Å; A438-V478 HydrophobicContact CB-CG1 4.06Å; A438-V478 WeakPolarHBondContact O-CB 3.39Å; E441-V478 HydrophobicContact CB-CG1 4.48Å; E441-V478 HydrophobicContact CB-CG2 3.86Å; S442-V478 WeakPolarHBondContact OG-CB 3.25Å; S442-V478 WeakPolarHBondContact OG-CG2 3.35Å; S442-V478 PolarHBondContact OG-N 3.01Å; S476-V478 CarbonylContact C-O 3.55Å; S476-V478 CarbonylContact O-C 3.57Å; S476-V478 PolarHBondContact O-N 2.97Å; S476-V478 VanDerWaalsContact O-O 3.05Å; V478-Q482 HydrophobicContact CG1-CB 4.21Å; V478-V483 HydrophobicContact CG1-CG1 3.53Å |
| 479 | R | 95.3 | Very high | 92.9 | Very high | 129 Ų | 129 | 69.1 Ų | 69.1 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | trans | -101.6 | 146.5 | 171.4 | -61.2 | -53.9 | -159 | -153.3 | 12.4 | 110.8 | S476 H481 Q482 | S476-R479 PolarHBondContact O-NH1 3.42Å; S476-R479 PolarHBondContact OG-NH1 2.72Å; R479-H481 VanDerWaalsContact CB-CD2 3.48Å; R479-H481 WeakPolarHBondContact CB-CD2 3.46Å; R479-H481 PolarHBondContact O-N 3.26Å; R479-Q482 HydrophobicContact CB-CG 4.4Å; R479-Q482 WeakPolarHBondContact O-CB 3.38Å; R479-Q482 PolarHBondContact O-N 3.28Å | ||
| 480 | P | 95.5 | Very high | 91.6 | Very high | 51 Ų | 51 | 71.2 Ų | 71.2 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -34.3 | 179.3 | -33.4 | 38 | 0 | 0 | 0 | 115.3 | L434 E435 A438 Q482 V483 | L434-P480 HydrophobicContact CB-CB 3.83Å; E435-P480 HydrophobicContact CG-CG 4.08Å; A438-P480 HydrophobicContact CB-CG 4.26Å; P480-Q482 PolarHBondContact O-N 3.07Å; P480-V483 VanDerWaalsContact O-CG2 3.3Å; P480-V483 WeakPolarHBondContact O-CG2 3.28Å; P480-V483 PolarHBondContact O-N 2.79Å |
| 481 | H | 94.3 | Very high | 89.6 | Confident | 117 Ų | 117 | 78.1 Ų | 78.1 | 54% | 0.542 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -20 | 177.3 | 74.5 | 83.1 | 0 | 0 | 0 | 114.3 | R479 | R479-H481 VanDerWaalsContact CB-CD2 3.48Å; R479-H481 WeakPolarHBondContact CB-CD2 3.46Å; R479-H481 PolarHBondContact O-N 3.26Å |
| 482 | Q | 94.4 | Very high | 87.4 | Confident | 85 Ų | 85 | 77.7 Ų | 77.7 | 40% | 0.397 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -33.5 | 179.2 | -60.2 | 179.5 | -44.2 | 0 | 0 | 111.7 | V478 R479 P480 H485 | V478-Q482 HydrophobicContact CG1-CB 4.21Å; R479-Q482 HydrophobicContact CB-CG 4.4Å; R479-Q482 WeakPolarHBondContact O-CB 3.38Å; R479-Q482 PolarHBondContact O-N 3.28Å; P480-Q482 PolarHBondContact O-N 3.07Å; Q482-H485 PolarHBondContact O-CE1 3.29Å; Q482-H485 VanDerWaalsContact O-CE1 3.26Å; Q482-H485 PolarHBondContact O-ND1 2.75Å |
| 483 | V | 95.8 | Very high | 84.9 | Confident | 4 Ų | 4 | 76 Ų | 76 | 2% | 0.024 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -89.8 | 4 | -178.3 | -67 | 0 | 0 | 0 | 0 | 114.2 | L434 L437 A438 E441 V478 P480 H485 L486 | L434-V483 HydrophobicContact CB-CG2 4.46Å; L434-V483 HydrophobicContact CD2-CG2 4.36Å; L434-V483 WeakPolarHBondContact O-CG2 3.45Å; L437-V483 HydrophobicContact CB-CB 4.04Å; L437-V483 HydrophobicContact CB-CG1 4.48Å; L437-V483 HydrophobicContact CB-CG2 3.88Å; A438-V483 HydrophobicContact CB-CG2 4.1Å; E441-V483 HydrophobicContact CB-CG1 4.35Å; E441-V483 HydrophobicContact CG-CG1 4.06Å; V478-V483 HydrophobicContact CG1-CG1 3.53Å; P480-V483 VanDerWaalsContact O-CG2 3.3Å; P480-V483 WeakPolarHBondContact O-CG2 3.28Å; P480-V483 PolarHBondContact O-N 2.79Å; V483-H485 PolarHBondContact O-N 3.03Å; V483-L486 HydrophobicContact CB-CD1 4.17Å; V483-L486 HydrophobicContact CG1-CD1 4.03Å; V483-L486 WeakPolarHBondContact O-CA 3.02Å; V483-L486 WeakPolarHBondContact O-CB 3.32Å; V483-L486 PolarHBondContact O-N 3.03Å |
| 484 | R | 94.1 | Very high | 82 | Confident | 168 Ų | 168 | 79.4 Ų | 79.4 | 63% | 0.634 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -52.2 | -30.1 | 175.6 | -74.9 | 178.5 | 174.4 | -178.5 | -2.6 | 114 | L434 L486 Y487 | L434-R484 HydrophobicContact CD1-CG 3.86Å; L434-R484 HydrophobicContact CD2-CG 4.14Å; R484-L486 PolarHBondContact O-N 3.4Å; R484-Y487 PolarHBondContact O-N 3.25Å |
| 485 | H | 93.5 | Very high | 78.9 | Confident | 137 Ų | 137 | 81 Ų | 81 | 63% | 0.634 | 44% | 0.437 | S | S | * | . | G | 310 helix | trans | -75.5 | -5.7 | 177.3 | 73.2 | -84.7 | 0 | 0 | 0 | 114.4 | Q482 V483 | Q482-H485 PolarHBondContact O-CE1 3.29Å; Q482-H485 VanDerWaalsContact O-CE1 3.26Å; Q482-H485 PolarHBondContact O-ND1 2.75Å; V483-H485 PolarHBondContact O-N 3.03Å |
| 486 | L | 95 | Very high | 76.3 | Confident | 12 Ų | 12 | 83 Ų | 83 | 6% | 0.063 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -101.7 | 2.4 | 175.4 | -55.3 | 179.1 | 0 | 0 | 0 | 112.1 | N378 L381 V382 L437 E441 V483 R484 | N378-L486 HydrophobicContact CB-CD1 3.83Å; N378-L486 HydrophobicContact CB-CD2 3.82Å; N378-L486 HydrophobicContact CB-CG 4.5Å; L381-L486 CarbonylContact C-O 3.51Å; L381-L486 VanDerWaalsContact CA-O 3.29Å; L381-L486 WeakPolarHBondContact CA-O 3.47Å; L381-L486 HydrophobicContact CB-CB 4.23Å; L381-L486 VanDerWaalsContact CB-O 3.31Å; L381-L486 WeakPolarHBondContact CB-O 3.45Å; V382-L486 PolarHBondContact N-O 3.45Å; L437-L486 HydrophobicContact CD1-CB 4.14Å; E441-L486 HydrophobicContact CG-CD1 3.96Å; V483-L486 HydrophobicContact CB-CD1 4.17Å; V483-L486 HydrophobicContact CG1-CD1 4.03Å; V483-L486 WeakPolarHBondContact O-CA 3.02Å; V483-L486 WeakPolarHBondContact O-CB 3.32Å; V483-L486 PolarHBondContact O-N 3.03Å; R484-L486 PolarHBondContact O-N 3.4Å |
| 487 | Y | 95.2 | Very high | 73.8 | Confident | 68 Ų | 68 | 88.5 Ų | 88.5 | 27% | 0.267 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 112.9 | 172.9 | 179.9 | -161.6 | 0 | 0 | 0 | 107.6 | V382 E384 V433 L434 R484 T489 | V382-Y487 HydrophobicContact CB-CD2 4.33Å; V382-Y487 HydrophobicContact CG1-CD2 4.11Å; V382-Y487 HydrophobicContact CG1-CE2 4.34Å; V382-Y487 CarbonylContact O-C 3.16Å; V382-Y487 WeakPolarHBondContact O-CA 3.34Å; E384-Y487 HydrophobicContact CB-CE2 4.12Å; E384-Y487 VanDerWaalsContact OE2-CE2 3.28Å; E384-Y487 WeakPolarHBondContact OE2-CE2 3.45Å; E384-Y487 VanDerWaalsContact OE2-CZ 3.27Å; E384-Y487 PolarHBondContact OE2-OH 3.18Å; V433-Y487 HydrophobicContact CB-CD1 4.41Å; V433-Y487 HydrophobicContact CB-CE1 4.33Å; V433-Y487 HydrophobicContact CG1-CD1 3.9Å; V433-Y487 HydrophobicContact CG1-CD2 3.83Å; V433-Y487 HydrophobicContact CG1-CE1 4.2Å; V433-Y487 HydrophobicContact CG1-CE2 4.17Å; V433-Y487 HydrophobicContact CG1-CG 3.72Å; L434-Y487 HydrophobicContact CD2-CD1 4Å; L434-Y487 HydrophobicContact CD2-CG 4.5Å; L434-Y487 HydrophobicContact CG-CD1 4.41Å; R484-Y487 PolarHBondContact O-N 3.25Å; Y487-T489 HydrophobicContact CD2-CG2 4.16Å; Y487-T489 HydrophobicContact CE2-CG2 3.71Å |
| 488 | V | 92.6 | Very high | 70.9 | Confident | 55 Ų | 55 | 94.2 Ų | 94.2 | 33% | 0.333 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 96.4 | -164.7 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | V382 R383 E384 R385 | V382-V488 PolarHBondContact O-N 3.44Å; R383-V488 WeakPolarHBondContact CA-O 3.11Å; E384-V488 PolarHBondContact N-O 2.91Å; R385-V488 PolarHBondContact NH1-O 3.38Å |
| 489 | T | 84.9 | Confident | 67.9 | Low | 92 Ų | 92 | 104.7 Ų | 104.7 | 56% | 0.564 | 54% | 0.536 | S | S | * | . | trans | -95.9 | -20.2 | -178.4 | 54.1 | 0 | 0 | 0 | 0 | 114 | E384 R385 Y487 | E384-T489 HydrophobicContact CB-CG2 4.32Å; R385-T489 VanDerWaalsContact NH1-C 3.33Å; R385-T489 PolarHBondContact NH1-O 3.46Å; Y487-T489 HydrophobicContact CD2-CG2 4.16Å; Y487-T489 HydrophobicContact CE2-CG2 3.71Å | ||
| 490 | G | 68.2 | Low | 64.9 | Low | 45 Ų | 45 | 103 Ų | 103 | 46% | 0.464 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -92.7 | 155.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R385 | R385-G490 VanDerWaalsContact NH1-C 3.32Å; R385-G490 PolarHBondContact NH1-O 2.69Å; R385-G490 PolarHBondContact NH2-O 3.03Å |
| 491 | E | 53.2 | Low | 61.8 | Low | 154 Ų | 154 | 105.2 Ų | 105.2 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | trans | -43.6 | 149.1 | -172.7 | -74.6 | 170.1 | -139.2 | 0 | 0 | 117 | R385 N493 | R385-E491 VanDerWaalsContact NH2-C 3.34Å; E491-N493 VanDerWaalsContact C-N 3.25Å; E491-N493 PolarHBondContact O-N 3.04Å | ||
| 492 | L | 45.9 | Very low | 59 | Low | 60 Ų | 60 | 105.7 Ų | 105.7 | 31% | 0.314 | 58% | 0.584 | S | S | . | * | trans | -80.1 | 69.9 | 176.5 | -152 | -177.7 | 0 | 0 | 0 | 110.8 | E187 R383 R385 S494 | E187-L492 HydrophobicContact CG-CD1 4.3Å; R383-L492 VanDerWaalsContact NH1-CD1 3.26Å; R385-L492 VanDerWaalsContact NH2-N 3.17Å; L492-S494 PolarHBondContact O-N 3.08Å | ||
| 493 | N | 35.9 | Very low | 56.1 | Low | 133 Ų | 133 | 107.8 Ų | 107.8 | 71% | 0.711 | 60% | 0.596 | S | S | * | * | trans | -56.1 | 107.7 | 169.7 | -98.2 | -87.2 | 0 | 0 | 0 | 109.9 | E491 C495 | E491-N493 VanDerWaalsContact C-N 3.25Å; E491-N493 PolarHBondContact O-N 3.04Å; N493-C495 VanDerWaalsContact C-N 3.27Å; N493-C495 PolarHBondContact O-N 3Å | ||
| 494 | S | 31.4 | Very low | 53.1 | Low | 110 Ų | 110 | 119.5 Ų | 119.5 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | trans | -73.4 | 76.9 | -173.4 | 61.2 | 0 | 0 | 0 | 0 | 111.6 | L492 S496 | L492-S494 PolarHBondContact O-N 3.08Å; S494-S496 PolarHBondContact O-N 3.28Å | ||
| 495 | C | 27.8 | Very low | 50.1 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | trans | -69.8 | 99.4 | 179.8 | -164.3 | 0 | 0 | 0 | 0 | 109.8 | N493 L497 | N493-C495 VanDerWaalsContact C-N 3.27Å; N493-C495 PolarHBondContact O-N 3Å; C495-L497 PolarHBondContact O-N 3.05Å | ||
| 496 | S | 30 | Very low | 47.3 | Very low | 97 Ų | 97 | 121 Ų | 121 | 68% | 0.678 | 66% | 0.655 | S | S | * | * | trans | -54.4 | 136.6 | 175.4 | 55.4 | 0 | 0 | 0 | 0 | 110.5 | S494 E498 | S494-S496 PolarHBondContact O-N 3.28Å; S496-E498 PolarHBondContact O-N 3.16Å | ||
| 497 | L | 38.1 | Very low | 44.2 | Very low | 166 Ų | 166 | 126.6 Ų | 126.6 | 87% | 0.869 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -76.2 | 33.4 | -168.3 | -103 | 166.8 | 0 | 0 | 0 | 114.5 | C495 | C495-L497 PolarHBondContact O-N 3.05Š|
| 498 | E | 33.5 | Very low | 40.9 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -128 | 46.3 | -177 | -65.5 | -160.4 | 151.3 | 0 | 0 | 113.8 | S496 | S496-E498 PolarHBondContact O-N 3.16Š|
| 499 | R | 31.6 | Very low | 38 | Very low | 225 Ų | 225 | 135.6 Ų | 135.6 | 85% | 0.849 | 74% | 0.74 | S | S | * | * | trans | -164.8 | 14.8 | 159.8 | -105.7 | 142 | -156 | -159.9 | 6.5 | 117.1 | A501 | R499-A501 PolarHBondContact O-N 2.89Š| ||
| 500 | A | 31.1 | Very low | 35.3 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | 10.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 501 | A | 31.7 | Very low | 33.7 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -18.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | R499 | R499-A501 PolarHBondContact O-N 2.89Š|
| 502 | T | 36.1 | Very low | 32.8 | Very low | 127 Ų | 127 | 151.3 Ų | 151.3 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -131 | 16.9 | -164.8 | 45.6 | 0 | 0 | 0 | 0 | 116 | ||
| 503 | I | 32.1 | Very low | 32.3 | Very low | 128 Ų | 128 | 157.7 Ų | 157.7 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | trans | -114.2 | 79.9 | -180 | -54.3 | 177.1 | 0 | 0 | 0 | 112.1 | R505 | I503-R505 HydrophobicContact CG2-CG 3.83Å; I503-R505 PolarHBondContact O-N 3.2Å | ||
| 504 | R | 33.7 | Very low | 32.6 | Very low | 250 Ų | 250 | 154.3 Ų | 154.3 | 94% | 0.943 | 78% | 0.784 | S | S | * | * | trans | -76.8 | 99.2 | 151 | -71.3 | -175.1 | -179.5 | -178 | 1.1 | 108.1 | ||||
| 505 | R | 30.9 | Very low | 33.7 | Very low | 224 Ų | 224 | 158.2 Ų | 158.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 127.5 | 164.8 | -87.5 | -179.5 | -179.9 | -174.4 | 0.3 | 109.1 | I503 | I503-R505 HydrophobicContact CG2-CG 3.83Å; I503-R505 PolarHBondContact O-N 3.2Å |
| 506 | P | 33.5 | Very low | 35.6 | Very low | 113 Ų | 113 | 153.6 Ų | 153.6 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -75 | 159.8 | 177.9 | 32 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 507 | V | 30.1 | Very low | 37.6 | Very low | 129 Ų | 129 | 158.4 Ų | 158.4 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 138.1 | 171.1 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | L509 | V507-L509 VanDerWaalsContact C-N 3.26Å; V507-L509 PolarHBondContact O-N 2.99Å |
| 508 | N | 27 | Very low | 39.5 | Very low | 166 Ų | 166 | 153.5 Ų | 153.5 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | trans | -70.3 | 80.6 | 170.1 | -81.5 | -12.9 | 0 | 0 | 0 | 111 | ||||
| 509 | L | 30.4 | Very low | 41.6 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | trans | -74.3 | 156.8 | 147.5 | -67.5 | 171.4 | 0 | 0 | 0 | 108.6 | V507 R511 | V507-L509 VanDerWaalsContact C-N 3.26Å; V507-L509 PolarHBondContact O-N 2.99Å; L509-R511 PolarHBondContact O-N 3.33Å | ||
| 510 | Y | 29.4 | Very low | 44 | Very low | 244 Ų | 244 | 147 Ų | 147 | 96% | 0.957 | 72% | 0.722 | S | S | * | * | trans | -54.3 | 112.1 | 174.6 | -98 | -108 | 0 | 0 | 0 | 110 | R512 | Y510-R512 PolarHBondContact O-N 3.01Š| ||
| 511 | R | 33.6 | Very low | 46.5 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 55% | 0.551 | 69% | 0.685 | S | S | * | * | trans | -80.5 | 85.1 | -170.5 | -163 | -174.7 | -153.9 | -161.4 | 4.3 | 110.7 | L509 S514 E618 | L509-R511 PolarHBondContact O-N 3.33Å; R511-S514 VanDerWaalsContact CG-OG 3.26Å; R511-S514 WeakPolarHBondContact CG-OG 3.4Å; R511-E618 IonicContact CZ-OE2 3.77Å; R511-E618 IonicContact NH1-OE1 3.1Å; R511-E618 IonicContact NH1-OE2 3.69Å; R511-E618 PolarHBondContact NH1-OE2 2.61Å | ||
| 512 | R | 35.4 | Very low | 49.1 | Very low | 231 Ų | 231 | 139.7 Ų | 139.7 | 87% | 0.872 | 66% | 0.656 | S | S | * | * | trans | -52 | 139.1 | 154.6 | -147.6 | 178.6 | -166.4 | -178.1 | 3.1 | 107.7 | Y510 S514 | Y510-R512 PolarHBondContact O-N 3.01Å; R512-S514 PolarHBondContact O-N 2.69Å; R512-S514 PolarHBondContact O-OG 3.36Å | ||
| 513 | E | 35.7 | Very low | 51.5 | Low | 193 Ų | 193 | 136.1 Ų | 136.1 | 90% | 0.902 | 64% | 0.635 | S | S | * | * | trans | -47 | 115.2 | -170 | -69.4 | 161 | 123 | 0 | 0 | 110.7 | ||||
| 514 | S | 42.2 | Very low | 54.1 | Low | 62 Ų | 62 | 131.7 Ų | 131.7 | 43% | 0.434 | 61% | 0.61 | S | S | . | * | trans | -106.3 | 104.1 | -166.5 | -59.7 | 0 | 0 | 0 | 0 | 109.2 | R511 R512 I516 | R511-S514 VanDerWaalsContact CG-OG 3.26Å; R511-S514 WeakPolarHBondContact CG-OG 3.4Å; R512-S514 PolarHBondContact O-N 2.69Å; R512-S514 PolarHBondContact O-OG 3.36Å; S514-I516 PolarHBondContact O-N 3.42Å | ||
| 515 | E | 54.3 | Low | 56.6 | Low | 192 Ų | 192 | 119.8 Ų | 119.8 | 90% | 0.897 | 57% | 0.566 | S | S | * | * | trans | -44.8 | 119.8 | 179.8 | -62.4 | 175.1 | 152.3 | 0 | 0 | 112 | R517 | E515-R517 PolarHBondContact O-N 3.43Š| ||
| 516 | I | 66.8 | Low | 59.3 | Low | 25 Ų | 25 | 112.6 Ų | 112.6 | 13% | 0.128 | 54% | 0.542 | C | S | . | . | trans | -76 | 117.3 | 175.6 | -69.3 | 157.8 | 0 | 0 | 0 | 107.5 | S514 P518 L521 Y617 E618 | S514-I516 PolarHBondContact O-N 3.42Å; I516-P518 WeakPolarHBondContact O-CD 3.34Å; I516-P518 VanDerWaalsContact O-N 3.16Å; I516-L521 HydrophobicContact CG2-CB 4.03Å; I516-Y617 HydrophobicContact CD1-CD1 3.63Å; I516-Y617 HydrophobicContact CD1-CE1 4.22Å; I516-Y617 HydrophobicContact CD1-CG 4.46Å; I516-Y617 HydrophobicContact CG1-CD1 4.37Å; I516-Y617 HydrophobicContact CG2-CD1 4.46Å; I516-E618 HydrophobicContact CD1-CG 3.79Å | ||
| 517 | R | 72.8 | Confident | 61.8 | Low | 198 Ų | 198 | 113.2 Ų | 113.2 | 75% | 0.747 | 53% | 0.533 | S | S | * | . | trans | -53.6 | 121.3 | 178.4 | -74.4 | -174.4 | 174.3 | -177.8 | -3.6 | 110.1 | E515 S519 R520 L521 | E515-R517 PolarHBondContact O-N 3.43Å; R517-S519 VanDerWaalsContact C-N 3.26Å; R517-S519 PolarHBondContact O-N 3.23Å; R517-S519 VanDerWaalsContact O-N 3.11Å; R517-R520 WeakPolarHBondContact O-CB 3.31Å; R517-R520 PolarHBondContact O-N 3.03Å; R517-L521 PolarHBondContact O-N 3.23Å | ||
| 518 | P | 76.9 | Confident | 64.4 | Low | 62 Ų | 62 | 108.3 Ų | 108.3 | 40% | 0.403 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -34.3 | -169.7 | -30.8 | 37.6 | 0 | 0 | 0 | 114.4 | I516 R520 L521 L522 L540 I610 | I516-P518 WeakPolarHBondContact O-CD 3.34Å; I516-P518 VanDerWaalsContact O-N 3.16Å; P518-R520 VanDerWaalsContact C-N 3.26Å; P518-R520 PolarHBondContact O-N 3.41Å; P518-L521 PolarHBondContact O-N 2.96Å; P518-L521 VanDerWaalsContact O-N 3.16Å; P518-L522 WeakPolarHBondContact O-CB 3.46Å; P518-L522 PolarHBondContact O-N 3.21Å; P518-L540 HydrophobicContact CB-CD1 4.09Å; P518-L540 WeakPolarHBondContact O-CD1 3.27Å; P518-I610 HydrophobicContact CB-CD1 3.91Å; P518-I610 HydrophobicContact CB-CG1 4.45Å; P518-I610 HydrophobicContact CG-CD1 3.73Å |
| 519 | S | 77.9 | Confident | 67.2 | Low | 94 Ų | 94 | 100.5 Ų | 100.5 | 66% | 0.657 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -62.8 | -28.2 | 175.7 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | R517 S523 | R517-S519 VanDerWaalsContact C-N 3.26Å; R517-S519 PolarHBondContact O-N 3.23Å; R517-S519 VanDerWaalsContact O-N 3.11Å; S519-S523 WeakPolarHBondContact O-CB 3.23Å; S519-S523 PolarHBondContact O-N 3.41Å |
| 520 | R | 82.6 | Confident | 69.7 | Low | 165 Ų | 165 | 100.3 Ų | 100.3 | 62% | 0.623 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -79 | -35.3 | 174.2 | -178.3 | 175 | 175.2 | 144.3 | 5.1 | 111.9 | R517 P518 W524 Y617 | R517-R520 WeakPolarHBondContact O-CB 3.31Å; R517-R520 PolarHBondContact O-N 3.03Å; P518-R520 VanDerWaalsContact C-N 3.26Å; P518-R520 PolarHBondContact O-N 3.41Å; R520-W524 PolarHBondContact O-N 2.67Å; R520-W524 VanDerWaalsContact O-N 3.14Å; R520-Y617 PolarHBondContact NE-OH 3.44Å; R520-Y617 PolarHBondContact NH2-OH 2.72Å; R520-Y617 VanDerWaalsContact NH2-OH 3.15Å |
| 521 | L | 83.8 | Confident | 72.1 | Confident | 0 Ų | 0 | 92.6 Ų | 92.6 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -65.9 | -49.5 | 175.3 | -177.7 | 56.7 | 0 | 0 | 0 | 110.4 | I516 R517 P518 S523 W524 C525 L540 I610 L613 Y617 | I516-L521 HydrophobicContact CG2-CB 4.03Å; R517-L521 PolarHBondContact O-N 3.23Å; P518-L521 PolarHBondContact O-N 2.96Å; P518-L521 VanDerWaalsContact O-N 3.16Å; L521-S523 PolarHBondContact O-N 3.48Å; L521-W524 HydrophobicContact CD1-CE3 4.36Å; L521-W524 PolarHBondContact O-N 3.04Å; L521-W524 VanDerWaalsContact O-N 3.07Å; L521-C525 PolarHBondContact O-N 3.01Å; L521-C525 PolarHBondContact O-SG 3.32Å; L521-C525 VanDerWaalsContact O-SG 3.33Å; L521-L540 HydrophobicContact CB-CD1 4.14Å; L521-L540 HydrophobicContact CD2-CD1 4.1Å; L521-L540 HydrophobicContact CG-CD1 4.13Å; L521-L540 HydrophobicContact CG-CD2 4.45Å; L521-I610 HydrophobicContact CD2-CG2 4.11Å; L521-L613 HydrophobicContact CD1-CB 4.25Å; L521-L613 HydrophobicContact CD2-CB 3.96Å; L521-L613 HydrophobicContact CG-CB 4.35Å; L521-Y617 HydrophobicContact CD1-CD2 4.16Å; L521-Y617 HydrophobicContact CD1-CG 4.04Å |
| 522 | L | 86.5 | Confident | 74.5 | Confident | 38 Ų | 38 | 87.5 Ų | 87.5 | 20% | 0.199 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -52.7 | -52.3 | 174.7 | 179.2 | 57.5 | 0 | 0 | 0 | 112.3 | P518 W524 C525 Q526 I537 D539 L540 | P518-L522 WeakPolarHBondContact O-CB 3.46Å; P518-L522 PolarHBondContact O-N 3.21Å; L522-W524 PolarHBondContact O-N 2.83Å; L522-C525 PolarHBondContact O-N 2.97Å; L522-Q526 HydrophobicContact CD1-CG 4.21Å; L522-Q526 WeakPolarHBondContact O-CB 3.25Å; L522-Q526 VanDerWaalsContact O-CG 3.28Å; L522-Q526 WeakPolarHBondContact O-CG 3.34Å; L522-Q526 PolarHBondContact O-N 2.85Å; L522-I537 HydrophobicContact CD1-CG2 3.66Å; L522-D539 WeakPolarHBondContact CD1-O 3.13Å; L522-L540 HydrophobicContact CB-CD1 4.2Å; L522-L540 HydrophobicContact CB-CD2 4.19Å; L522-L540 HydrophobicContact CB-CG 4.08Å; L522-L540 HydrophobicContact CD1-CD2 4.13Å; L522-L540 HydrophobicContact CD1-CG 4.27Å |
| 523 | S | 85.3 | Confident | 76.4 | Confident | 51 Ų | 51 | 84.8 Ų | 84.8 | 36% | 0.357 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.5 | -18.8 | -179.9 | -169.8 | 0 | 0 | 0 | 0 | 114.1 | S519 L521 K527 | S519-S523 WeakPolarHBondContact O-CB 3.23Å; S519-S523 PolarHBondContact O-N 3.41Å; L521-S523 PolarHBondContact O-N 3.48Å; S523-K527 WeakPolarHBondContact O-CG 3.5Å |
| 524 | W | 87.5 | Confident | 78.4 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 13% | 0.133 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -79.2 | -49.9 | 169.9 | 175.2 | 77 | 0 | 0 | 0 | 111.3 | R520 L521 L522 Q526 K527 Q528 L553 F557 F616 Y617 F620 | R520-W524 PolarHBondContact O-N 2.67Å; R520-W524 VanDerWaalsContact O-N 3.14Å; L521-W524 HydrophobicContact CD1-CE3 4.36Å; L521-W524 PolarHBondContact O-N 3.04Å; L521-W524 VanDerWaalsContact O-N 3.07Å; L522-W524 PolarHBondContact O-N 2.83Å; W524-Q526 VanDerWaalsContact C-N 3.35Å; W524-Q526 PolarHBondContact O-N 3.48Å; W524-K527 PolarHBondContact O-N 2.97Å; W524-Q528 HydrophobicContact CD2-CG 3.96Å; W524-Q528 HydrophobicContact CE3-CG 4.44Å; W524-Q528 HydrophobicContact CG-CG 4.45Å; W524-Q528 HydrophobicContact CH2-CG 4.24Å; W524-Q528 HydrophobicContact CZ2-CG 3.71Å; W524-Q528 WeakPolarHBondContact O-CG 3.38Å; W524-Q528 PolarHBondContact O-N 3.18Å; W524-Q528 VanDerWaalsContact O-N 3.15Å; W524-Q528 PolarHBondContact O-NE2 3.41Å; W524-L553 HydrophobicContact CH2-CD1 3.88Å; W524-L553 HydrophobicContact CZ3-CD1 3.97Å; W524-L553 HydrophobicContact CZ3-CD2 4.27Å; W524-F557 HydrophobicContact CH2-CE2 4.08Å; W524-F557 AromaticContact CZ2-CE2 3.77Å; W524-F557 HydrophobicContact CZ2-CE2 3.77Å; W524-F557 AromaticContact CZ2-CZ 3.78Å; W524-F557 HydrophobicContact CZ2-CZ 3.78Å; W524-F616 HydrophobicContact CH2-CB 4.28Å; W524-F616 HydrophobicContact CZ3-CB 4.33Å; W524-Y617 HydrophobicContact CB-CD2 3.82Å; W524-Y617 HydrophobicContact CB-CE2 3.86Å; W524-Y617 AromaticContact CD2-CD2 3.56Å; W524-Y617 HydrophobicContact CD2-CD2 3.56Å; W524-Y617 HydrophobicContact CD2-CE2 4.26Å; W524-Y617 HydrophobicContact CD2-CG 4.5Å; W524-Y617 AromaticContact CE3-CD2 3.79Å; W524-Y617 HydrophobicContact CE3-CD2 3.79Å; W524-Y617 HydrophobicContact CE3-CG 4.42Å; W524-Y617 AromaticContact CG-CD2 3.58Å; W524-Y617 HydrophobicContact CG-CD2 3.58Å; W524-Y617 AromaticContact CG-CE2 3.8Å; W524-Y617 HydrophobicContact CG-CE2 3.8Å; W524-F620 HydrophobicContact CH2-CB 4.31Å; W524-F620 HydrophobicContact CZ2-CB 3.9Å |
| 525 | C | 86 | Confident | 80.4 | Confident | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -55.5 | -49.6 | 178 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | L521 L522 K527 Q528 T529 I537 W544 | L521-C525 PolarHBondContact O-N 3.01Å; L521-C525 PolarHBondContact O-SG 3.32Å; L521-C525 VanDerWaalsContact O-SG 3.33Å; L522-C525 PolarHBondContact O-N 2.97Å; C525-K527 PolarHBondContact O-N 2.75Å; C525-K527 VanDerWaalsContact O-N 3.1Å; C525-Q528 PolarHBondContact O-N 2.85Å; C525-T529 PolarHBondContact O-N 3.07Å; C525-T529 VanDerWaalsContact O-N 3.08Å; C525-T529 PolarHBondContact O-OG1 3.36Å; C525-I537 HydrophobicContact CB-CD1 3.9Å; C525-W544 HydrophobicContact CB-CH2 3.7Å; C525-W544 HydrophobicContact CB-CZ2 3.6Å |
| 526 | Q | 87.8 | Confident | 81.7 | Confident | 73 Ų | 73 | 73.8 Ų | 73.8 | 34% | 0.341 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -48.9 | -38.4 | 175.3 | -78.7 | 172.4 | -26.6 | 0 | 0 | 113.2 | L522 W524 E530 I537 | L522-Q526 HydrophobicContact CD1-CG 4.21Å; L522-Q526 WeakPolarHBondContact O-CB 3.25Å; L522-Q526 VanDerWaalsContact O-CG 3.28Å; L522-Q526 WeakPolarHBondContact O-CG 3.34Å; L522-Q526 PolarHBondContact O-N 2.85Å; W524-Q526 VanDerWaalsContact C-N 3.35Å; W524-Q526 PolarHBondContact O-N 3.48Å; Q526-E530 WeakPolarHBondContact O-CB 3.38Å; Q526-E530 PolarHBondContact O-N 2.97Å; Q526-I537 HydrophobicContact CG-CB 4.02Å; Q526-I537 HydrophobicContact CG-CG2 4.21Å; Q526-I537 VanDerWaalsContact CG-O 3.27Å; Q526-I537 WeakPolarHBondContact CG-O 3.39Å; Q526-I537 PolarHBondContact NE2-O 3.2Å |
| 527 | K | 85.8 | Confident | 82.6 | Confident | 127 Ų | 127 | 73.1 Ų | 73.1 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -86.1 | -12.8 | -179.5 | -69.1 | -178.8 | -179.9 | -170.6 | 0 | 114.5 | S523 W524 C525 | S523-K527 WeakPolarHBondContact O-CG 3.5Å; W524-K527 PolarHBondContact O-N 2.97Å; C525-K527 PolarHBondContact O-N 2.75Å; C525-K527 VanDerWaalsContact O-N 3.1Å |
| 528 | Q | 85.5 | Confident | 83.1 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 12% | 0.117 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -89.3 | -34.3 | 174.7 | -57.6 | -28.7 | -77.4 | 0 | 0 | 110.6 | W524 C525 L553 R556 F557 | W524-Q528 HydrophobicContact CD2-CG 3.96Å; W524-Q528 HydrophobicContact CE3-CG 4.44Å; W524-Q528 HydrophobicContact CG-CG 4.45Å; W524-Q528 HydrophobicContact CH2-CG 4.24Å; W524-Q528 HydrophobicContact CZ2-CG 3.71Å; W524-Q528 WeakPolarHBondContact O-CG 3.38Å; W524-Q528 PolarHBondContact O-N 3.18Å; W524-Q528 VanDerWaalsContact O-N 3.15Å; W524-Q528 PolarHBondContact O-NE2 3.41Å; C525-Q528 PolarHBondContact O-N 2.85Å; Q528-L553 HydrophobicContact CB-CD1 3.55Å; Q528-L553 HydrophobicContact CG-CD1 3.95Å; Q528-R556 HydrophobicContact CB-CG 4.4Å; Q528-R556 WeakPolarHBondContact O-CG 3.42Å; Q528-F557 HydrophobicContact CB-CE2 4.41Å; Q528-F557 HydrophobicContact CG-CE2 4Å; Q528-F557 HydrophobicContact CG-CZ 3.93Å |
| 529 | T | 85.2 | Confident | 83.4 | Confident | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.018 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -94.2 | 5.8 | 176.8 | 69 | 0 | 0 | 0 | 0 | 113.7 | C525 G531 Y532 V535 I537 A552 L553 | C525-T529 PolarHBondContact O-N 3.07Å; C525-T529 VanDerWaalsContact O-N 3.08Å; C525-T529 PolarHBondContact O-OG1 3.36Å; T529-G531 PolarHBondContact O-N 3.07Å; T529-Y532 PolarHBondContact O-N 3.33Å; T529-V535 HydrophobicContact CG2-CG1 4.04Å; T529-I537 HydrophobicContact CG2-CD1 3.74Å; T529-I537 WeakPolarHBondContact OG1-CD1 3.38Å; T529-A552 HydrophobicContact CG2-CB 3.93Å; T529-L553 HydrophobicContact CG2-CB 4.39Å |
| 530 | E | 83.5 | Confident | 83.6 | Confident | 142 Ų | 142 | 63.2 Ų | 63.2 | 66% | 0.664 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | 122.4 | 175.8 | -169.4 | 166.9 | -163 | 0 | 0 | 110.4 | Q526 | Q526-E530 WeakPolarHBondContact O-CB 3.38Å; Q526-E530 PolarHBondContact O-N 2.97Å |
| 531 | G | 79 | Confident | 83.4 | Confident | 82 Ų | 82 | 56.5 Ų | 56.5 | 85% | 0.845 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.8 | -7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | T529 | T529-G531 PolarHBondContact O-N 3.07Š|
| 532 | Y | 84.3 | Confident | 83.2 | Confident | 40 Ų | 40 | 59.9 Ų | 59.9 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | trans | -75.5 | 140.1 | 172 | -76.3 | -92.8 | 0 | 0 | 0 | 111.4 | T529 N534 A552 H555 R556 F564 | T529-Y532 PolarHBondContact O-N 3.33Å; Y532-N534 PolarHBondContact O-N 3.05Å; Y532-A552 HydrophobicContact CD1-CB 3.74Å; Y532-A552 HydrophobicContact CD2-CB 4.01Å; Y532-A552 HydrophobicContact CE1-CB 4.09Å; Y532-A552 HydrophobicContact CE2-CB 4.3Å; Y532-A552 HydrophobicContact CG-CB 3.68Å; Y532-A552 PolarHBondContact OH-O 3.46Å; Y532-H555 HydrophobicContact CE1-CB 4.33Å; Y532-H555 AromaticContact CE1-ND1 3.39Å; Y532-H555 WeakPolarHBondContact CE1-ND1 3.49Å; Y532-H555 AromaticContact CZ-ND1 3.56Å; Y532-H555 PolarHBondContact OH-ND1 2.7Å; Y532-R556 HydrophobicContact CE2-CB 4.29Å; Y532-R556 VanDerWaalsContact OH-CA 3.28Å; Y532-R556 WeakPolarHBondContact OH-CA 3.44Å; Y532-R556 PolarHBondContact OH-N 2.91Å; Y532-R556 VanDerWaalsContact OH-N 3.11Å; Y532-F564 AromaticContact CD1-CD1 3.8Å; Y532-F564 HydrophobicContact CD1-CD1 3.8Å; Y532-F564 HydrophobicContact CD1-CD2 4.05Å; Y532-F564 AromaticContact CD1-CE1 3.64Å; Y532-F564 HydrophobicContact CD1-CE1 3.64Å; Y532-F564 AromaticContact CD1-CE2 3.89Å; Y532-F564 HydrophobicContact CD1-CE2 3.89Å; Y532-F564 HydrophobicContact CD1-CG 4.02Å; Y532-F564 AromaticContact CD1-CZ 3.68Å; Y532-F564 HydrophobicContact CD1-CZ 3.68Å; Y532-F564 HydrophobicContact CE1-CD1 4.22Å; Y532-F564 HydrophobicContact CE1-CD2 4.13Å; Y532-F564 HydrophobicContact CE1-CE1 4.47Å; Y532-F564 HydrophobicContact CE1-CE2 4.38Å; Y532-F564 HydrophobicContact CE1-CG 4.06Å; Y532-F564 HydrophobicContact CG-CZ 4.38Å | ||
| 533 | R | 76.1 | Confident | 83 | Confident | 174 Ų | 174 | 59 Ų | 59 | 66% | 0.657 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 136.4 | 172.7 | -63.3 | -175.9 | -170.7 | 131.1 | 10.6 | 109.2 | V535 D565 | R533-V535 PolarHBondContact O-N 2.7Å; R533-D565 IonicContact CZ-OD1 3.15Å; R533-D565 IonicContact NH1-OD1 2.61Å; R533-D565 PolarHBondContact NH1-OD1 2.88Å; R533-D565 IonicContact NH2-OD1 2.67Å |
| 534 | N | 77.4 | Confident | 83 | Confident | 100 Ų | 100 | 56.7 Ų | 56.7 | 54% | 0.535 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 17.4 | 170.8 | -51.4 | -23.9 | 0 | 0 | 0 | 116.7 | Y532 E569 | Y532-N534 PolarHBondContact O-N 3.05Å; N534-E569 HydrophobicContact CB-CG 4.4Å; N534-E569 VanDerWaalsContact CB-OE1 3.25Å; N534-E569 WeakPolarHBondContact CB-OE1 3.45Å; N534-E569 VanDerWaalsContact CG-OE1 3.3Å; N534-E569 PolarHBondContact ND2-OE1 3.21Å; N534-E569 PolarHBondContact ND2-OE2 3.5Å |
| 535 | V | 83.6 | Confident | 82.5 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.121 | 32% | 0.319 | C | S | . | . | trans | -111.8 | 97.3 | 175.7 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | T529 R533 I537 I548 A549 A552 F564 | T529-V535 HydrophobicContact CG2-CG1 4.04Å; R533-V535 PolarHBondContact O-N 2.7Å; V535-I537 HydrophobicContact CG1-CD1 4.43Å; V535-I537 HydrophobicContact CG1-CG1 4.06Å; V535-I548 HydrophobicContact CG2-CB 4.24Å; V535-I548 HydrophobicContact CG2-CG2 3.65Å; V535-A549 HydrophobicContact CG1-CB 3.86Å; V535-A552 HydrophobicContact CG2-CB 4.06Å; V535-F564 HydrophobicContact CG2-CZ 4.24Å | ||
| 536 | S | 80.9 | Confident | 82.2 | Confident | 96 Ų | 96 | 60.4 Ų | 60.4 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | trans | -113.9 | 91.1 | 176.6 | 62.7 | 0 | 0 | 0 | 0 | 112.2 | T538 | S536-T538 PolarHBondContact O-N 2.83Š| ||
| 537 | I | 85.9 | Confident | 81.9 | Confident | 11 Ų | 11 | 56.9 Ų | 56.9 | 6% | 0.056 | 31% | 0.313 | C | S | . | . | trans | -77.9 | 106.5 | -178.6 | -54.6 | 178.8 | 0 | 0 | 0 | 110.6 | L522 C525 Q526 T529 V535 D539 W544 | L522-I537 HydrophobicContact CD1-CG2 3.66Å; C525-I537 HydrophobicContact CB-CD1 3.9Å; Q526-I537 HydrophobicContact CG-CB 4.02Å; Q526-I537 HydrophobicContact CG-CG2 4.21Å; Q526-I537 VanDerWaalsContact CG-O 3.27Å; Q526-I537 WeakPolarHBondContact CG-O 3.39Å; Q526-I537 PolarHBondContact NE2-O 3.2Å; T529-I537 HydrophobicContact CG2-CD1 3.74Å; T529-I537 WeakPolarHBondContact OG1-CD1 3.38Å; V535-I537 HydrophobicContact CG1-CD1 4.43Å; V535-I537 HydrophobicContact CG1-CG1 4.06Å; I537-D539 WeakPolarHBondContact CG2-O 3.11Å; I537-W544 HydrophobicContact CD1-CH2 3.62Å; I537-W544 HydrophobicContact CD1-CZ2 3.62Å; I537-W544 HydrophobicContact CD1-CZ3 4.3Å; I537-W544 HydrophobicContact CG1-CZ2 4.41Å; I537-W544 HydrophobicContact CG2-CZ2 4.01Å | ||
| 538 | T | 82.8 | Confident | 82 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | trans | -104.1 | -24.1 | 175.6 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | S536 S543 | S536-T538 PolarHBondContact O-N 2.83Å; T538-S543 PolarHBondContact N-OG 2.8Å; T538-S543 PolarHBondContact OG1-OG 3.04Å | ||
| 539 | D | 83.6 | Confident | 82.1 | Confident | 35 Ų | 35 | 50.3 Ų | 50.3 | 19% | 0.187 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -140.7 | -172.4 | -178.7 | 77.1 | -1.2 | 0 | 0 | 0 | 113 | L522 I537 T541 S542 S543 W544 | L522-D539 WeakPolarHBondContact CD1-O 3.13Å; I537-D539 WeakPolarHBondContact CG2-O 3.11Å; D539-T541 PolarHBondContact OD1-N 2.98Å; D539-T541 WeakPolarHBondContact OD2-CB 3.25Å; D539-T541 PolarHBondContact OD2-OG1 3.49Å; D539-S542 VanDerWaalsContact CG-N 3.33Å; D539-S542 VanDerWaalsContact CG-OG 3.26Å; D539-S542 PolarHBondContact OD1-N 2.86Å; D539-S542 PolarHBondContact OD1-OG 2.96Å; D539-S542 PolarHBondContact OD2-N 3.43Å; D539-S542 PolarHBondContact OD2-OG 2.71Å; D539-S543 PolarHBondContact N-OG 3.42Å; D539-S543 VanDerWaalsContact OD1-CB 3.25Å; D539-S543 WeakPolarHBondContact OD1-CB 3.32Å; D539-S543 PolarHBondContact OD1-N 2.75Å; D539-S543 PolarHBondContact OD1-OG 3.13Å; D539-W544 PolarHBondContact O-NE1 3.5Å; D539-W544 VanDerWaalsContact O-NE1 3.1Å |
| 540 | L | 82.5 | Confident | 82.3 | Confident | 8 Ų | 8 | 50.2 Ų | 50.2 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -114.6 | 34 | 173.4 | -63.8 | 178.4 | 0 | 0 | 0 | 111.1 | P518 L521 L522 W544 I610 L613 | P518-L540 HydrophobicContact CB-CD1 4.09Å; P518-L540 WeakPolarHBondContact O-CD1 3.27Å; L521-L540 HydrophobicContact CB-CD1 4.14Å; L521-L540 HydrophobicContact CD2-CD1 4.1Å; L521-L540 HydrophobicContact CG-CD1 4.13Å; L521-L540 HydrophobicContact CG-CD2 4.45Å; L522-L540 HydrophobicContact CB-CD1 4.2Å; L522-L540 HydrophobicContact CB-CD2 4.19Å; L522-L540 HydrophobicContact CB-CG 4.08Å; L522-L540 HydrophobicContact CD1-CD2 4.13Å; L522-L540 HydrophobicContact CD1-CG 4.27Å; L540-W544 HydrophobicContact CD2-CZ2 4.23Å; L540-I610 HydrophobicContact CB-CG1 4.27Å; L540-I610 HydrophobicContact CD1-CG1 3.87Å; L540-L613 HydrophobicContact CD2-CD1 3.92Å |
| 541 | T | 78.5 | Confident | 82.5 | Confident | 25 Ų | 25 | 43.5 Ų | 43.5 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -144.3 | -85.1 | -170 | 21.5 | 0 | 0 | 0 | 0 | 110.7 | D539 K606 | D539-T541 PolarHBondContact OD1-N 2.98Å; D539-T541 WeakPolarHBondContact OD2-CB 3.25Å; D539-T541 PolarHBondContact OD2-OG1 3.49Å; T541-K606 HydrophobicContact CG2-CB 3.69Å; T541-K606 HydrophobicContact CG2-CD 4.13Å; T541-K606 HydrophobicContact CG2-CG 3.89Å |
| 542 | S | 79 | Confident | 83 | Confident | 71 Ų | 71 | 39.6 Ų | 39.6 | 50% | 0.497 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -67.5 | -36.3 | -177.8 | 60 | 0 | 0 | 0 | 0 | 113.5 | D539 W544 R545 | D539-S542 VanDerWaalsContact CG-N 3.33Å; D539-S542 VanDerWaalsContact CG-OG 3.26Å; D539-S542 PolarHBondContact OD1-N 2.86Å; D539-S542 PolarHBondContact OD1-OG 2.96Å; D539-S542 PolarHBondContact OD2-N 3.43Å; D539-S542 PolarHBondContact OD2-OG 2.71Å; S542-W544 PolarHBondContact O-N 3.34Å; S542-R545 PolarHBondContact O-N 2.76Å; S542-R545 VanDerWaalsContact O-N 3.12Å |
| 543 | S | 83.8 | Confident | 83.2 | Confident | 20 Ų | 20 | 37.7 Ų | 37.7 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -62.7 | -5.7 | -175.4 | -48.3 | 0 | 0 | 0 | 0 | 115.1 | T538 D539 A549 | T538-S543 PolarHBondContact N-OG 2.8Å; T538-S543 PolarHBondContact OG1-OG 3.04Å; D539-S543 PolarHBondContact N-OG 3.42Å; D539-S543 VanDerWaalsContact OD1-CB 3.25Å; D539-S543 WeakPolarHBondContact OD1-CB 3.32Å; D539-S543 PolarHBondContact OD1-N 2.75Å; D539-S543 PolarHBondContact OD1-OG 3.13Å; S543-A549 WeakPolarHBondContact O-CB 3.43Å |
| 544 | W | 84.1 | Confident | 83.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.008 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -118.5 | -6.3 | -174.8 | -56.2 | 85 | 0 | 0 | 0 | 112.8 | C525 I537 D539 L540 S542 S546 G547 A549 L550 L553 M609 L613 | C525-W544 HydrophobicContact CB-CH2 3.7Å; C525-W544 HydrophobicContact CB-CZ2 3.6Å; I537-W544 HydrophobicContact CD1-CH2 3.62Å; I537-W544 HydrophobicContact CD1-CZ2 3.62Å; I537-W544 HydrophobicContact CD1-CZ3 4.3Å; I537-W544 HydrophobicContact CG1-CZ2 4.41Å; I537-W544 HydrophobicContact CG2-CZ2 4.01Å; D539-W544 PolarHBondContact O-NE1 3.5Å; D539-W544 VanDerWaalsContact O-NE1 3.1Å; L540-W544 HydrophobicContact CD2-CZ2 4.23Å; S542-W544 PolarHBondContact O-N 3.34Å; W544-S546 VanDerWaalsContact C-N 3.27Å; W544-S546 PolarHBondContact O-N 3.07Å; W544-G547 PolarHBondContact O-N 3.43Å; W544-A549 HydrophobicContact CD2-CB 4.16Å; W544-A549 HydrophobicContact CE3-CB 3.63Å; W544-A549 HydrophobicContact CZ3-CB 4.02Å; W544-A549 WeakPolarHBondContact CZ3-O 3.41Å; W544-L550 HydrophobicContact CE3-CD2 3.66Å; W544-L550 HydrophobicContact CE3-CG 3.93Å; W544-L550 HydrophobicContact CZ3-CD2 3.81Å; W544-L550 HydrophobicContact CZ3-CG 4.38Å; W544-L553 HydrophobicContact CH2-CD2 4.24Å; W544-L553 HydrophobicContact CZ3-CD2 4.23Å; W544-M609 HydrophobicContact CB-CE 3.34Å; W544-M609 HydrophobicContact CG-CE 3.75Å; W544-L613 HydrophobicContact CD2-CD1 3.96Å; W544-L613 HydrophobicContact CD2-CD2 4.34Å; W544-L613 HydrophobicContact CE3-CD1 4.42Å; W544-L613 HydrophobicContact CE3-CD2 3.97Å; W544-L613 HydrophobicContact CG-CD1 4.49Å; W544-L613 HydrophobicContact CH2-CD1 4.12Å; W544-L613 HydrophobicContact CH2-CD2 3.64Å; W544-L613 HydrophobicContact CZ2-CD1 3.61Å; W544-L613 HydrophobicContact CZ2-CD2 4.04Å; W544-L613 HydrophobicContact CZ2-CG 4.49Å; W544-L613 HydrophobicContact CZ3-CD2 3.62Å |
| 545 | R | 77.6 | Confident | 84.4 | Confident | 81 Ų | 81 | 27 Ų | 27 | 31% | 0.306 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -31.1 | -178.6 | -83.1 | -174.6 | 162.9 | -168.8 | -5.6 | 113.2 | S542 G547 D601 E602 L604 | S542-R545 PolarHBondContact O-N 2.76Å; S542-R545 VanDerWaalsContact O-N 3.12Å; R545-G547 VanDerWaalsContact C-N 3.27Å; R545-G547 PolarHBondContact O-N 3Å; R545-D601 IonicContact CZ-OD1 2.65Å; R545-D601 IonicContact NH1-OD1 2.74Å; R545-D601 PolarHBondContact NH1-OD1 3.2Å; R545-D601 IonicContact NH2-OD1 3.97Å; R545-D601 PolarHBondContact NH2-OD1 3.47Å; R545-E602 PolarHBondContact NH2-O 2.68Å; R545-L604 HydrophobicContact CG-CD1 4.01Å |
| 546 | S | 80.1 | Confident | 84.5 | Confident | 31 Ų | 31 | 30.3 Ų | 30.3 | 22% | 0.217 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -5.9 | -178.9 | 59.6 | 0 | 0 | 0 | 0 | 115.1 | W544 I548 | W544-S546 VanDerWaalsContact C-N 3.27Å; W544-S546 PolarHBondContact O-N 3.07Å; S546-I548 PolarHBondContact O-N 3.03Å |
| 547 | G | 81.7 | Confident | 84.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 74.5 | -36.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W544 R545 A549 L550 C551 | W544-G547 PolarHBondContact O-N 3.43Å; R545-G547 VanDerWaalsContact C-N 3.27Å; R545-G547 PolarHBondContact O-N 3Å; G547-A549 PolarHBondContact O-N 3.33Å; G547-A549 VanDerWaalsContact O-N 3.08Å; G547-L550 WeakPolarHBondContact O-CA 3.05Å; G547-L550 WeakPolarHBondContact O-CB 3.08Å; G547-L550 PolarHBondContact O-N 3.46Å; G547-C551 PolarHBondContact O-N 3.3Å; G547-C551 VanDerWaalsContact O-N 3.14Å |
| 548 | I | 86.8 | Confident | 84.4 | Confident | 11 Ų | 11 | 28.9 Ų | 28.9 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -51.1 | -39 | -176.9 | -42.4 | 173.1 | 0 | 0 | 0 | 112.4 | V535 S546 L550 C551 A552 F564 E569 | V535-I548 HydrophobicContact CG2-CB 4.24Å; V535-I548 HydrophobicContact CG2-CG2 3.65Å; S546-I548 PolarHBondContact O-N 3.03Å; I548-L550 VanDerWaalsContact C-N 3.32Å; I548-L550 PolarHBondContact O-N 3.21Å; I548-C551 WeakPolarHBondContact O-CB 3.49Å; I548-C551 PolarHBondContact O-N 2.92Å; I548-A552 WeakPolarHBondContact O-CB 3.43Å; I548-A552 PolarHBondContact O-N 3.28Å; I548-F564 HydrophobicContact CG2-CE2 3.77Å; I548-F564 HydrophobicContact CG2-CZ 3.59Å; I548-E569 HydrophobicContact CD1-CB 4.24Å; I548-E569 HydrophobicContact CD1-CG 4.13Å |
| 549 | A | 88.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 2% | 0.017 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.8 | -30.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | V535 S543 W544 G547 L553 | V535-A549 HydrophobicContact CG1-CB 3.86Å; S543-A549 WeakPolarHBondContact O-CB 3.43Å; W544-A549 HydrophobicContact CD2-CB 4.16Å; W544-A549 HydrophobicContact CE3-CB 3.63Å; W544-A549 HydrophobicContact CZ3-CB 4.02Å; W544-A549 WeakPolarHBondContact CZ3-O 3.41Å; G547-A549 PolarHBondContact O-N 3.33Å; G547-A549 VanDerWaalsContact O-N 3.08Å; A549-L553 WeakPolarHBondContact O-CB 3.12Å; A549-L553 PolarHBondContact O-N 3.5Å |
| 550 | L | 88.2 | Confident | 84.3 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -74.9 | -42.4 | 170.7 | -66.8 | 172.8 | 0 | 0 | 0 | 110.7 | W544 G547 I548 A552 L553 I554 L576 A579 F580 Y612 L613 | W544-L550 HydrophobicContact CE3-CD2 3.66Å; W544-L550 HydrophobicContact CE3-CG 3.93Å; W544-L550 HydrophobicContact CZ3-CD2 3.81Å; W544-L550 HydrophobicContact CZ3-CG 4.38Å; G547-L550 WeakPolarHBondContact O-CA 3.05Å; G547-L550 WeakPolarHBondContact O-CB 3.08Å; G547-L550 PolarHBondContact O-N 3.46Å; I548-L550 VanDerWaalsContact C-N 3.32Å; I548-L550 PolarHBondContact O-N 3.21Å; L550-A552 PolarHBondContact O-N 3.06Å; L550-L553 WeakPolarHBondContact O-CB 3.41Å; L550-L553 PolarHBondContact O-N 3.29Å; L550-L553 VanDerWaalsContact O-N 3.16Å; L550-I554 WeakPolarHBondContact O-CG1 3.46Å; L550-I554 PolarHBondContact O-N 3.44Å; L550-L576 HydrophobicContact CD1-CD1 3.74Å; L550-A579 HydrophobicContact CB-CB 3.7Å; L550-A579 HydrophobicContact CD1-CB 4.26Å; L550-F580 HydrophobicContact CD1-CD1 4.27Å; L550-F580 HydrophobicContact CD1-CE1 3.79Å; L550-Y612 HydrophobicContact CD2-CE1 4.45Å; L550-L613 HydrophobicContact CD2-CD2 3.77Å |
| 551 | C | 88.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.7 | -46.5 | 175.8 | -63.6 | 0 | 0 | 0 | 0 | 112 | G547 I548 L553 I554 H555 I562 F564 L567 | G547-C551 PolarHBondContact O-N 3.3Å; G547-C551 VanDerWaalsContact O-N 3.14Å; I548-C551 WeakPolarHBondContact O-CB 3.49Å; I548-C551 PolarHBondContact O-N 2.92Å; C551-L553 VanDerWaalsContact C-N 3.33Å; C551-L553 PolarHBondContact O-N 3.38Å; C551-I554 PolarHBondContact O-N 3.18Å; C551-H555 VanDerWaalsContact O-CB 3.31Å; C551-H555 WeakPolarHBondContact O-CB 3.42Å; C551-H555 PolarHBondContact O-N 3Å; C551-I562 HydrophobicContact CB-CD1 4.04Å; C551-I562 HydrophobicContact CB-CG2 4.34Å; C551-F564 HydrophobicContact CB-CD2 4.29Å; C551-F564 HydrophobicContact CB-CE2 4.28Å; C551-L567 HydrophobicContact CB-CD1 3.54Å |
| 552 | A | 88.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | T529 Y532 V535 I548 L550 R556 F564 | T529-A552 HydrophobicContact CG2-CB 3.93Å; Y532-A552 HydrophobicContact CD1-CB 3.74Å; Y532-A552 HydrophobicContact CD2-CB 4.01Å; Y532-A552 HydrophobicContact CE1-CB 4.09Å; Y532-A552 HydrophobicContact CE2-CB 4.3Å; Y532-A552 HydrophobicContact CG-CB 3.68Å; Y532-A552 PolarHBondContact OH-O 3.46Å; V535-A552 HydrophobicContact CG2-CB 4.06Å; I548-A552 WeakPolarHBondContact O-CB 3.43Å; I548-A552 PolarHBondContact O-N 3.28Å; L550-A552 PolarHBondContact O-N 3.06Å; A552-R556 WeakPolarHBondContact O-CB 3.37Å; A552-R556 PolarHBondContact O-N 3.27Å; A552-F564 HydrophobicContact CB-CD2 4.37Å; A552-F564 HydrophobicContact CB-CE2 3.64Å; A552-F564 HydrophobicContact CB-CZ 4.18Å |
| 553 | L | 88.9 | Confident | 85 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.8 | -38.8 | 177.7 | -174.4 | 65 | 0 | 0 | 0 | 111.9 | W524 Q528 T529 W544 A549 L550 C551 F557 L613 F616 | W524-L553 HydrophobicContact CH2-CD1 3.88Å; W524-L553 HydrophobicContact CZ3-CD1 3.97Å; W524-L553 HydrophobicContact CZ3-CD2 4.27Å; Q528-L553 HydrophobicContact CB-CD1 3.55Å; Q528-L553 HydrophobicContact CG-CD1 3.95Å; T529-L553 HydrophobicContact CG2-CB 4.39Å; W544-L553 HydrophobicContact CH2-CD2 4.24Å; W544-L553 HydrophobicContact CZ3-CD2 4.23Å; A549-L553 WeakPolarHBondContact O-CB 3.12Å; A549-L553 PolarHBondContact O-N 3.5Å; L550-L553 WeakPolarHBondContact O-CB 3.41Å; L550-L553 PolarHBondContact O-N 3.29Å; L550-L553 VanDerWaalsContact O-N 3.16Å; C551-L553 VanDerWaalsContact C-N 3.33Å; C551-L553 PolarHBondContact O-N 3.38Å; L553-F557 HydrophobicContact CD1-CE2 4.17Å; L553-F557 WeakPolarHBondContact O-CD2 3.49Å; L553-L613 HydrophobicContact CD2-CD2 4.27Å; L553-F616 HydrophobicContact CD2-CB 4.14Å; L553-F616 HydrophobicContact CD2-CD1 4.1Å; L553-F616 HydrophobicContact CD2-CG 4.13Å |
| 554 | I | 88.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -69.9 | -51.7 | 176.3 | -67.2 | 164 | 0 | 0 | 0 | 110.5 | L550 C551 R556 F557 K558 L561 I562 A579 I582 F587 F616 | L550-I554 WeakPolarHBondContact O-CG1 3.46Å; L550-I554 PolarHBondContact O-N 3.44Å; C551-I554 PolarHBondContact O-N 3.18Å; I554-R556 PolarHBondContact O-N 3.27Å; I554-F557 PolarHBondContact O-N 2.85Å; I554-K558 PolarHBondContact O-N 3.28Å; I554-L561 HydrophobicContact CG2-CB 4.47Å; I554-L561 HydrophobicContact CG2-CD1 4.34Å; I554-I562 HydrophobicContact CB-CD1 3.79Å; I554-I562 HydrophobicContact CD1-CD1 4.12Å; I554-I562 HydrophobicContact CG2-CD1 3.64Å; I554-I562 HydrophobicContact CG2-CG1 4.22Å; I554-A579 HydrophobicContact CD1-CB 4.23Å; I554-I582 HydrophobicContact CG2-CG2 4.04Å; I554-F587 HydrophobicContact CG1-CE2 4.24Å; I554-F587 HydrophobicContact CG2-CE2 4.01Å; I554-F587 HydrophobicContact CG2-CZ 4.35Å; I554-F616 HydrophobicContact CG1-CE1 4.04Å |
| 555 | H | 89.5 | Confident | 85 | Confident | 50 Ų | 50 | 39.6 Ų | 39.6 | 23% | 0.231 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55.5 | -35.6 | 178.7 | -178.7 | -97.2 | 0 | 0 | 0 | 112 | Y532 C551 F557 K558 P559 I562 | Y532-H555 HydrophobicContact CE1-CB 4.33Å; Y532-H555 AromaticContact CE1-ND1 3.39Å; Y532-H555 WeakPolarHBondContact CE1-ND1 3.49Å; Y532-H555 AromaticContact CZ-ND1 3.56Å; Y532-H555 PolarHBondContact OH-ND1 2.7Å; C551-H555 VanDerWaalsContact O-CB 3.31Å; C551-H555 WeakPolarHBondContact O-CB 3.42Å; C551-H555 PolarHBondContact O-N 3Å; H555-F557 PolarHBondContact O-N 2.94Å; H555-K558 CarbonylContact O-C 3.6Å; H555-P559 WeakPolarHBondContact CD2-CA 3.34Å; H555-P559 PolarHBondContact CD2-O 2.78Å; H555-P559 WeakPolarHBondContact NE2-CB 3.49Å; H555-P559 VanDerWaalsContact O-CA 3.26Å; H555-P559 WeakPolarHBondContact O-CA 3.31Å; H555-P559 WeakPolarHBondContact O-CD 3.29Å; H555-P559 VanDerWaalsContact O-N 3.07Å; H555-I562 PolarHBondContact CD2-O 2.7Å |
| 556 | R | 85.3 | Confident | 85.2 | Confident | 89 Ų | 89 | 39.3 Ų | 39.3 | 34% | 0.336 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27.8 | 177.7 | -172.1 | 55.2 | 159.4 | 174.2 | -7.9 | 114.4 | Q528 Y532 A552 I554 L625 | Q528-R556 HydrophobicContact CB-CG 4.4Å; Q528-R556 WeakPolarHBondContact O-CG 3.42Å; Y532-R556 HydrophobicContact CE2-CB 4.29Å; Y532-R556 VanDerWaalsContact OH-CA 3.28Å; Y532-R556 WeakPolarHBondContact OH-CA 3.44Å; Y532-R556 PolarHBondContact OH-N 2.91Å; Y532-R556 VanDerWaalsContact OH-N 3.11Å; A552-R556 WeakPolarHBondContact O-CB 3.37Å; A552-R556 PolarHBondContact O-N 3.27Å; I554-R556 PolarHBondContact O-N 3.27Å; R556-L625 HydrophobicContact CG-CD2 4.16Å |
| 557 | F | 82.5 | Confident | 85.3 | Confident | 21 Ų | 21 | 39.2 Ų | 39.2 | 9% | 0.092 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | -24 | -178.7 | -67.2 | -68.4 | 0 | 0 | 0 | 114.2 | W524 Q528 L553 I554 H555 F620 L625 | W524-F557 HydrophobicContact CH2-CE2 4.08Å; W524-F557 AromaticContact CZ2-CE2 3.77Å; W524-F557 HydrophobicContact CZ2-CE2 3.77Å; W524-F557 AromaticContact CZ2-CZ 3.78Å; W524-F557 HydrophobicContact CZ2-CZ 3.78Å; Q528-F557 HydrophobicContact CB-CE2 4.41Å; Q528-F557 HydrophobicContact CG-CE2 4Å; Q528-F557 HydrophobicContact CG-CZ 3.93Å; L553-F557 HydrophobicContact CD1-CE2 4.17Å; L553-F557 WeakPolarHBondContact O-CD2 3.49Å; I554-F557 PolarHBondContact O-N 2.85Å; H555-F557 PolarHBondContact O-N 2.94Å; F557-F620 HydrophobicContact CB-CD1 3.74Å; F557-F620 HydrophobicContact CB-CE1 3.51Å; F557-F620 HydrophobicContact CB-CG 4.35Å; F557-F620 HydrophobicContact CB-CZ 3.95Å; F557-F620 HydrophobicContact CD1-CB 4.15Å; F557-F620 AromaticContact CD1-CD1 3.75Å; F557-F620 HydrophobicContact CD1-CD1 3.75Å; F557-F620 HydrophobicContact CD1-CE1 4.41Å; F557-F620 HydrophobicContact CD1-CG 4.06Å; F557-F620 HydrophobicContact CD2-CB 4.06Å; F557-F620 AromaticContact CD2-CD1 3.91Å; F557-F620 HydrophobicContact CD2-CD1 3.91Å; F557-F620 AromaticContact CD2-CD2 3.79Å; F557-F620 HydrophobicContact CD2-CD2 3.79Å; F557-F620 HydrophobicContact CD2-CE1 4.3Å; F557-F620 HydrophobicContact CD2-CE2 4.18Å; F557-F620 AromaticContact CD2-CG 3.64Å; F557-F620 HydrophobicContact CD2-CG 3.64Å; F557-F620 HydrophobicContact CD2-CZ 4.42Å; F557-F620 HydrophobicContact CE1-CB 3.89Å; F557-F620 HydrophobicContact CE1-CD1 4.35Å; F557-F620 HydrophobicContact CE1-CG 4.29Å; F557-F620 HydrophobicContact CE2-CB 3.79Å; F557-F620 HydrophobicContact CE2-CD1 4.49Å; F557-F620 HydrophobicContact CE2-CD2 4.13Å; F557-F620 AromaticContact CE2-CG 3.9Å; F557-F620 HydrophobicContact CE2-CG 3.9Å; F557-F620 HydrophobicContact CG-CB 4.25Å; F557-F620 AromaticContact CG-CD1 3.51Å; F557-F620 HydrophobicContact CG-CD1 3.51Å; F557-F620 HydrophobicContact CG-CD2 4.25Å; F557-F620 AromaticContact CG-CE1 3.84Å; F557-F620 HydrophobicContact CG-CE1 3.84Å; F557-F620 AromaticContact CG-CG 3.75Å; F557-F620 HydrophobicContact CG-CG 3.75Å; F557-F620 HydrophobicContact CG-CZ 4.33Å; F557-F620 HydrophobicContact CZ-CB 3.71Å; F557-F620 HydrophobicContact CZ-CG 4.22Å; F557-L625 HydrophobicContact CD1-CD2 4.19Å; F557-L625 HydrophobicContact CE1-CD2 3.89Å |
| 558 | K | 82.8 | Confident | 85.1 | Confident | 57 Ų | 57 | 44 Ų | 44 | 25% | 0.248 | 23% | 0.226 | C | C | . | . | trans | -144 | 87.2 | 170 | -78.4 | -175.5 | 174.7 | 175.9 | 0 | 108.6 | I554 H555 Q560 L561 E586 F587 | I554-K558 PolarHBondContact O-N 3.28Å; H555-K558 CarbonylContact O-C 3.6Å; K558-Q560 VanDerWaalsContact CA-OE1 3.29Å; K558-Q560 PolarHBondContact O-N 3.32Å; K558-L561 HydrophobicContact CB-CD1 3.74Å; K558-L561 HydrophobicContact CB-CG 3.91Å; K558-L561 HydrophobicContact CD-CD1 3.28Å; K558-L561 HydrophobicContact CD-CG 3.9Å; K558-L561 HydrophobicContact CG-CD1 4.2Å; K558-L561 PolarHBondContact O-N 2.77Å; K558-E586 IonicContact NZ-OE2 3.73Å; K558-E586 PolarHBondContact NZ-OE2 2.79Å; K558-E586 VanDerWaalsContact NZ-OE2 3.07Å; K558-F587 HydrophobicContact CD-CE1 3.76Å; K558-F587 HydrophobicContact CD-CZ 3.88Å; K558-F587 HydrophobicContact CG-CE1 4.45Å; K558-F587 HydrophobicContact CG-CZ 4.44Å | ||
| 559 | P | 84 | Confident | 84.5 | Confident | 55 Ų | 55 | 48.3 Ų | 48.3 | 36% | 0.357 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -62 | -32.8 | -178.5 | 23.7 | -33.5 | 0 | 0 | 0 | 112.5 | H555 L561 I562 | H555-P559 WeakPolarHBondContact CD2-CA 3.34Å; H555-P559 PolarHBondContact CD2-O 2.78Å; H555-P559 WeakPolarHBondContact NE2-CB 3.49Å; H555-P559 VanDerWaalsContact O-CA 3.26Å; H555-P559 WeakPolarHBondContact O-CA 3.31Å; H555-P559 WeakPolarHBondContact O-CD 3.29Å; H555-P559 VanDerWaalsContact O-N 3.07Å; P559-L561 PolarHBondContact O-N 2.58Å; P559-I562 PolarHBondContact O-N 3.19Å; P559-I562 VanDerWaalsContact O-O 3.12Å |
| 560 | Q | 81 | Confident | 83.9 | Confident | 148 Ų | 148 | 56.7 Ų | 56.7 | 69% | 0.692 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -65.4 | 3.5 | 179.9 | 76 | -81.8 | 25 | 0 | 0 | 116.1 | K558 | K558-Q560 VanDerWaalsContact CA-OE1 3.29Å; K558-Q560 PolarHBondContact O-N 3.32Å |
| 561 | L | 83.7 | Confident | 83.5 | Confident | 35 Ų | 35 | 60.5 Ų | 60.5 | 18% | 0.183 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -101.7 | -20.7 | 177.4 | -69.3 | -177.3 | 0 | 0 | 0 | 114.4 | I554 K558 P559 I582 E586 F587 | I554-L561 HydrophobicContact CG2-CB 4.47Å; I554-L561 HydrophobicContact CG2-CD1 4.34Å; K558-L561 HydrophobicContact CB-CD1 3.74Å; K558-L561 HydrophobicContact CB-CG 3.91Å; K558-L561 HydrophobicContact CD-CD1 3.28Å; K558-L561 HydrophobicContact CD-CG 3.9Å; K558-L561 HydrophobicContact CG-CD1 4.2Å; K558-L561 PolarHBondContact O-N 2.77Å; P559-L561 PolarHBondContact O-N 2.58Å; L561-I582 HydrophobicContact CB-CG2 4.22Å; L561-I582 HydrophobicContact CD1-CG2 3.91Å; L561-I582 WeakPolarHBondContact O-CD1 3.36Å; L561-E586 HydrophobicContact CD1-CB 3.83Å; L561-E586 HydrophobicContact CD1-CG 3.62Å; L561-E586 HydrophobicContact CD2-CG 3.86Å; L561-E586 HydrophobicContact CG-CG 4.39Å; L561-F587 HydrophobicContact CD1-CE2 4.43Å; L561-F587 HydrophobicContact CD1-CZ 3.94Å |
| 562 | I | 86.1 | Confident | 83.1 | Confident | 5 Ų | 5 | 64.9 Ų | 64.9 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | trans | -142.1 | 118.6 | -174.3 | -64.5 | -178.6 | 0 | 0 | 0 | 107.4 | C551 I554 H555 P559 F564 L567 I582 | C551-I562 HydrophobicContact CB-CD1 4.04Å; C551-I562 HydrophobicContact CB-CG2 4.34Å; I554-I562 HydrophobicContact CB-CD1 3.79Å; I554-I562 HydrophobicContact CD1-CD1 4.12Å; I554-I562 HydrophobicContact CG2-CD1 3.64Å; I554-I562 HydrophobicContact CG2-CG1 4.22Å; H555-I562 PolarHBondContact CD2-O 2.7Å; P559-I562 PolarHBondContact O-N 3.19Å; P559-I562 VanDerWaalsContact O-O 3.12Å; I562-F564 PolarHBondContact O-N 3.01Å; I562-F564 VanDerWaalsContact O-N 3.15Å; I562-L567 HydrophobicContact CG2-CD1 4.02Å; I562-I582 HydrophobicContact CD1-CD1 3.98Å; I562-I582 HydrophobicContact CG1-CD1 3.51Å | ||
| 563 | D | 84.4 | Confident | 82.6 | Confident | 104 Ų | 104 | 66.6 Ų | 66.6 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | trans | -68.6 | 109.1 | 158.7 | -175.2 | -16.4 | 0 | 0 | 0 | 107.1 | D565 S566 | D563-D565 PolarHBondContact OD1-N 3.18Å; D563-D565 VanDerWaalsContact OD1-N 3.16Å; D563-S566 PolarHBondContact O-OG 3.29Å; D563-S566 PolarHBondContact OD1-N 3.41Å; D563-S566 VanDerWaalsContact OD1-N 3.14Å | ||
| 564 | F | 85.6 | Confident | 82.3 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -83.9 | -31.6 | -176.9 | -172.9 | -85.1 | 0 | 0 | 0 | 112 | Y532 V535 I548 C551 A552 I562 S566 L567 | Y532-F564 AromaticContact CD1-CD1 3.8Å; Y532-F564 HydrophobicContact CD1-CD1 3.8Å; Y532-F564 HydrophobicContact CD1-CD2 4.05Å; Y532-F564 AromaticContact CD1-CE1 3.64Å; Y532-F564 HydrophobicContact CD1-CE1 3.64Å; Y532-F564 AromaticContact CD1-CE2 3.89Å; Y532-F564 HydrophobicContact CD1-CE2 3.89Å; Y532-F564 HydrophobicContact CD1-CG 4.02Å; Y532-F564 AromaticContact CD1-CZ 3.68Å; Y532-F564 HydrophobicContact CD1-CZ 3.68Å; Y532-F564 HydrophobicContact CE1-CD1 4.22Å; Y532-F564 HydrophobicContact CE1-CD2 4.13Å; Y532-F564 HydrophobicContact CE1-CE1 4.47Å; Y532-F564 HydrophobicContact CE1-CE2 4.38Å; Y532-F564 HydrophobicContact CE1-CG 4.06Å; Y532-F564 HydrophobicContact CG-CZ 4.38Å; V535-F564 HydrophobicContact CG2-CZ 4.24Å; I548-F564 HydrophobicContact CG2-CE2 3.77Å; I548-F564 HydrophobicContact CG2-CZ 3.59Å; C551-F564 HydrophobicContact CB-CD2 4.29Å; C551-F564 HydrophobicContact CB-CE2 4.28Å; A552-F564 HydrophobicContact CB-CD2 4.37Å; A552-F564 HydrophobicContact CB-CE2 3.64Å; A552-F564 HydrophobicContact CB-CZ 4.18Å; I562-F564 PolarHBondContact O-N 3.01Å; I562-F564 VanDerWaalsContact O-N 3.15Å; F564-S566 PolarHBondContact O-N 2.88Å; F564-L567 HydrophobicContact CD2-CD1 3.76Å; F564-L567 HydrophobicContact CE2-CD1 4.06Å; F564-L567 HydrophobicContact CG-CD1 4.35Å; F564-L567 PolarHBondContact O-N 3.01Å |
| 565 | D | 81.4 | Confident | 82.2 | Confident | 119 Ų | 119 | 69.7 Ų | 69.7 | 64% | 0.636 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -16.4 | -179.8 | -81.2 | -66.9 | 0 | 0 | 0 | 112 | R533 D563 | R533-D565 IonicContact CZ-OD1 3.15Å; R533-D565 IonicContact NH1-OD1 2.61Å; R533-D565 PolarHBondContact NH1-OD1 2.88Å; R533-D565 IonicContact NH2-OD1 2.67Å; D563-D565 PolarHBondContact OD1-N 3.18Å; D563-D565 VanDerWaalsContact OD1-N 3.16Å |
| 566 | S | 82.2 | Confident | 82 | Confident | 76 Ų | 76 | 67.5 Ų | 67.5 | 53% | 0.531 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 1.7 | 171.9 | 79.3 | 0 | 0 | 0 | 0 | 115.5 | D563 F564 | D563-S566 PolarHBondContact O-OG 3.29Å; D563-S566 PolarHBondContact OD1-N 3.41Å; D563-S566 VanDerWaalsContact OD1-N 3.14Å; F564-S566 PolarHBondContact O-N 2.88Å |
| 567 | L | 83.4 | Confident | 81.9 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 15% | 0.152 | 35% | 0.354 | C | S | . | . | trans | -87.1 | 117.9 | -175 | -60.7 | 178.2 | 0 | 0 | 0 | 112.4 | C551 I562 F564 | C551-L567 HydrophobicContact CB-CD1 3.54Å; I562-L567 HydrophobicContact CG2-CD1 4.02Å; F564-L567 HydrophobicContact CD2-CD1 3.76Å; F564-L567 HydrophobicContact CE2-CD1 4.06Å; F564-L567 HydrophobicContact CG-CD1 4.35Å; F564-L567 PolarHBondContact O-N 3.01Å | ||
| 568 | N | 77.5 | Confident | 82.1 | Confident | 101 Ų | 101 | 69.2 Ų | 69.2 | 54% | 0.54 | 37% | 0.366 | S | S | . | . | trans | -71.6 | 145.2 | 171.2 | -71.9 | -22.7 | 0 | 0 | 0 | 111.5 | D571 N575 | N568-D571 HydrophobicContact CB-CB 4.22Å; N568-D571 WeakPolarHBondContact CB-OD2 3.49Å; N568-D571 PolarHBondContact ND2-OD2 2.95Å; N568-N575 PolarHBondContact O-ND2 3.34Å | ||
| 569 | E | 74.4 | Confident | 82.3 | Confident | 101 Ų | 101 | 66.5 Ų | 66.5 | 47% | 0.472 | 36% | 0.355 | S | S | . | . | S | Bend | trans | -71.7 | -41.4 | 178 | -64.7 | -170.7 | 79.3 | 0 | 0 | 113.2 | N534 I548 D571 H572 | N534-E569 HydrophobicContact CB-CG 4.4Å; N534-E569 VanDerWaalsContact CB-OE1 3.25Å; N534-E569 WeakPolarHBondContact CB-OE1 3.45Å; N534-E569 VanDerWaalsContact CG-OE1 3.3Å; N534-E569 PolarHBondContact ND2-OE1 3.21Å; N534-E569 PolarHBondContact ND2-OE2 3.5Å; I548-E569 HydrophobicContact CD1-CB 4.24Å; I548-E569 HydrophobicContact CD1-CG 4.13Å; E569-D571 PolarHBondContact O-N 3.05Å; E569-H572 PolarHBondContact O-CE1 2.92Å; E569-H572 PolarHBondContact O-ND1 3.46Å |
| 570 | E | 74.3 | Confident | 82.5 | Confident | 178 Ų | 178 | 64 Ų | 64 | 83% | 0.832 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -76.2 | -21 | -170.7 | -56.8 | -168.7 | 163.8 | 0 | 0 | 113.4 | H572 | E570-H572 PolarHBondContact O-N 3.1Š|
| 571 | D | 81.2 | Confident | 82.7 | Confident | 81 Ų | 81 | 61 Ų | 61 | 43% | 0.433 | 33% | 0.327 | S | S | . | . | trans | -78.1 | 45.6 | -179.1 | -71.4 | -53.6 | 0 | 0 | 0 | 113.1 | N568 E569 A573 A574 N575 | N568-D571 HydrophobicContact CB-CB 4.22Å; N568-D571 WeakPolarHBondContact CB-OD2 3.49Å; N568-D571 PolarHBondContact ND2-OD2 2.95Å; E569-D571 PolarHBondContact O-N 3.05Å; D571-A573 VanDerWaalsContact C-N 3.3Å; D571-A573 PolarHBondContact O-N 2.58Å; D571-A573 VanDerWaalsContact O-N 3.14Å; D571-A574 HydrophobicContact CB-CB 4.29Å; D571-A574 PolarHBondContact O-N 3.38Å; D571-N575 PolarHBondContact O-N 2.88Å; D571-N575 PolarHBondContact O-ND2 2.76Å | ||
| 572 | H | 79.2 | Confident | 82.9 | Confident | 93 Ų | 93 | 60 Ų | 60 | 43% | 0.431 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -48.1 | -46.8 | -172 | -61.9 | -10 | 0 | 0 | 0 | 113.6 | E569 E570 L576 | E569-H572 PolarHBondContact O-CE1 2.92Å; E569-H572 PolarHBondContact O-ND1 3.46Å; E570-H572 PolarHBondContact O-N 3.1Å; H572-L576 WeakPolarHBondContact O-CB 3.49Å; H572-L576 PolarHBondContact O-N 3.32Å |
| 573 | A | 78.9 | Confident | 82.9 | Confident | 35 Ų | 35 | 59.7 Ų | 59.7 | 29% | 0.289 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.8 | -35.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | D571 Q577 | D571-A573 VanDerWaalsContact C-N 3.3Å; D571-A573 PolarHBondContact O-N 2.58Å; D571-A573 VanDerWaalsContact O-N 3.14Å; A573-Q577 VanDerWaalsContact O-CB 3.31Å; A573-Q577 WeakPolarHBondContact O-CB 3.41Å; A573-Q577 PolarHBondContact O-N 2.89Å |
| 574 | A | 81.4 | Confident | 83 | Confident | 59 Ų | 59 | 57.7 Ų | 57.7 | 49% | 0.488 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.6 | -47.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | D571 L576 Q577 Q578 | D571-A574 HydrophobicContact CB-CB 4.29Å; D571-A574 PolarHBondContact O-N 3.38Å; A574-L576 VanDerWaalsContact C-N 3.27Å; A574-L576 PolarHBondContact O-N 3.25Å; A574-Q577 PolarHBondContact O-N 3.12Å; A574-Q578 WeakPolarHBondContact O-CB 3.37Å; A574-Q578 PolarHBondContact O-N 2.93Å |
| 575 | N | 86.4 | Confident | 83 | Confident | 6 Ų | 6 | 65 Ų | 65 | 3% | 0.032 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -54.8 | -44.6 | 174.7 | -68.2 | -26.8 | 0 | 0 | 0 | 111.7 | N568 D571 A579 | N568-N575 PolarHBondContact O-ND2 3.34Å; D571-N575 PolarHBondContact O-N 2.88Å; D571-N575 PolarHBondContact O-ND2 2.76Å; N575-A579 WeakPolarHBondContact O-CB 3.4Å; N575-A579 PolarHBondContact O-N 3.25Å |
| 576 | L | 85.5 | Confident | 83 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70.5 | -39.8 | -178.1 | -175.3 | 55.8 | 0 | 0 | 0 | 112.5 | L550 H572 A574 F580 A595 L598 | L550-L576 HydrophobicContact CD1-CD1 3.74Å; H572-L576 WeakPolarHBondContact O-CB 3.49Å; H572-L576 PolarHBondContact O-N 3.32Å; A574-L576 VanDerWaalsContact C-N 3.27Å; A574-L576 PolarHBondContact O-N 3.25Å; L576-F580 HydrophobicContact CD1-CD2 4.5Å; L576-F580 HydrophobicContact CD1-CE1 3.99Å; L576-F580 HydrophobicContact CD1-CE2 3.91Å; L576-F580 HydrophobicContact CD1-CZ 3.63Å; L576-F580 HydrophobicContact CG-CD2 4.43Å; L576-F580 HydrophobicContact CG-CE2 3.96Å; L576-F580 HydrophobicContact CG-CZ 4.19Å; L576-F580 WeakPolarHBondContact O-CG 3.31Å; L576-F580 PolarHBondContact O-N 2.92Å; L576-A595 HydrophobicContact CB-CB 4.23Å; L576-A595 HydrophobicContact CD2-CB 4.4Å; L576-A595 HydrophobicContact CG-CB 4.07Å; L576-L598 HydrophobicContact CD1-CD1 4.41Å; L576-L598 HydrophobicContact CD2-CB 3.58Å; L576-L598 HydrophobicContact CD2-CD1 3.79Å; L576-L598 HydrophobicContact CD2-CG 4.33Å; L576-L598 HydrophobicContact CG-CD1 4.43Å |
| 577 | Q | 84.9 | Confident | 83 | Confident | 70 Ų | 70 | 60.2 Ų | 60.2 | 33% | 0.327 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -47.1 | 174.3 | -172.2 | 57.4 | 47.2 | 0 | 0 | 111.2 | A573 A574 A579 F580 D581 A595 | A573-Q577 VanDerWaalsContact O-CB 3.31Å; A573-Q577 WeakPolarHBondContact O-CB 3.41Å; A573-Q577 PolarHBondContact O-N 2.89Å; A574-Q577 PolarHBondContact O-N 3.12Å; Q577-A579 VanDerWaalsContact C-N 3.32Å; Q577-A579 PolarHBondContact O-N 3.31Å; Q577-F580 PolarHBondContact O-N 2.99Å; Q577-F580 VanDerWaalsContact O-N 3.1Å; Q577-D581 PolarHBondContact NE2-OD1 3.23Å; Q577-D581 PolarHBondContact NE2-OD2 3.15Å; Q577-D581 PolarHBondContact O-N 3.38Å; Q577-A595 HydrophobicContact CB-CB 3.7Å; Q577-A595 HydrophobicContact CG-CB 4.46Å; Q577-A595 VanDerWaalsContact OE1-CB 3.27Å |
| 578 | Q | 85.7 | Confident | 82.8 | Confident | 75 Ų | 75 | 61.5 Ų | 61.5 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -57 | -44.6 | 175.2 | -179.6 | 178.9 | -2.3 | 0 | 0 | 111.6 | A574 F580 I582 | A574-Q578 WeakPolarHBondContact O-CB 3.37Å; A574-Q578 PolarHBondContact O-N 2.93Å; Q578-F580 PolarHBondContact O-N 3.41Å; Q578-I582 HydrophobicContact CG-CD1 3.8Å; Q578-I582 WeakPolarHBondContact O-CB 3.04Å; Q578-I582 WeakPolarHBondContact O-CD1 3.46Å; Q578-I582 VanDerWaalsContact O-CG1 3.23Å; Q578-I582 WeakPolarHBondContact O-CG1 3.43Å; Q578-I582 PolarHBondContact O-N 2.93Å; Q578-I582 VanDerWaalsContact O-N 3.12Å |
| 579 | A | 87.4 | Confident | 83.2 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L550 I554 N575 Q577 S583 | L550-A579 HydrophobicContact CB-CB 3.7Å; L550-A579 HydrophobicContact CD1-CB 4.26Å; I554-A579 HydrophobicContact CD1-CB 4.23Å; N575-A579 WeakPolarHBondContact O-CB 3.4Å; N575-A579 PolarHBondContact O-N 3.25Å; Q577-A579 VanDerWaalsContact C-N 3.32Å; Q577-A579 PolarHBondContact O-N 3.31Å; A579-S583 VanDerWaalsContact O-CB 3.25Å; A579-S583 WeakPolarHBondContact O-CB 3.45Å; A579-S583 PolarHBondContact O-N 3.47Å; A579-S583 PolarHBondContact O-OG 2.64Å |
| 580 | F | 88.6 | Confident | 83.5 | Confident | 2 Ų | 2 | 60.8 Ų | 60.8 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -42.6 | -179.6 | -71.7 | -21.8 | 0 | 0 | 0 | 113.8 | L550 L576 Q577 Q578 S583 D584 P591 A595 L598 Y612 | L550-F580 HydrophobicContact CD1-CD1 4.27Å; L550-F580 HydrophobicContact CD1-CE1 3.79Å; L576-F580 HydrophobicContact CD1-CD2 4.5Å; L576-F580 HydrophobicContact CD1-CE1 3.99Å; L576-F580 HydrophobicContact CD1-CE2 3.91Å; L576-F580 HydrophobicContact CD1-CZ 3.63Å; L576-F580 HydrophobicContact CG-CD2 4.43Å; L576-F580 HydrophobicContact CG-CE2 3.96Å; L576-F580 HydrophobicContact CG-CZ 4.19Å; L576-F580 WeakPolarHBondContact O-CG 3.31Å; L576-F580 PolarHBondContact O-N 2.92Å; Q577-F580 PolarHBondContact O-N 2.99Å; Q577-F580 VanDerWaalsContact O-N 3.1Å; Q578-F580 PolarHBondContact O-N 3.41Å; F580-S583 WeakPolarHBondContact O-CB 3.34Å; F580-S583 PolarHBondContact O-N 3.29Å; F580-S583 VanDerWaalsContact O-N 3.1Å; F580-D584 PolarHBondContact O-N 2.92Å; F580-P591 HydrophobicContact CB-CB 3.99Å; F580-P591 HydrophobicContact CB-CG 4.2Å; F580-P591 HydrophobicContact CD1-CB 4.03Å; F580-P591 HydrophobicContact CD2-CB 3.83Å; F580-P591 HydrophobicContact CE1-CB 4.43Å; F580-P591 HydrophobicContact CE2-CB 4.25Å; F580-P591 HydrophobicContact CG-CB 3.7Å; F580-P591 HydrophobicContact CG-CG 4.44Å; F580-A595 HydrophobicContact CD2-CB 4.47Å; F580-L598 HydrophobicContact CE2-CD1 3.88Å; F580-L598 HydrophobicContact CZ-CD1 3.71Å; F580-Y612 HydrophobicContact CD1-CE1 4.12Å; F580-Y612 AromaticContact CD1-CZ 3.93Å; F580-Y612 AromaticContact CE1-CE1 3.83Å; F580-Y612 HydrophobicContact CE1-CE1 3.83Å; F580-Y612 AromaticContact CE1-CZ 3.99Å |
| 581 | D | 85.4 | Confident | 83.6 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 46% | 0.46 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -66.5 | -41 | -179.5 | -70.2 | -32.7 | 0 | 0 | 0 | 111.6 | Q577 S583 R585 | Q577-D581 PolarHBondContact NE2-OD1 3.23Å; Q577-D581 PolarHBondContact NE2-OD2 3.15Å; Q577-D581 PolarHBondContact O-N 3.38Å; D581-S583 VanDerWaalsContact C-N 3.3Å; D581-S583 PolarHBondContact O-N 3.18Å; D581-R585 VanDerWaalsContact O-CB 3.27Å; D581-R585 WeakPolarHBondContact O-CB 3.47Å; D581-R585 PolarHBondContact O-N 3.48Å; D581-R585 VanDerWaalsContact O-N 3.07Å |
| 582 | I | 86.9 | Confident | 83.2 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.1 | -38.5 | 171.2 | -66.9 | 171.9 | 0 | 0 | 0 | 110.1 | I554 L561 I562 Q578 R585 E586 | I554-I582 HydrophobicContact CG2-CG2 4.04Å; L561-I582 HydrophobicContact CB-CG2 4.22Å; L561-I582 HydrophobicContact CD1-CG2 3.91Å; L561-I582 WeakPolarHBondContact O-CD1 3.36Å; I562-I582 HydrophobicContact CD1-CD1 3.98Å; I562-I582 HydrophobicContact CG1-CD1 3.51Å; Q578-I582 HydrophobicContact CG-CD1 3.8Å; Q578-I582 WeakPolarHBondContact O-CB 3.04Å; Q578-I582 WeakPolarHBondContact O-CD1 3.46Å; Q578-I582 VanDerWaalsContact O-CG1 3.23Å; Q578-I582 WeakPolarHBondContact O-CG1 3.43Å; Q578-I582 PolarHBondContact O-N 2.93Å; Q578-I582 VanDerWaalsContact O-N 3.12Å; I582-R585 PolarHBondContact O-N 3.49Å; I582-E586 HydrophobicContact CG2-CB 4.4Å; I582-E586 HydrophobicContact CG2-CG 3.95Å; I582-E586 WeakPolarHBondContact O-CB 3.48Å; I582-E586 WeakPolarHBondContact O-CG 3.43Å; I582-E586 PolarHBondContact O-N 3.21Å |
| 583 | S | 85.9 | Confident | 82.8 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.1 | -39.1 | -178.4 | -62.4 | 0 | 0 | 0 | 0 | 114 | A579 F580 D581 F587 G588 I589 Y612 F616 | A579-S583 VanDerWaalsContact O-CB 3.25Å; A579-S583 WeakPolarHBondContact O-CB 3.45Å; A579-S583 PolarHBondContact O-N 3.47Å; A579-S583 PolarHBondContact O-OG 2.64Å; F580-S583 WeakPolarHBondContact O-CB 3.34Å; F580-S583 PolarHBondContact O-N 3.29Å; F580-S583 VanDerWaalsContact O-N 3.1Å; D581-S583 VanDerWaalsContact C-N 3.3Å; D581-S583 PolarHBondContact O-N 3.18Å; S583-F587 CarbonylContact O-C 3.57Å; S583-F587 WeakPolarHBondContact O-CB 3.44Å; S583-F587 PolarHBondContact O-N 3.32Å; S583-G588 PolarHBondContact O-N 3.36Å; S583-I589 PolarHBondContact O-N 3.2Å; S583-Y612 WeakPolarHBondContact CB-OH 3.5Å; S583-F616 WeakPolarHBondContact OG-CZ 3.46Å |
| 584 | D | 86.9 | Confident | 82.4 | Confident | 61 Ų | 61 | 51.6 Ų | 51.6 | 33% | 0.326 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74.6 | -44.1 | 174.9 | -158.2 | 24.1 | 0 | 0 | 0 | 111 | F580 G588 R590 | F580-D584 PolarHBondContact O-N 2.92Å; D584-G588 WeakPolarHBondContact O-CA 3.48Å; D584-G588 PolarHBondContact O-N 3.49Å; D584-R590 WeakPolarHBondContact OD1-CA 3.46Å; D584-R590 WeakPolarHBondContact OD1-CG 3.49Å; D584-R590 PolarHBondContact OD1-N 2.91Å; D584-R590 WeakPolarHBondContact OD2-CG 3.43Å |
| 585 | R | 85.3 | Confident | 81.5 | Confident | 174 Ų | 174 | 48.9 Ų | 48.9 | 66% | 0.657 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -67.2 | -44.7 | -177.8 | -166.4 | -175 | 75.5 | -145 | 1.2 | 113.8 | D581 I582 | D581-R585 VanDerWaalsContact O-CB 3.27Å; D581-R585 WeakPolarHBondContact O-CB 3.47Å; D581-R585 PolarHBondContact O-N 3.48Å; D581-R585 VanDerWaalsContact O-N 3.07Å; I582-R585 PolarHBondContact O-N 3.49Å |
| 586 | E | 82.1 | Confident | 80.2 | Confident | 61 Ų | 61 | 54.7 Ų | 54.7 | 29% | 0.285 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -96.7 | -18.1 | -168.5 | -61.5 | -69.6 | 150 | 0 | 0 | 114.1 | K558 L561 I582 | K558-E586 IonicContact NZ-OE2 3.73Å; K558-E586 PolarHBondContact NZ-OE2 2.79Å; K558-E586 VanDerWaalsContact NZ-OE2 3.07Å; L561-E586 HydrophobicContact CD1-CB 3.83Å; L561-E586 HydrophobicContact CD1-CG 3.62Å; L561-E586 HydrophobicContact CD2-CG 3.86Å; L561-E586 HydrophobicContact CG-CG 4.39Å; I582-E586 HydrophobicContact CG2-CB 4.4Å; I582-E586 HydrophobicContact CG2-CG 3.95Å; I582-E586 WeakPolarHBondContact O-CB 3.48Å; I582-E586 WeakPolarHBondContact O-CG 3.43Å; I582-E586 PolarHBondContact O-N 3.21Å |
| 587 | F | 81.8 | Confident | 79 | Confident | 35 Ų | 35 | 58.8 Ų | 58.8 | 15% | 0.154 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -134.4 | -5.6 | -175.2 | -50.2 | -56.1 | 0 | 0 | 0 | 113.9 | I554 K558 L561 S583 I589 F616 L619 F620 | I554-F587 HydrophobicContact CG1-CE2 4.24Å; I554-F587 HydrophobicContact CG2-CE2 4.01Å; I554-F587 HydrophobicContact CG2-CZ 4.35Å; K558-F587 HydrophobicContact CD-CE1 3.76Å; K558-F587 HydrophobicContact CD-CZ 3.88Å; K558-F587 HydrophobicContact CG-CE1 4.45Å; K558-F587 HydrophobicContact CG-CZ 4.44Å; L561-F587 HydrophobicContact CD1-CE2 4.43Å; L561-F587 HydrophobicContact CD1-CZ 3.94Å; S583-F587 CarbonylContact O-C 3.57Å; S583-F587 WeakPolarHBondContact O-CB 3.44Å; S583-F587 PolarHBondContact O-N 3.32Å; F587-I589 HydrophobicContact CB-CD1 3.83Å; F587-I589 HydrophobicContact CB-CG1 3.74Å; F587-I589 PolarHBondContact O-N 3.06Å; F587-F616 HydrophobicContact CD2-CE1 4.25Å; F587-L619 HydrophobicContact CB-CD2 3.82Å; F587-L619 HydrophobicContact CD1-CD2 3.88Å; F587-L619 HydrophobicContact CG-CD2 4.02Å; F587-F620 AromaticContact CD1-CZ 3.98Å; F587-F620 HydrophobicContact CD1-CZ 3.98Å; F587-F620 HydrophobicContact CE1-CE1 4.35Å; F587-F620 AromaticContact CE1-CZ 3.62Å; F587-F620 HydrophobicContact CE1-CZ 3.62Å; F587-F620 HydrophobicContact CE2-CZ 4.42Å; F587-F620 AromaticContact CZ-CZ 3.87Å; F587-F620 HydrophobicContact CZ-CZ 3.87Å |
| 588 | G | 79.9 | Confident | 77.9 | Confident | 56 Ų | 56 | 56.6 Ų | 56.6 | 58% | 0.577 | 29% | 0.288 | S | S | * | . | trans | 69.1 | 17.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | S583 D584 R590 | S583-G588 PolarHBondContact O-N 3.36Å; D584-G588 WeakPolarHBondContact O-CA 3.48Å; D584-G588 PolarHBondContact O-N 3.49Å; G588-R590 PolarHBondContact O-N 2.85Å | ||
| 589 | I | 86.1 | Confident | 76.4 | Confident | 8 Ų | 8 | 56.6 Ų | 56.6 | 4% | 0.041 | 30% | 0.296 | C | S | . | . | trans | -93.6 | 71.9 | -174 | -51.8 | -179.2 | 0 | 0 | 0 | 109.8 | S583 F587 Y612 K615 F616 L619 | S583-I589 PolarHBondContact O-N 3.2Å; F587-I589 HydrophobicContact CB-CD1 3.83Å; F587-I589 HydrophobicContact CB-CG1 3.74Å; F587-I589 PolarHBondContact O-N 3.06Å; I589-Y612 HydrophobicContact CG2-CD2 4.04Å; I589-Y612 HydrophobicContact CG2-CE2 3.53Å; I589-Y612 WeakPolarHBondContact O-CE2 3.23Å; I589-Y612 PolarHBondContact O-OH 3.26Å; I589-K615 HydrophobicContact CD1-CB 4.11Å; I589-K615 HydrophobicContact CG1-CB 4.38Å; I589-K615 HydrophobicContact CG2-CB 3.9Å; I589-K615 HydrophobicContact CG2-CD 3.62Å; I589-K615 HydrophobicContact CG2-CG 4.43Å; I589-F616 HydrophobicContact CB-CE2 4.34Å; I589-F616 HydrophobicContact CD1-CD1 4.23Å; I589-F616 HydrophobicContact CD1-CD2 3.87Å; I589-F616 HydrophobicContact CD1-CE1 4.1Å; I589-F616 HydrophobicContact CD1-CE2 3.75Å; I589-F616 HydrophobicContact CD1-CG 4.09Å; I589-F616 HydrophobicContact CD1-CZ 3.85Å; I589-F616 HydrophobicContact CG2-CD2 4.33Å; I589-F616 HydrophobicContact CG2-CE2 3.79Å; I589-F616 HydrophobicContact CG2-CZ 4.46Å; I589-L619 HydrophobicContact CD1-CD2 4.17Å | ||
| 590 | R | 79.6 | Confident | 74.9 | Confident | 178 Ų | 178 | 59 Ų | 59 | 67% | 0.672 | 32% | 0.316 | S | S | * | . | trans | -42.4 | 126.8 | 174 | -74.6 | -173.5 | 177 | -177.5 | 0.9 | 112.6 | D584 G588 Y612 | D584-R590 WeakPolarHBondContact OD1-CA 3.46Å; D584-R590 WeakPolarHBondContact OD1-CG 3.49Å; D584-R590 PolarHBondContact OD1-N 2.91Å; D584-R590 WeakPolarHBondContact OD2-CG 3.43Å; G588-R590 PolarHBondContact O-N 2.85Å; R590-Y612 WeakPolarHBondContact O-CE2 3.48Å | ||
| 591 | P | 76.9 | Confident | 73.3 | Confident | 49 Ų | 49 | 65.8 Ų | 65.8 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | trans | -62.3 | 155.4 | 172.8 | 29.2 | -35.7 | 0 | 0 | 0 | 110.9 | F580 | F580-P591 HydrophobicContact CB-CB 3.99Å; F580-P591 HydrophobicContact CB-CG 4.2Å; F580-P591 HydrophobicContact CD1-CB 4.03Å; F580-P591 HydrophobicContact CD2-CB 3.83Å; F580-P591 HydrophobicContact CE1-CB 4.43Å; F580-P591 HydrophobicContact CE2-CB 4.25Å; F580-P591 HydrophobicContact CG-CB 3.7Å; F580-P591 HydrophobicContact CG-CG 4.44Å | ||
| 592 | F | 73.4 | Confident | 71.9 | Confident | 59 Ų | 59 | 69.3 Ų | 69.3 | 26% | 0.259 | 37% | 0.366 | S | S | . | . | S | Bend | trans | -99.8 | 1.2 | -177.3 | 66 | -90.5 | 0 | 0 | 0 | 113.5 | L604 R608 M609 Y612 | F592-L604 HydrophobicContact CE2-CD2 4.37Å; F592-L604 HydrophobicContact CZ-CD2 4.14Å; F592-R608 HydrophobicContact CD2-CB 3.59Å; F592-R608 HydrophobicContact CD2-CG 4.2Å; F592-R608 HydrophobicContact CE2-CB 3.72Å; F592-R608 HydrophobicContact CG-CB 4.05Å; F592-R608 HydrophobicContact CZ-CB 4.29Å; F592-M609 HydrophobicContact CE1-CG 4.42Å; F592-M609 HydrophobicContact CE1-SD 3.57Å; F592-M609 VanDerWaalsContact CE1-SD 3.57Å; F592-M609 HydrophobicContact CZ-CG 3.93Å; F592-M609 HydrophobicContact CZ-SD 3.45Å; F592-M609 WeakPolarHBondContact CZ-SD 3.25Å; F592-Y612 AromaticContact CD1-CD2 3.87Å; F592-Y612 HydrophobicContact CD1-CD2 3.87Å; F592-Y612 AromaticContact CD1-CG 3.88Å; F592-Y612 HydrophobicContact CD1-CG 3.88Å; F592-Y612 HydrophobicContact CE1-CD2 4.48Å; F592-Y612 HydrophobicContact CE1-CG 4.08Å |
| 593 | T | 69.9 | Low | 70.4 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 25% | 0.252 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -168.5 | 164.7 | -172.9 | -169 | 0 | 0 | 0 | 0 | 108.4 | D597 L598 | T593-D597 WeakPolarHBondContact OG1-CB 3.37Å; T593-D597 PolarHBondContact OG1-OD2 2.9Å; T593-L598 HydrophobicContact CG2-CD1 3.44Å; T593-L598 VanDerWaalsContact CG2-CD1 3.44Å; T593-L598 HydrophobicContact CG2-CD2 3.87Å; T593-L598 HydrophobicContact CG2-CG 3.5Å |
| 594 | S | 70.7 | Confident | 69.3 | Low | 45 Ų | 45 | 78.4 Ų | 78.4 | 32% | 0.315 | 41% | 0.409 | S | S | . | . | trans | -80.7 | 162.1 | 170.7 | 81.8 | 0 | 0 | 0 | 0 | 111.6 | L596 D597 | S594-L596 VanDerWaalsContact C-N 3.26Å; S594-L596 PolarHBondContact O-N 3.11Å; S594-L596 PolarHBondContact OG-N 3.03Å; S594-D597 VanDerWaalsContact CB-OD2 3.23Å; S594-D597 WeakPolarHBondContact CB-OD2 3.24Å; S594-D597 PolarHBondContact N-OD2 2.93Å; S594-D597 PolarHBondContact OG-N 2.85Å; S594-D597 PolarHBondContact OG-OD2 3Å | ||
| 595 | A | 61.8 | Low | 68.4 | Low | 3 Ų | 3 | 78.3 Ų | 78.3 | 3% | 0.025 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -25.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113 | L576 Q577 F580 L598 S599 | L576-A595 HydrophobicContact CB-CB 4.23Å; L576-A595 HydrophobicContact CD2-CB 4.4Å; L576-A595 HydrophobicContact CG-CB 4.07Å; Q577-A595 HydrophobicContact CB-CB 3.7Å; Q577-A595 HydrophobicContact CG-CB 4.46Å; Q577-A595 VanDerWaalsContact OE1-CB 3.27Å; F580-A595 HydrophobicContact CD2-CB 4.47Å; A595-L598 PolarHBondContact O-N 2.72Å; A595-S599 PolarHBondContact O-N 2.84Å |
| 596 | L | 59.5 | Low | 68 | Low | 127 Ų | 127 | 75.7 Ų | 75.7 | 67% | 0.665 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -46.2 | 175.9 | -68 | 169.9 | 0 | 0 | 0 | 110.8 | S594 L598 S599 A600 | S594-L596 VanDerWaalsContact C-N 3.26Å; S594-L596 PolarHBondContact O-N 3.11Å; S594-L596 PolarHBondContact OG-N 3.03Å; L596-L598 PolarHBondContact O-N 2.83Å; L596-S599 PolarHBondContact O-N 2.84Å; L596-S599 PolarHBondContact O-OG 3.29Å; L596-A600 PolarHBondContact O-N 3.47Å |
| 597 | D | 60.9 | Low | 67.8 | Low | 92 Ų | 92 | 77.7 Ų | 77.7 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -29.2 | 178.7 | -51.6 | -49.4 | 0 | 0 | 0 | 112.4 | T593 S594 | T593-D597 WeakPolarHBondContact OG1-CB 3.37Å; T593-D597 PolarHBondContact OG1-OD2 2.9Å; S594-D597 VanDerWaalsContact CB-OD2 3.23Å; S594-D597 WeakPolarHBondContact CB-OD2 3.24Å; S594-D597 PolarHBondContact N-OD2 2.93Å; S594-D597 PolarHBondContact OG-N 2.85Å; S594-D597 PolarHBondContact OG-OD2 3Å |
| 598 | L | 60.6 | Low | 67.7 | Low | 23 Ų | 23 | 82.5 Ų | 82.5 | 12% | 0.12 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.3 | 177.9 | -68.8 | -177.7 | 0 | 0 | 0 | 114.8 | L576 F580 T593 A595 L596 L604 | L576-L598 HydrophobicContact CD1-CD1 4.41Å; L576-L598 HydrophobicContact CD2-CB 3.58Å; L576-L598 HydrophobicContact CD2-CD1 3.79Å; L576-L598 HydrophobicContact CD2-CG 4.33Å; L576-L598 HydrophobicContact CG-CD1 4.43Å; F580-L598 HydrophobicContact CE2-CD1 3.88Å; F580-L598 HydrophobicContact CZ-CD1 3.71Å; T593-L598 HydrophobicContact CG2-CD1 3.44Å; T593-L598 VanDerWaalsContact CG2-CD1 3.44Å; T593-L598 HydrophobicContact CG2-CD2 3.87Å; T593-L598 HydrophobicContact CG2-CG 3.5Å; A595-L598 PolarHBondContact O-N 2.72Å; L596-L598 PolarHBondContact O-N 2.83Å; L598-L604 HydrophobicContact CD2-CD1 4.25Å; L598-L604 HydrophobicContact CD2-CD2 3.44Å; L598-L604 VanDerWaalsContact CD2-CD2 3.44Å; L598-L604 HydrophobicContact CD2-CG 3.74Å |
| 599 | S | 54.9 | Low | 67.8 | Low | 75 Ų | 75 | 80 Ų | 80 | 52% | 0.524 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -18.5 | 171.8 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | A595 L596 | A595-S599 PolarHBondContact O-N 2.84Å; L596-S599 PolarHBondContact O-N 2.84Å; L596-S599 PolarHBondContact O-OG 3.29Å |
| 600 | A | 55.7 | Low | 67.7 | Low | 52 Ų | 52 | 81 Ų | 81 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -74 | 150.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L596 E602 | L596-A600 PolarHBondContact O-N 3.47Å; A600-E602 PolarHBondContact O-N 3.37Å |
| 601 | D | 54.1 | Low | 67.8 | Low | 143 Ų | 143 | 75.1 Ų | 75.1 | 77% | 0.765 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -80.9 | 28 | -166.3 | -150.4 | 8 | 0 | 0 | 0 | 114.9 | R545 | R545-D601 IonicContact CZ-OD1 2.65Å; R545-D601 IonicContact NH1-OD1 2.74Å; R545-D601 PolarHBondContact NH1-OD1 3.2Å; R545-D601 IonicContact NH2-OD1 3.97Å; R545-D601 PolarHBondContact NH2-OD1 3.47Å |
| 602 | E | 56.9 | Low | 68.2 | Low | 160 Ų | 160 | 73 Ų | 73 | 75% | 0.748 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -73.6 | 142.5 | 175.3 | -68.3 | -156.9 | 150.3 | 0 | 0 | 112.1 | R545 A600 L604 | R545-E602 PolarHBondContact NH2-O 2.68Å; A600-E602 PolarHBondContact O-N 3.37Å; E602-L604 PolarHBondContact O-N 2.95Å |
| 603 | E | 56 | Low | 68.9 | Low | 188 Ų | 188 | 70.1 Ų | 70.1 | 88% | 0.879 | 38% | 0.377 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 117.2 | -177.8 | -166 | 175.5 | -161.8 | 0 | 0 | 110.9 | D605 | E603-D605 PolarHBondContact O-N 2.93Š|
| 604 | L | 61.8 | Low | 69.6 | Low | 17 Ų | 17 | 69.1 Ų | 69.1 | 9% | 0.089 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -62 | 120.8 | -170.2 | -124.6 | 179.8 | 0 | 0 | 0 | 111.4 | R545 F592 L598 E602 K606 M609 | R545-L604 HydrophobicContact CG-CD1 4.01Å; F592-L604 HydrophobicContact CE2-CD2 4.37Å; F592-L604 HydrophobicContact CZ-CD2 4.14Å; L598-L604 HydrophobicContact CD2-CD1 4.25Å; L598-L604 HydrophobicContact CD2-CD2 3.44Å; L598-L604 VanDerWaalsContact CD2-CD2 3.44Å; L598-L604 HydrophobicContact CD2-CG 3.74Å; E602-L604 PolarHBondContact O-N 2.95Å; L604-K606 PolarHBondContact O-N 3.08Å; L604-M609 HydrophobicContact CD1-CE 4.33Å; L604-M609 HydrophobicContact CD1-CG 4.13Å; L604-M609 HydrophobicContact CD1-SD 4.41Å; L604-M609 HydrophobicContact CD2-CG 3.54Å; L604-M609 HydrophobicContact CD2-SD 4.17Å; L604-M609 HydrophobicContact CG-CG 4.37Å |
| 605 | D | 68.9 | Low | 70.2 | Confident | 58 Ų | 58 | 71.9 Ų | 71.9 | 31% | 0.31 | 38% | 0.377 | S | S | . | . | trans | -61.2 | 97.1 | 177.3 | -177.7 | -7.6 | 0 | 0 | 0 | 110.5 | E603 T607 R608 M609 | E603-D605 PolarHBondContact O-N 2.93Å; D605-T607 PolarHBondContact O-N 3.13Å; D605-T607 WeakPolarHBondContact OD1-CA 3.39Å; D605-T607 WeakPolarHBondContact OD1-CB 3.48Å; D605-T607 PolarHBondContact OD1-N 3.35Å; D605-T607 PolarHBondContact OD1-OG1 3.47Å; D605-R608 HydrophobicContact CB-CB 4.34Å; D605-R608 HydrophobicContact CB-CG 4.08Å; D605-R608 WeakPolarHBondContact O-CB 3.09Å; D605-R608 PolarHBondContact O-N 3.23Å; D605-R608 WeakPolarHBondContact OD2-CD 3.43Å; D605-R608 WeakPolarHBondContact OD2-CG 3.22Å; D605-R608 IonicContact OD2-CZ 3.59Å; D605-R608 IonicContact OD2-NE 2.78Å; D605-R608 PolarHBondContact OD2-NE 3.32Å; D605-R608 IonicContact OD2-NH2 3.53Å; D605-M609 PolarHBondContact O-N 3.28Å | ||
| 606 | K | 75.8 | Confident | 71.2 | Confident | 120 Ų | 120 | 71.8 Ų | 71.8 | 52% | 0.522 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -48.4 | -34 | 177.5 | -172.9 | 164.8 | -176.7 | 166 | 0 | 112.4 | T541 L604 I610 | T541-K606 HydrophobicContact CG2-CB 3.69Å; T541-K606 HydrophobicContact CG2-CD 4.13Å; T541-K606 HydrophobicContact CG2-CG 3.89Å; L604-K606 PolarHBondContact O-N 3.08Å; K606-I610 HydrophobicContact CG-CD1 3.77Å; K606-I610 VanDerWaalsContact O-CB 3.27Å; K606-I610 WeakPolarHBondContact O-CB 3.48Å; K606-I610 VanDerWaalsContact O-CD1 3.25Å; K606-I610 WeakPolarHBondContact O-CD1 3.36Å; K606-I610 WeakPolarHBondContact O-CG1 3.24Å; K606-I610 PolarHBondContact O-N 3.17Å |
| 607 | T | 77.9 | Confident | 72.4 | Confident | 102 Ų | 102 | 66.5 Ų | 66.5 | 63% | 0.626 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -66.2 | -44.2 | 178 | -30.4 | 0 | 0 | 0 | 0 | 111 | D605 A611 | D605-T607 PolarHBondContact O-N 3.13Å; D605-T607 WeakPolarHBondContact OD1-CA 3.39Å; D605-T607 WeakPolarHBondContact OD1-CB 3.48Å; D605-T607 PolarHBondContact OD1-N 3.35Å; D605-T607 PolarHBondContact OD1-OG1 3.47Å; T607-A611 WeakPolarHBondContact O-CB 3.47Å; T607-A611 PolarHBondContact O-N 3.32Å |
| 608 | R | 79.9 | Confident | 73.4 | Confident | 137 Ų | 137 | 65.5 Ų | 65.5 | 52% | 0.517 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -70.2 | -42.2 | 178.3 | -62.6 | 175.9 | -153.3 | -164.5 | 3.9 | 111.5 | F592 D605 A611 Y612 | F592-R608 HydrophobicContact CD2-CB 3.59Å; F592-R608 HydrophobicContact CD2-CG 4.2Å; F592-R608 HydrophobicContact CE2-CB 3.72Å; F592-R608 HydrophobicContact CG-CB 4.05Å; F592-R608 HydrophobicContact CZ-CB 4.29Å; D605-R608 HydrophobicContact CB-CB 4.34Å; D605-R608 HydrophobicContact CB-CG 4.08Å; D605-R608 WeakPolarHBondContact O-CB 3.09Å; D605-R608 PolarHBondContact O-N 3.23Å; D605-R608 WeakPolarHBondContact OD2-CD 3.43Å; D605-R608 WeakPolarHBondContact OD2-CG 3.22Å; D605-R608 IonicContact OD2-CZ 3.59Å; D605-R608 IonicContact OD2-NE 2.78Å; D605-R608 PolarHBondContact OD2-NE 3.32Å; D605-R608 IonicContact OD2-NH2 3.53Å; R608-A611 CarbonylContact O-C 3.54Å; R608-A611 PolarHBondContact O-N 3.34Å; R608-Y612 WeakPolarHBondContact O-CB 3.48Å; R608-Y612 PolarHBondContact O-N 2.94Å |
| 609 | M | 82.8 | Confident | 74.4 | Confident | 4 Ų | 4 | 68.5 Ų | 68.5 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.4 | -43 | 175.3 | -77 | -64.6 | -79.6 | 0 | 0 | 112.4 | W544 F592 L604 D605 A611 Y612 L613 | W544-M609 HydrophobicContact CB-CE 3.34Å; W544-M609 HydrophobicContact CG-CE 3.75Å; F592-M609 HydrophobicContact CE1-CG 4.42Å; F592-M609 HydrophobicContact CE1-SD 3.57Å; F592-M609 VanDerWaalsContact CE1-SD 3.57Å; F592-M609 HydrophobicContact CZ-CG 3.93Å; F592-M609 HydrophobicContact CZ-SD 3.45Å; F592-M609 WeakPolarHBondContact CZ-SD 3.25Å; L604-M609 HydrophobicContact CD1-CE 4.33Å; L604-M609 HydrophobicContact CD1-CG 4.13Å; L604-M609 HydrophobicContact CD1-SD 4.41Å; L604-M609 HydrophobicContact CD2-CG 3.54Å; L604-M609 HydrophobicContact CD2-SD 4.17Å; L604-M609 HydrophobicContact CG-CG 4.37Å; D605-M609 PolarHBondContact O-N 3.28Å; M609-A611 VanDerWaalsContact C-N 3.33Å; M609-A611 PolarHBondContact O-N 3.37Å; M609-Y612 PolarHBondContact O-N 3.33Å; M609-L613 WeakPolarHBondContact O-CB 3.27Å; M609-L613 WeakPolarHBondContact O-CG 3.39Å; M609-L613 PolarHBondContact O-N 2.81Å |
| 610 | I | 82.9 | Confident | 75.6 | Confident | 28 Ų | 28 | 65.9 Ų | 65.9 | 14% | 0.144 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 172.3 | -72.3 | 161.6 | 0 | 0 | 0 | 110.7 | P518 L521 L540 K606 S614 | P518-I610 HydrophobicContact CB-CD1 3.91Å; P518-I610 HydrophobicContact CB-CG1 4.45Å; P518-I610 HydrophobicContact CG-CD1 3.73Å; L521-I610 HydrophobicContact CD2-CG2 4.11Å; L540-I610 HydrophobicContact CB-CG1 4.27Å; L540-I610 HydrophobicContact CD1-CG1 3.87Å; K606-I610 HydrophobicContact CG-CD1 3.77Å; K606-I610 VanDerWaalsContact O-CB 3.27Å; K606-I610 WeakPolarHBondContact O-CB 3.48Å; K606-I610 VanDerWaalsContact O-CD1 3.25Å; K606-I610 WeakPolarHBondContact O-CD1 3.36Å; K606-I610 WeakPolarHBondContact O-CG1 3.24Å; K606-I610 PolarHBondContact O-N 3.17Å; I610-S614 WeakPolarHBondContact O-CB 3.43Å; I610-S614 PolarHBondContact O-N 2.89Å; I610-S614 PolarHBondContact O-OG 2.67Å |
| 611 | A | 82.8 | Confident | 76.2 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | T607 R608 M609 | T607-A611 WeakPolarHBondContact O-CB 3.47Å; T607-A611 PolarHBondContact O-N 3.32Å; R608-A611 CarbonylContact O-C 3.54Å; R608-A611 PolarHBondContact O-N 3.34Å; M609-A611 VanDerWaalsContact C-N 3.33Å; M609-A611 PolarHBondContact O-N 3.37Å |
| 612 | Y | 85.7 | Confident | 76.3 | Confident | 3 Ų | 3 | 66 Ų | 66 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69.7 | -55 | 176.8 | -168.4 | -106.7 | 0 | 0 | 0 | 111.3 | L550 F580 S583 I589 R590 F592 R608 M609 S614 K615 F616 | L550-Y612 HydrophobicContact CD2-CE1 4.45Å; F580-Y612 HydrophobicContact CD1-CE1 4.12Å; F580-Y612 AromaticContact CD1-CZ 3.93Å; F580-Y612 AromaticContact CE1-CE1 3.83Å; F580-Y612 HydrophobicContact CE1-CE1 3.83Å; F580-Y612 AromaticContact CE1-CZ 3.99Å; S583-Y612 WeakPolarHBondContact CB-OH 3.5Å; I589-Y612 HydrophobicContact CG2-CD2 4.04Å; I589-Y612 HydrophobicContact CG2-CE2 3.53Å; I589-Y612 WeakPolarHBondContact O-CE2 3.23Å; I589-Y612 PolarHBondContact O-OH 3.26Å; R590-Y612 WeakPolarHBondContact O-CE2 3.48Å; F592-Y612 AromaticContact CD1-CD2 3.87Å; F592-Y612 HydrophobicContact CD1-CD2 3.87Å; F592-Y612 AromaticContact CD1-CG 3.88Å; F592-Y612 HydrophobicContact CD1-CG 3.88Å; F592-Y612 HydrophobicContact CE1-CD2 4.48Å; F592-Y612 HydrophobicContact CE1-CG 4.08Å; R608-Y612 WeakPolarHBondContact O-CB 3.48Å; R608-Y612 PolarHBondContact O-N 2.94Å; M609-Y612 PolarHBondContact O-N 3.33Å; Y612-S614 PolarHBondContact O-N 3.47Å; Y612-K615 WeakPolarHBondContact O-CB 3.45Å; Y612-K615 PolarHBondContact O-N 2.87Å; Y612-F616 HydrophobicContact CD1-CE2 4.14Å; Y612-F616 HydrophobicContact CE1-CD2 4.44Å; Y612-F616 AromaticContact CE1-CE2 3.6Å; Y612-F616 HydrophobicContact CE1-CE2 3.6Å; Y612-F616 HydrophobicContact CE1-CZ 4.42Å; Y612-F616 AromaticContact CZ-CE2 3.91Å |
| 613 | L | 87 | Confident | 76.4 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.6 | -26.7 | 177.5 | -66.6 | 170.8 | 0 | 0 | 0 | 112.5 | L521 L540 W544 L550 L553 M609 K615 F616 Y617 | L521-L613 HydrophobicContact CD1-CB 4.25Å; L521-L613 HydrophobicContact CD2-CB 3.96Å; L521-L613 HydrophobicContact CG-CB 4.35Å; L540-L613 HydrophobicContact CD2-CD1 3.92Å; W544-L613 HydrophobicContact CD2-CD1 3.96Å; W544-L613 HydrophobicContact CD2-CD2 4.34Å; W544-L613 HydrophobicContact CE3-CD1 4.42Å; W544-L613 HydrophobicContact CE3-CD2 3.97Å; W544-L613 HydrophobicContact CG-CD1 4.49Å; W544-L613 HydrophobicContact CH2-CD1 4.12Å; W544-L613 HydrophobicContact CH2-CD2 3.64Å; W544-L613 HydrophobicContact CZ2-CD1 3.61Å; W544-L613 HydrophobicContact CZ2-CD2 4.04Å; W544-L613 HydrophobicContact CZ2-CG 4.49Å; W544-L613 HydrophobicContact CZ3-CD2 3.62Å; L550-L613 HydrophobicContact CD2-CD2 3.77Å; L553-L613 HydrophobicContact CD2-CD2 4.27Å; M609-L613 WeakPolarHBondContact O-CB 3.27Å; M609-L613 WeakPolarHBondContact O-CG 3.39Å; M609-L613 PolarHBondContact O-N 2.81Å; L613-K615 VanDerWaalsContact C-N 3.27Å; L613-K615 PolarHBondContact O-N 3.14Å; L613-F616 WeakPolarHBondContact O-CB 3.4Å; L613-F616 PolarHBondContact O-N 3.28Å; L613-Y617 PolarHBondContact O-N 2.91Å |
| 614 | S | 84.9 | Confident | 75.9 | Confident | 19 Ų | 19 | 58.3 Ų | 58.3 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -31 | 171.2 | -73.5 | 0 | 0 | 0 | 0 | 113.3 | I610 Y612 Y617 E618 | I610-S614 WeakPolarHBondContact O-CB 3.43Å; I610-S614 PolarHBondContact O-N 2.89Å; I610-S614 PolarHBondContact O-OG 2.67Å; Y612-S614 PolarHBondContact O-N 3.47Å; S614-Y617 PolarHBondContact O-N 2.74Å; S614-E618 PolarHBondContact O-N 3.24Å |
| 615 | K | 84 | Confident | 75.2 | Confident | 104 Ų | 104 | 61.3 Ų | 61.3 | 45% | 0.452 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.4 | -44.8 | 175.8 | -62.9 | 171.9 | -177.6 | 179.3 | 0 | 110.8 | I589 Y612 L613 E618 L619 | I589-K615 HydrophobicContact CD1-CB 4.11Å; I589-K615 HydrophobicContact CG1-CB 4.38Å; I589-K615 HydrophobicContact CG2-CB 3.9Å; I589-K615 HydrophobicContact CG2-CD 3.62Å; I589-K615 HydrophobicContact CG2-CG 4.43Å; Y612-K615 WeakPolarHBondContact O-CB 3.45Å; Y612-K615 PolarHBondContact O-N 2.87Å; L613-K615 VanDerWaalsContact C-N 3.27Å; L613-K615 PolarHBondContact O-N 3.14Å; K615-E618 PolarHBondContact O-N 2.87Å; K615-L619 WeakPolarHBondContact O-CB 3.18Å; K615-L619 PolarHBondContact O-N 3.45Å |
| 616 | F | 83 | Confident | 73.8 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.3 | -47.6 | 171.3 | -75.2 | -92.9 | 0 | 0 | 0 | 111.9 | W524 L553 I554 S583 F587 I589 Y612 L613 E618 L619 F620 | W524-F616 HydrophobicContact CH2-CB 4.28Å; W524-F616 HydrophobicContact CZ3-CB 4.33Å; L553-F616 HydrophobicContact CD2-CB 4.14Å; L553-F616 HydrophobicContact CD2-CD1 4.1Å; L553-F616 HydrophobicContact CD2-CG 4.13Å; I554-F616 HydrophobicContact CG1-CE1 4.04Å; S583-F616 WeakPolarHBondContact OG-CZ 3.46Å; F587-F616 HydrophobicContact CD2-CE1 4.25Å; I589-F616 HydrophobicContact CB-CE2 4.34Å; I589-F616 HydrophobicContact CD1-CD1 4.23Å; I589-F616 HydrophobicContact CD1-CD2 3.87Å; I589-F616 HydrophobicContact CD1-CE1 4.1Å; I589-F616 HydrophobicContact CD1-CE2 3.75Å; I589-F616 HydrophobicContact CD1-CG 4.09Å; I589-F616 HydrophobicContact CD1-CZ 3.85Å; I589-F616 HydrophobicContact CG2-CD2 4.33Å; I589-F616 HydrophobicContact CG2-CE2 3.79Å; I589-F616 HydrophobicContact CG2-CZ 4.46Å; Y612-F616 HydrophobicContact CD1-CE2 4.14Å; Y612-F616 HydrophobicContact CE1-CD2 4.44Å; Y612-F616 AromaticContact CE1-CE2 3.6Å; Y612-F616 HydrophobicContact CE1-CE2 3.6Å; Y612-F616 HydrophobicContact CE1-CZ 4.42Å; Y612-F616 AromaticContact CZ-CE2 3.91Å; L613-F616 WeakPolarHBondContact O-CB 3.4Å; L613-F616 PolarHBondContact O-N 3.28Å; F616-E618 VanDerWaalsContact C-N 3.34Å; F616-E618 PolarHBondContact O-N 3.19Å; F616-L619 PolarHBondContact O-N 2.8Å; F616-F620 HydrophobicContact CB-CD2 4.49Å; F616-F620 HydrophobicContact CD1-CD2 4.26Å; F616-F620 AromaticContact CD1-CE2 3.84Å; F616-F620 HydrophobicContact CD1-CE2 3.84Å; F616-F620 HydrophobicContact CE1-CE2 4.44Å; F616-F620 WeakPolarHBondContact O-CD2 3.41Å; F616-F620 PolarHBondContact O-N 3.41Å |
| 617 | Y | 83.7 | Confident | 71.7 | Confident | 17 Ų | 17 | 62 Ų | 62 | 7% | 0.067 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.1 | -43.4 | 177.2 | 176.8 | -85.4 | 0 | 0 | 0 | 111.8 | I516 R520 L521 W524 L613 S614 R621 | I516-Y617 HydrophobicContact CD1-CD1 3.63Å; I516-Y617 HydrophobicContact CD1-CE1 4.22Å; I516-Y617 HydrophobicContact CD1-CG 4.46Å; I516-Y617 HydrophobicContact CG1-CD1 4.37Å; I516-Y617 HydrophobicContact CG2-CD1 4.46Å; R520-Y617 PolarHBondContact NE-OH 3.44Å; R520-Y617 PolarHBondContact NH2-OH 2.72Å; R520-Y617 VanDerWaalsContact NH2-OH 3.15Å; L521-Y617 HydrophobicContact CD1-CD2 4.16Å; L521-Y617 HydrophobicContact CD1-CG 4.04Å; W524-Y617 HydrophobicContact CB-CD2 3.82Å; W524-Y617 HydrophobicContact CB-CE2 3.86Å; W524-Y617 AromaticContact CD2-CD2 3.56Å; W524-Y617 HydrophobicContact CD2-CD2 3.56Å; W524-Y617 HydrophobicContact CD2-CE2 4.26Å; W524-Y617 HydrophobicContact CD2-CG 4.5Å; W524-Y617 AromaticContact CE3-CD2 3.79Å; W524-Y617 HydrophobicContact CE3-CD2 3.79Å; W524-Y617 HydrophobicContact CE3-CG 4.42Å; W524-Y617 AromaticContact CG-CD2 3.58Å; W524-Y617 HydrophobicContact CG-CD2 3.58Å; W524-Y617 AromaticContact CG-CE2 3.8Å; W524-Y617 HydrophobicContact CG-CE2 3.8Å; L613-Y617 PolarHBondContact O-N 2.91Å; S614-Y617 PolarHBondContact O-N 2.74Å; Y617-R621 HydrophobicContact CE1-CB 4.4Å; Y617-R621 WeakPolarHBondContact O-CB 3.18Å; Y617-R621 WeakPolarHBondContact O-CG 3.47Å; Y617-R621 PolarHBondContact O-N 2.89Å |
| 618 | E | 82.6 | Confident | 69.6 | Low | 70 Ų | 70 | 62.2 Ų | 62.2 | 33% | 0.327 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -73.2 | -27 | 178.4 | -69.1 | -70.5 | 106.5 | 0 | 0 | 113.7 | R511 I516 S614 K615 F616 R621 | R511-E618 IonicContact CZ-OE2 3.77Å; R511-E618 IonicContact NH1-OE1 3.1Å; R511-E618 IonicContact NH1-OE2 3.69Å; R511-E618 PolarHBondContact NH1-OE2 2.61Å; I516-E618 HydrophobicContact CD1-CG 3.79Å; S614-E618 PolarHBondContact O-N 3.24Å; K615-E618 PolarHBondContact O-N 2.87Å; F616-E618 VanDerWaalsContact C-N 3.34Å; F616-E618 PolarHBondContact O-N 3.19Å; E618-R621 WeakPolarHBondContact O-CG 3.38Å; E618-R621 WeakPolarHBondContact OE1-CD 3.41Å; E618-R621 IonicContact OE1-CZ 2.73Å; E618-R621 IonicContact OE1-NE 3.22Å; E618-R621 IonicContact OE1-NH1 2.81Å; E618-R621 PolarHBondContact OE1-NH1 3.09Å; E618-R621 IonicContact OE2-CZ 3.38Å; E618-R621 IonicContact OE2-NH1 3.91Å; E618-R621 PolarHBondContact OE2-NH1 3.13Å |
| 619 | L | 80.4 | Confident | 67.4 | Low | 86 Ų | 86 | 63.3 Ų | 63.3 | 45% | 0.45 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.6 | -39.6 | 177 | -169.5 | 66.7 | 0 | 0 | 0 | 112.7 | F587 I589 K615 F616 | F587-L619 HydrophobicContact CB-CD2 3.82Å; F587-L619 HydrophobicContact CD1-CD2 3.88Å; F587-L619 HydrophobicContact CG-CD2 4.02Å; I589-L619 HydrophobicContact CD1-CD2 4.17Å; K615-L619 WeakPolarHBondContact O-CB 3.18Å; K615-L619 PolarHBondContact O-N 3.45Å; F616-L619 PolarHBondContact O-N 2.8Å |
| 620 | F | 80 | Confident | 65 | Low | 20 Ų | 20 | 70.2 Ų | 70.2 | 9% | 0.088 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -105.8 | 1.3 | -171.6 | -63.2 | -65.1 | 0 | 0 | 0 | 115.3 | W524 F557 F587 F616 G622 T623 | W524-F620 HydrophobicContact CH2-CB 4.31Å; W524-F620 HydrophobicContact CZ2-CB 3.9Å; F557-F620 HydrophobicContact CB-CD1 3.74Å; F557-F620 HydrophobicContact CB-CE1 3.51Å; F557-F620 HydrophobicContact CB-CG 4.35Å; F557-F620 HydrophobicContact CB-CZ 3.95Å; F557-F620 HydrophobicContact CD1-CB 4.15Å; F557-F620 AromaticContact CD1-CD1 3.75Å; F557-F620 HydrophobicContact CD1-CD1 3.75Å; F557-F620 HydrophobicContact CD1-CE1 4.41Å; F557-F620 HydrophobicContact CD1-CG 4.06Å; F557-F620 HydrophobicContact CD2-CB 4.06Å; F557-F620 AromaticContact CD2-CD1 3.91Å; F557-F620 HydrophobicContact CD2-CD1 3.91Å; F557-F620 AromaticContact CD2-CD2 3.79Å; F557-F620 HydrophobicContact CD2-CD2 3.79Å; F557-F620 HydrophobicContact CD2-CE1 4.3Å; F557-F620 HydrophobicContact CD2-CE2 4.18Å; F557-F620 AromaticContact CD2-CG 3.64Å; F557-F620 HydrophobicContact CD2-CG 3.64Å; F557-F620 HydrophobicContact CD2-CZ 4.42Å; F557-F620 HydrophobicContact CE1-CB 3.89Å; F557-F620 HydrophobicContact CE1-CD1 4.35Å; F557-F620 HydrophobicContact CE1-CG 4.29Å; F557-F620 HydrophobicContact CE2-CB 3.79Å; F557-F620 HydrophobicContact CE2-CD1 4.49Å; F557-F620 HydrophobicContact CE2-CD2 4.13Å; F557-F620 AromaticContact CE2-CG 3.9Å; F557-F620 HydrophobicContact CE2-CG 3.9Å; F557-F620 HydrophobicContact CG-CB 4.25Å; F557-F620 AromaticContact CG-CD1 3.51Å; F557-F620 HydrophobicContact CG-CD1 3.51Å; F557-F620 HydrophobicContact CG-CD2 4.25Å; F557-F620 AromaticContact CG-CE1 3.84Å; F557-F620 HydrophobicContact CG-CE1 3.84Å; F557-F620 AromaticContact CG-CG 3.75Å; F557-F620 HydrophobicContact CG-CG 3.75Å; F557-F620 HydrophobicContact CG-CZ 4.33Å; F557-F620 HydrophobicContact CZ-CB 3.71Å; F557-F620 HydrophobicContact CZ-CG 4.22Å; F587-F620 AromaticContact CD1-CZ 3.98Å; F587-F620 HydrophobicContact CD1-CZ 3.98Å; F587-F620 HydrophobicContact CE1-CE1 4.35Å; F587-F620 AromaticContact CE1-CZ 3.62Å; F587-F620 HydrophobicContact CE1-CZ 3.62Å; F587-F620 HydrophobicContact CE2-CZ 4.42Å; F587-F620 AromaticContact CZ-CZ 3.87Å; F587-F620 HydrophobicContact CZ-CZ 3.87Å; F616-F620 HydrophobicContact CB-CD2 4.49Å; F616-F620 HydrophobicContact CD1-CD2 4.26Å; F616-F620 AromaticContact CD1-CE2 3.84Å; F616-F620 HydrophobicContact CD1-CE2 3.84Å; F616-F620 HydrophobicContact CE1-CE2 4.44Å; F616-F620 WeakPolarHBondContact O-CD2 3.41Å; F616-F620 PolarHBondContact O-N 3.41Å; F620-G622 PolarHBondContact O-N 2.94Å; F620-T623 PolarHBondContact O-N 3.2Å |
| 621 | R | 70.2 | Confident | 62.6 | Low | 126 Ų | 126 | 74 Ų | 74 | 48% | 0.475 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 76.4 | -178 | 52.4 | 172.1 | -95.8 | -144 | -30.2 | 115.2 | Y617 E618 | Y617-R621 HydrophobicContact CE1-CB 4.4Å; Y617-R621 WeakPolarHBondContact O-CB 3.18Å; Y617-R621 WeakPolarHBondContact O-CG 3.47Å; Y617-R621 PolarHBondContact O-N 2.89Å; E618-R621 WeakPolarHBondContact O-CG 3.38Å; E618-R621 WeakPolarHBondContact OE1-CD 3.41Å; E618-R621 IonicContact OE1-CZ 2.73Å; E618-R621 IonicContact OE1-NE 3.22Å; E618-R621 IonicContact OE1-NH1 2.81Å; E618-R621 PolarHBondContact OE1-NH1 3.09Å; E618-R621 IonicContact OE2-CZ 3.38Å; E618-R621 IonicContact OE2-NH1 3.91Å; E618-R621 PolarHBondContact OE2-NH1 3.13Å |
| 622 | G | 54.7 | Low | 60 | Low | 73 Ų | 73 | 82.6 Ų | 82.6 | 75% | 0.753 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 126.2 | 2.5 | 174 | 0 | 0 | 0 | 0 | 0 | 114 | F620 | F620-G622 PolarHBondContact O-N 2.94Š|
| 623 | T | 60.4 | Low | 57.2 | Low | 73 Ų | 73 | 92.9 Ų | 92.9 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | P | Polyproline II helix | trans | -63 | 128.9 | 166.7 | -42 | 0 | 0 | 0 | 0 | 108.7 | F620 | F620-T623 PolarHBondContact O-N 3.2Š|
| 624 | P | 44.3 | Very low | 54.5 | Low | 112 Ų | 112 | 98.6 Ų | 98.6 | 73% | 0.727 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 142.2 | 169.8 | 28.2 | -33.3 | 0 | 0 | 0 | 109.6 | ||
| 625 | L | 46.4 | Very low | 51.8 | Low | 81 Ų | 81 | 105.1 Ų | 105.1 | 42% | 0.424 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 143.3 | 175.7 | -70.6 | 169 | 0 | 0 | 0 | 110 | R556 F557 | R556-L625 HydrophobicContact CG-CD2 4.16Å; F557-L625 HydrophobicContact CD1-CD2 4.19Å; F557-L625 HydrophobicContact CE1-CD2 3.89Å |
| 626 | P | 40.7 | Very low | 49.3 | Very low | 79 Ų | 79 | 108.4 Ų | 108.4 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | P | Polyproline II helix | trans | -55.3 | 140.6 | 165.2 | -22.6 | 33.6 | 0 | 0 | 0 | 110.8 | S628 | P626-S628 PolarHBondContact O-N 2.97Š|
| 627 | S | 30.6 | Very low | 46.7 | Very low | 112 Ų | 112 | 115 Ų | 115 | 78% | 0.783 | 62% | 0.615 | S | S | * | * | trans | -70.7 | 111.7 | 174.7 | 47.8 | 0 | 0 | 0 | 0 | 110.2 | E629 | S627-E629 PolarHBondContact O-N 3.1Š| ||
| 628 | S | 33.7 | Very low | 44 | Very low | 107 Ų | 107 | 121 Ų | 121 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -74.4 | 88 | 168.8 | 52.1 | 0 | 0 | 0 | 0 | 110 | P626 D630 | P626-S628 PolarHBondContact O-N 2.97Å; S628-D630 PolarHBondContact O-N 3.33Å | ||
| 629 | E | 34 | Very low | 41.5 | Very low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.752 | 67% | 0.672 | S | S | * | * | trans | -68.6 | 79.8 | 156.7 | -84 | -156.4 | 109.7 | 0 | 0 | 109.1 | S627 R633 | S627-E629 PolarHBondContact O-N 3.1Å; E629-R633 IonicContact OE1-NH2 3.82Å | ||
| 630 | D | 33.4 | Very low | 38.8 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -158.2 | 82.4 | 155 | -130.6 | -22.9 | 0 | 0 | 0 | 112 | S628 | S628-D630 PolarHBondContact O-N 3.33Š| ||
| 631 | S | 31 | Very low | 36.2 | Very low | 107 Ų | 107 | 139.4 Ų | 139.4 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 168.4 | 64.1 | 160.4 | -81.2 | 0 | 0 | 0 | 0 | 113 | ||
| 632 | R | 29.4 | Very low | 34.6 | Very low | 236 Ų | 236 | 139 Ų | 139 | 89% | 0.891 | 74% | 0.739 | S | S | * | * | trans | 168.3 | 93.6 | 148.9 | -98.9 | 165.2 | -83.2 | -174.1 | -11.1 | 114.5 | ||||
| 633 | R | 26.3 | Very low | 33.3 | Very low | 218 Ų | 218 | 139.5 Ų | 139.5 | 82% | 0.823 | 73% | 0.731 | S | S | * | * | trans | -144.2 | 130 | 140.7 | -57.1 | -171.8 | -165.6 | -168.7 | 7.8 | 104.2 | E629 | E629-R633 IonicContact OE1-NH2 3.82Š| ||
| 634 | V | 31.1 | Very low | 31.7 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 73% | 0.733 | 75% | 0.753 | S | S | * | * | cis | 68.5 | 93.3 | 37.4 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 635 | D | 28.5 | Very low | 30.8 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | 38 | 131 | 147.1 | -50.4 | -12.7 | 0 | 0 | 0 | 120.5 | ||||
| 636 | E | 29.9 | Very low | 29.8 | Very low | 174 Ų | 174 | 150.2 Ų | 150.2 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -51.5 | 140.6 | -179.5 | -55.5 | 159.4 | 161.2 | 0 | 0 | 114.5 | ||||
| 637 | N | 28.5 | Very low | 29.1 | Very low | 137 Ų | 137 | 154.9 Ų | 154.9 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | 175.1 | 161.3 | 101.3 | -94.9 | -74.3 | 0 | 0 | 0 | 113.9 | |||||
| 638 | N | 27.4 | Very low | 28.9 | Very low | 144 Ų | 144 | 154 Ų | 154 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 72.2 | 102.4 | 169.1 | -61.4 | -1.4 | 0 | 0 | 0 | 119.2 | ||||
| 639 | E | 30.4 | Very low | 28.4 | Very low | 174 Ų | 174 | 156.6 Ų | 156.6 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | 11.4 | 142.4 | 119 | -48.5 | -58 | 152.7 | 0 | 0 | 117.4 | |||||
| 640 | E | 24.8 | Very low | 28 | Very low | 182 Ų | 182 | 155.4 Ų | 155.4 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | cis | -160.4 | 164.5 | 38.3 | -148.1 | 170 | -174.3 | 0 | 0 | 111.4 | ||||
| 641 | Y | 24 | Very low | 27.6 | Very low | 207 Ų | 207 | 156.6 Ų | 156.6 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | trans | -102.7 | 177.3 | 178.4 | -114.7 | -115.3 | 0 | 0 | 0 | 111 | ||||
| 642 | P | 36.5 | Very low | 27.3 | Very low | 116 Ų | 116 | 158 Ų | 158 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -135.7 | -179.9 | 9.4 | 43.7 | -26.1 | 0 | 0 | 0 | 118 | ||||
| 643 | S | 28.1 | Very low | 27.2 | Very low | 84 Ų | 84 | 153 Ų | 153 | 59% | 0.587 | 79% | 0.785 | S | S | * | * | trans | -64.6 | 172.7 | 174.8 | -29.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 644 | E | 27.1 | Very low | 27.2 | Very low | 197 Ų | 197 | 148.7 Ų | 148.7 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | trans | -145.3 | 154.1 | 133.7 | -89.8 | -123.6 | 131.6 | 0 | 0 | 110.9 | ||||
| 645 | E | 24.6 | Very low | 27 | Very low | 158 Ų | 158 | 150.3 Ų | 150.3 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | trans | -121.5 | 147.1 | -176.6 | -31 | 168.6 | 118.6 | 0 | 0 | 112.1 | ||||
| 646 | V | 26.7 | Very low | 26.8 | Very low | 137 Ų | 137 | 146.4 Ų | 146.4 | 83% | 0.83 | 77% | 0.771 | S | S | * | * | trans | -139.5 | 89.6 | 153.3 | -169.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 647 | K | 25.5 | Very low | 26.6 | Very low | 177 Ų | 177 | 146.2 Ų | 146.2 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 33.1 | 115 | 133.2 | -64.3 | 162 | -173.8 | 163.1 | 0 | 118.8 | ||||
| 648 | A | 25.6 | Very low | 26.5 | Very low | 94 Ų | 94 | 145.3 Ų | 145.3 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | -68.2 | 162.6 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 649 | N | 24 | Very low | 26.4 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | -150.6 | 149.1 | 157.1 | -140.4 | -9.9 | 0 | 0 | 0 | 111.8 | ||||
| 650 | N | 25.5 | Very low | 26.1 | Very low | 136 Ų | 136 | 150.5 Ų | 150.5 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | -87.6 | 162.8 | -168.7 | -59.1 | -39.5 | 0 | 0 | 0 | 113 | ||||
| 651 | N | 25.2 | Very low | 26.1 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 94% | 0.936 | 78% | 0.783 | S | S | * | * | -154.9 | 157 | 128.8 | -104.6 | -34.2 | 0 | 0 | 0 | 110.9 | |||||
| 652 | D | 24.4 | Very low | 26.1 | Very low | 137 Ų | 137 | 149.3 Ų | 149.3 | 73% | 0.733 | 78% | 0.781 | S | S | * | * | trans | -142.3 | 171.6 | -148.9 | -161.8 | 1 | 0 | 0 | 0 | 112.6 | ||||
| 653 | L | 27.2 | Very low | 26.4 | Very low | 129 Ų | 129 | 149.3 Ų | 149.3 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | trans | 77 | 131.5 | 158.7 | -64.2 | 175.6 | 0 | 0 | 0 | 121.5 | ||||
| 654 | N | 25.5 | Very low | 26.3 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | 73.6 | 153.4 | 138.5 | -70.6 | -26.2 | 0 | 0 | 0 | 120.8 | ||||
| 655 | L | 27.1 | Very low | 26.2 | Very low | 155 Ų | 155 | 150.2 Ų | 150.2 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | cis | -166.3 | 163.9 | -30.6 | -164 | 63.3 | 0 | 0 | 0 | 108.7 | ||||
| 656 | A | 24.4 | Very low | 26.4 | Very low | 73 Ų | 73 | 149 Ų | 149 | 60% | 0.603 | 77% | 0.772 | S | S | * | * | trans | 81.9 | 120.6 | 146.3 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 657 | L | 26.2 | Very low | 26.5 | Very low | 169 Ų | 169 | 150.2 Ų | 150.2 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | trans | 79.7 | 169.2 | 131.6 | -70.5 | 172.2 | 0 | 0 | 0 | 121 | ||||
| 658 | T | 27.3 | Very low | 26.5 | Very low | 118 Ų | 118 | 149.7 Ų | 149.7 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | trans | -135.8 | 150.3 | -163.6 | 58.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 659 | R | 24.6 | Very low | 26.5 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 77% | 0.765 | S | S | * | * | trans | 178.2 | 120.3 | 138.5 | -98.3 | 152.8 | -172.5 | -161.9 | 2.5 | 115.3 | ||||
| 660 | K | 24.4 | Very low | 26.6 | Very low | 194 Ų | 194 | 149.5 Ų | 149.5 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | trans | 32.9 | 146.9 | 131.5 | -60 | -176 | 172.7 | -176.4 | 0 | 122.7 | ||||
| 661 | R | 23.5 | Very low | 26.7 | Very low | 236 Ų | 236 | 146.1 Ų | 146.1 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | trans | 102.5 | 145.4 | 153.3 | -63.5 | -173.5 | 175.1 | 157.7 | -3 | 115.3 | ||||
| 662 | V | 24.6 | Very low | 26.9 | Very low | 128 Ų | 128 | 144.2 Ų | 144.2 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | -157.5 | 155.8 | -16 | 121.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 663 | P | 42.8 | Very low | 27 | Very low | 115 Ų | 115 | 144 Ų | 144 | 75% | 0.747 | 75% | 0.75 | S | S | * | * | trans | -101.5 | 168.7 | -172.1 | 39.6 | -36.7 | 0 | 0 | 0 | 115.9 | ||||
| 664 | K | 25.6 | Very low | 26.9 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 78% | 0.778 | 75% | 0.751 | S | S | * | * | trans | -156.9 | 130.6 | 156.4 | -106.6 | -162 | 170.8 | -105.7 | 0 | 110.4 | ||||
| 665 | D | 26.6 | Very low | 27 | Very low | 122 Ų | 122 | 140.9 Ų | 140.9 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | 69.9 | 134.8 | 101 | -72.3 | -15.1 | 0 | 0 | 0 | 114.1 | |||||
| 666 | E | 28.6 | Very low | 26.9 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 62% | 0.621 | 74% | 0.74 | S | S | * | * | cis | -143 | -170.9 | 1.9 | -115.7 | -172.3 | 126.9 | 0 | 0 | 107.7 | ||||
| 667 | K | 27.3 | Very low | 26.9 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 70% | 0.7 | 74% | 0.739 | S | S | * | * | cis | -153.1 | 137 | 5.3 | -136.1 | 150.6 | -177.3 | 120.8 | 0 | 105.7 | ||||
| 668 | K | 26.7 | Very low | 26.8 | Very low | 167 Ų | 167 | 147 Ų | 147 | 73% | 0.726 | 74% | 0.735 | S | S | * | * | 75.5 | 96.3 | 61 | -99.8 | -152 | 176.1 | -147.8 | 0 | 117.8 | D670 | K668-D670 IonicContact NZ-OD2 3.18Š| |||
| 669 | S | 26 | Very low | 26.6 | Very low | 115 Ų | 115 | 151 Ų | 151 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | -163.8 | 111.3 | 125.1 | 55.6 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 670 | D | 25.5 | Very low | 26.5 | Very low | 134 Ų | 134 | 150 Ų | 150 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | cis | 68.9 | 121.2 | 45.3 | -147.2 | 11.4 | 0 | 0 | 0 | 110.7 | K668 | K668-D670 IonicContact NZ-OD2 3.18Š| ||
| 671 | G | 28.2 | Very low | 26.3 | Very low | 66 Ų | 66 | 152 Ų | 152 | 68% | 0.68 | 74% | 0.735 | S | S | * | * | cis | -161.3 | -163.3 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 672 | T | 27.6 | Very low | 26.2 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 83% | 0.828 | 73% | 0.731 | S | S | * | * | cis | -153.3 | 141.5 | 4.5 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 673 | D | 26.5 | Very low | 26 | Very low | 132 Ų | 132 | 151.9 Ų | 151.9 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -104.4 | 151.9 | 177.6 | -172.8 | 14.6 | 0 | 0 | 0 | 111.3 | ||||
| 674 | S | 25.7 | Very low | 24.9 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 163.3 | 123.7 | 143.8 | 45.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 675 | V | 28.2 | Very low | 24.7 | Very low | 92 Ų | 92 | 151.7 Ų | 151.7 | 56% | 0.558 | 72% | 0.72 | S | S | * | * | cis | 72.5 | 114.8 | 42.2 | -176.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 676 | Y | 24.9 | Very low | 24.5 | Very low | 182 Ų | 182 | 153.1 Ų | 153.1 | 71% | 0.714 | 72% | 0.722 | S | S | * | * | 176.5 | 137.4 | 120.2 | -93.6 | -48.9 | 0 | 0 | 0 | 117.9 | |||||
| 677 | K | 24.1 | Very low | 24.2 | Very low | 136 Ų | 136 | 155 Ų | 155 | 59% | 0.591 | 73% | 0.731 | S | S | * | * | trans | 69.8 | 124 | 134.7 | -75.2 | 159 | -167.2 | 135.4 | 0 | 122.9 | ||||
| 678 | R | 23.4 | Very low | 24 | Very low | 209 Ų | 209 | 151.1 Ų | 151.1 | 79% | 0.789 | 73% | 0.729 | S | S | * | * | 96.9 | 124.9 | 124.1 | -77.2 | 169.2 | 179.7 | 172.8 | -0.5 | 122.4 | |||||
| 679 | R | 23.4 | Very low | 23.9 | Very low | 202 Ų | 202 | 149.8 Ų | 149.8 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | 68.1 | 133.1 | 133 | -76 | -176.9 | 168.4 | -176.1 | -1.4 | 121.3 | ||||
| 680 | R | 22.9 | Very low | 23.8 | Very low | 212 Ų | 212 | 151.3 Ų | 151.3 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | 40.4 | 131.1 | 133.8 | -60.9 | 178.6 | 173.5 | -179.5 | -3.5 | 117.6 | ||||
| 681 | R | 20.8 | Very low | 23.7 | Very low | 237 Ų | 237 | 153.6 Ų | 153.6 | 89% | 0.894 | 74% | 0.743 | S | S | * | * | -168.9 | 174.1 | 56.5 | -139.2 | 170.2 | -173.7 | 171.1 | -2 | 112.1 | |||||
| 682 | F | 20.7 | Very low | 23.4 | Very low | 186 Ų | 186 | 161.2 Ų | 161.2 | 82% | 0.816 | 75% | 0.751 | S | S | * | * | trans | -67.2 | 158 | 167.4 | -77.8 | -111.4 | 0 | 0 | 0 | 111.2 | ||||
| 683 | F | 20.1 | Very low | 23.2 | Very low | 174 Ų | 174 | 160.7 Ų | 160.7 | 76% | 0.763 | 75% | 0.753 | S | S | * | * | -173.6 | 149.1 | 77.9 | -120.6 | -98.1 | 0 | 0 | 0 | 115.1 | |||||
| 684 | Y | 20.6 | Very low | 23.1 | Very low | 174 Ų | 174 | 162.2 Ų | 162.2 | 68% | 0.682 | 76% | 0.761 | S | S | * | * | trans | 59.3 | 136 | 151.5 | -91.8 | -141.5 | 0 | 0 | 0 | 120.7 | ||||
| 685 | L | 21.8 | Very low | 23 | Very low | 116 Ų | 116 | 161.2 Ų | 161.2 | 61% | 0.607 | 77% | 0.767 | S | S | * | * | 77 | 134.9 | 79.3 | -150.9 | 76.4 | 0 | 0 | 0 | 110.5 | |||||
| 686 | E | 22.3 | Very low | 22.7 | Very low | 152 Ų | 152 | 162.5 Ų | 162.5 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | cis | -150.6 | 150.5 | 36.5 | -153.4 | 146.3 | -140.5 | 0 | 0 | 110.5 | ||||
| 687 | E | 22.3 | Very low | 22.6 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | 20.8 | 136.3 | 101 | -83.6 | 179.1 | 131.3 | 0 | 0 | 116.1 | |||||
| 688 | A | 22.2 | Very low | 22.6 | Very low | 80 Ų | 80 | 161.3 Ų | 161.3 | 66% | 0.661 | 80% | 0.801 | S | S | * | * | cis | -145.3 | 179.4 | 7.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 689 | T | 24.4 | Very low | 22.7 | Very low | 138 Ų | 138 | 160.7 Ų | 160.7 | 85% | 0.847 | 81% | 0.807 | S | S | * | * | -174.7 | 154.9 | 81.5 | 32.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 690 | N | 24.5 | Very low | 22.7 | Very low | 148 Ų | 148 | 159.6 Ų | 159.6 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -82.7 | 141.9 | 166.5 | -70.9 | -81.1 | 0 | 0 | 0 | 110.2 | ||||
| 691 | M | 23.2 | Very low | 22.7 | Very low | 181 Ų | 181 | 158.4 Ų | 158.4 | 89% | 0.892 | 81% | 0.814 | S | S | * | * | trans | -145.2 | 150.6 | 136 | -98.5 | -52.3 | 111.9 | 0 | 0 | 110.8 | ||||
| 692 | R | 21.8 | Very low | 22.9 | Very low | 227 Ų | 227 | 158.1 Ų | 158.1 | 86% | 0.857 | 81% | 0.813 | S | S | * | * | trans | -97.8 | 158.7 | 177.3 | -67.1 | 175.7 | 174.8 | 168.3 | -3 | 109.9 | ||||
| 693 | S | 24.2 | Very low | 23.1 | Very low | 124 Ų | 124 | 158.1 Ų | 158.1 | 87% | 0.867 | 82% | 0.815 | S | S | * | * | trans | -141.4 | 139 | 153 | -72.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 694 | N | 23.4 | Very low | 23.6 | Very low | 163 Ų | 163 | 155.3 Ų | 155.3 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -81.8 | 139 | -175.1 | -73.6 | -18.6 | 0 | 0 | 0 | 110.9 | ||||
| 695 | G | 23.8 | Very low | 24.1 | Very low | 80 Ų | 80 | 156.6 Ų | 156.6 | 83% | 0.825 | 82% | 0.824 | S | S | * | * | trans | -145.7 | 90.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 696 | S | 21.5 | Very low | 24.5 | Very low | 119 Ų | 119 | 158 Ų | 158 | 83% | 0.832 | 83% | 0.827 | S | S | * | * | trans | -96 | 123.2 | -175.2 | 55.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 697 | S | 23.3 | Very low | 25.3 | Very low | 120 Ų | 120 | 157 Ų | 157 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -139.8 | 134.9 | 156.6 | 54.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 698 | L | 23.6 | Very low | 25.8 | Very low | 173 Ų | 173 | 157.9 Ų | 157.9 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | trans | -104.2 | 121.4 | -173.8 | -73.4 | 164 | 0 | 0 | 0 | 110 | ||||
| 699 | Q | 25.4 | Very low | 26.6 | Very low | 196 Ų | 196 | 159 Ų | 159 | 92% | 0.916 | 83% | 0.826 | S | S | * | * | trans | -133 | 154.1 | 153.8 | -82.1 | -165.4 | -10.2 | 0 | 0 | 110.2 | ||||
| 700 | H | 23.3 | Very low | 27.3 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | trans | -114 | 75.7 | -144.4 | -163 | -30.6 | 0 | 0 | 0 | 112.3 | ||||
| 701 | E | 23.2 | Very low | 27.8 | Very low | 188 Ų | 188 | 156.7 Ų | 156.7 | 88% | 0.879 | 80% | 0.803 | S | S | * | * | trans | -68.3 | 155.8 | 168.5 | -69.1 | -148 | 120.7 | 0 | 0 | 111.9 | ||||
| 702 | R | 26.2 | Very low | 28.5 | Very low | 231 Ų | 231 | 153.6 Ų | 153.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | -111.2 | 113.2 | 171.8 | -73.9 | -179 | 175 | 175.3 | -1.2 | 108.5 | ||||
| 703 | E | 24.2 | Very low | 29.1 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -58.2 | 128.5 | 175.4 | -64.1 | -176 | 141.8 | 0 | 0 | 111.5 | K705 | E703-K705 PolarHBondContact O-N 2.94Š| ||
| 704 | P | 29.7 | Very low | 29.8 | Very low | 115 Ų | 115 | 141.9 Ų | 141.9 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -72.6 | 120.8 | 162.4 | 30.1 | -30.7 | 0 | 0 | 0 | 108.5 | E706 | P704-E706 PolarHBondContact O-N 2.64Š| ||
| 705 | K | 30.9 | Very low | 30.3 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 88% | 0.878 | 73% | 0.732 | S | S | * | * | trans | -57.5 | 109.7 | 180 | -72.4 | 179.1 | 176.2 | 176.8 | 0 | 111.1 | E703 N707 | E703-K705 PolarHBondContact O-N 2.94Å; K705-N707 PolarHBondContact O-N 2.72Å | ||
| 706 | E | 30.6 | Very low | 31 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 67% | 0.673 | 71% | 0.709 | S | S | * | * | trans | -68.9 | 130.2 | 171.5 | -70.7 | -144.3 | 111 | 0 | 0 | 111.2 | P704 K708 R710 | P704-E706 PolarHBondContact O-N 2.64Å; E706-K708 PolarHBondContact O-N 3.48Å; E706-R710 IonicContact OE1-NH1 3.28Å | ||
| 707 | N | 39.3 | Very low | 31.9 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | trans | -67.6 | 121 | 174.5 | -81.1 | -20.4 | 0 | 0 | 0 | 110.2 | K705 V709 R710 | K705-N707 PolarHBondContact O-N 2.72Å; N707-V709 PolarHBondContact O-N 3.31Å; N707-R710 WeakPolarHBondContact O-CB 3.47Å; N707-R710 PolarHBondContact O-N 3.13Å | ||
| 708 | K | 32.4 | Very low | 32.4 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 83% | 0.83 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -47.7 | -29 | -176.9 | -115.2 | 174.4 | 178.6 | 176.2 | 0 | 115 | E706 R710 S711 | E706-K708 PolarHBondContact O-N 3.48Å; K708-R710 VanDerWaalsContact C-N 3.31Å; K708-R710 PolarHBondContact O-N 3.23Å; K708-S711 PolarHBondContact O-N 2.92Å |
| 709 | V | 38.8 | Very low | 32.8 | Very low | 103 Ų | 103 | 132.9 Ų | 132.9 | 62% | 0.624 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -59.8 | -37.9 | 176 | -173.7 | 0 | 0 | 0 | 0 | 112.2 | N707 S711 M712 A713 | N707-V709 PolarHBondContact O-N 3.31Å; V709-S711 VanDerWaalsContact C-N 3.32Å; V709-S711 PolarHBondContact O-N 2.93Å; V709-M712 PolarHBondContact O-N 2.97Å; V709-M712 VanDerWaalsContact O-N 3.07Å; V709-A713 PolarHBondContact O-N 2.94Å |
| 710 | R | 40 | Very low | 33.3 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 58% | 0.581 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -63.2 | -37 | -176.2 | -159.9 | -176.8 | -155.7 | 173 | 12.6 | 112.6 | E706 N707 K708 M712 | E706-R710 IonicContact OE1-NH1 3.28Å; N707-R710 WeakPolarHBondContact O-CB 3.47Å; N707-R710 PolarHBondContact O-N 3.13Å; K708-R710 VanDerWaalsContact C-N 3.31Å; K708-R710 PolarHBondContact O-N 3.23Å; R710-M712 VanDerWaalsContact C-N 3.28Å; R710-M712 PolarHBondContact O-N 3.47Å |
| 711 | S | 35.5 | Very low | 33.8 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.7 | -33 | 175.4 | -175.7 | 0 | 0 | 0 | 0 | 112.6 | K708 V709 | K708-S711 PolarHBondContact O-N 2.92Å; V709-S711 VanDerWaalsContact C-N 3.32Å; V709-S711 PolarHBondContact O-N 2.93Å |
| 712 | M | 36.4 | Very low | 34 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -87.5 | -24.2 | -175.4 | -64.3 | -168.1 | 71.7 | 0 | 0 | 114 | V709 R710 S714 Q715 L716 | V709-M712 PolarHBondContact O-N 2.97Å; V709-M712 VanDerWaalsContact O-N 3.07Å; R710-M712 VanDerWaalsContact C-N 3.28Å; R710-M712 PolarHBondContact O-N 3.47Å; M712-S714 VanDerWaalsContact C-N 3.34Å; M712-S714 PolarHBondContact O-N 3.09Å; M712-Q715 WeakPolarHBondContact O-CB 3.38Å; M712-Q715 PolarHBondContact O-N 2.66Å; M712-Q715 VanDerWaalsContact O-N 3.13Å; M712-L716 PolarHBondContact O-N 3.15Å |
| 713 | A | 36 | Very low | 34 | Very low | 48 Ų | 48 | 125 Ų | 125 | 40% | 0.397 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -57.7 | -47.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V709 Q715 L716 Q717 | V709-A713 PolarHBondContact O-N 2.94Å; A713-Q715 PolarHBondContact O-N 3.3Å; A713-L716 PolarHBondContact O-N 3.34Å; A713-Q717 PolarHBondContact O-N 3.47Å |
| 714 | S | 39 | Very low | 34 | Very low | 57 Ų | 57 | 121 Ų | 121 | 40% | 0.399 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.3 | -26.8 | 175.9 | -42.1 | 0 | 0 | 0 | 0 | 113.4 | M712 L716 | M712-S714 VanDerWaalsContact C-N 3.34Å; M712-S714 PolarHBondContact O-N 3.09Å; S714-L716 VanDerWaalsContact C-N 3.34Å |
| 715 | Q | 33.7 | Very low | 33.8 | Very low | 131 Ų | 131 | 121.1 Ų | 121.1 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.6 | -15.7 | 175.3 | -95.3 | -172.2 | 2.2 | 0 | 0 | 114.1 | M712 A713 | M712-Q715 WeakPolarHBondContact O-CB 3.38Å; M712-Q715 PolarHBondContact O-N 2.66Å; M712-Q715 VanDerWaalsContact O-N 3.13Å; A713-Q715 PolarHBondContact O-N 3.3Å |
| 716 | L | 37.9 | Very low | 33.5 | Very low | 66 Ų | 66 | 121.3 Ų | 121.3 | 35% | 0.346 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -94 | -27.3 | 177.4 | -73.9 | 170.2 | 0 | 0 | 0 | 113.2 | F269 M712 A713 S714 A718 K719 F720 | F269-L716 HydrophobicContact CE1-CD1 3.75Å; F269-L716 HydrophobicContact CZ-CD1 4.12Å; M712-L716 PolarHBondContact O-N 3.15Å; A713-L716 PolarHBondContact O-N 3.34Å; S714-L716 VanDerWaalsContact C-N 3.34Å; L716-A718 VanDerWaalsContact C-N 3.33Å; L716-A718 PolarHBondContact O-N 3.45Å; L716-K719 HydrophobicContact CD2-CD 4.5Å; L716-K719 PolarHBondContact O-N 3.24Å; L716-F720 PolarHBondContact O-N 3.36Å |
| 717 | Q | 41.5 | Very low | 33.1 | Very low | 62 Ų | 62 | 120.4 Ų | 120.4 | 29% | 0.29 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -48.2 | -54.8 | 168.9 | -98.1 | 161.9 | -17.6 | 0 | 0 | 111.1 | E453 A713 K719 F720 E721 | E453-Q717 PolarHBondContact OE2-NE2 2.57Å; A713-Q717 PolarHBondContact O-N 3.47Å; Q717-K719 PolarHBondContact O-N 2.88Å; Q717-F720 PolarHBondContact O-N 2.93Å; Q717-F720 VanDerWaalsContact O-N 3.14Å; Q717-E721 PolarHBondContact O-N 3.43Å |
| 718 | A | 32.2 | Very low | 32.3 | Very low | 54 Ų | 54 | 123.6 Ų | 123.6 | 45% | 0.446 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -60.5 | -9.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | L716 N722 | L716-A718 VanDerWaalsContact C-N 3.33Å; L716-A718 PolarHBondContact O-N 3.45Å; A718-N722 PolarHBondContact O-ND2 3.01Å |
| 719 | K | 33.5 | Very low | 31.9 | Very low | 153 Ų | 153 | 122.9 Ų | 122.9 | 67% | 0.665 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -104.9 | -22.1 | 178.5 | -73.8 | -178.8 | 177.7 | 172.5 | 0 | 114.5 | L716 Q717 | L716-K719 HydrophobicContact CD2-CD 4.5Å; L716-K719 PolarHBondContact O-N 3.24Å; Q717-K719 PolarHBondContact O-N 2.88Å |
| 720 | F | 34.2 | Very low | 31.1 | Very low | 170 Ų | 170 | 127.9 Ų | 127.9 | 75% | 0.746 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -82.2 | -32 | 172.2 | -93.9 | -86.1 | 0 | 0 | 0 | 112.3 | L716 Q717 | L716-F720 PolarHBondContact O-N 3.36Å; Q717-F720 PolarHBondContact O-N 2.93Å; Q717-F720 VanDerWaalsContact O-N 3.14Å |
| 721 | E | 33.8 | Very low | 30.3 | Very low | 150 Ų | 150 | 127.1 Ų | 127.1 | 70% | 0.701 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -78.6 | -23.5 | -178.1 | -66.1 | 167.6 | 177.4 | 0 | 0 | 113.1 | Q717 K723 | Q717-E721 PolarHBondContact O-N 3.43Å; E721-K723 VanDerWaalsContact C-N 3.33Å; E721-K723 PolarHBondContact O-N 3.07Å; E721-K723 VanDerWaalsContact O-N 3.13Å |
| 722 | N | 29.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 131.9 Ų | 131.9 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | -88.5 | 51.9 | -178.3 | -85 | -62.2 | 0 | 0 | 0 | 114.1 | A718 | A718-N722 PolarHBondContact O-ND2 3.01Š| ||
| 723 | K | 25.6 | Very low | 29 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 77% | 0.77 | 67% | 0.673 | S | S | * | * | trans | -132.2 | 83.2 | 166.8 | -79.1 | -167.5 | 175 | -177 | 0 | 112.1 | E721 | E721-K723 VanDerWaalsContact C-N 3.33Å; E721-K723 PolarHBondContact O-N 3.07Å; E721-K723 VanDerWaalsContact O-N 3.13Å | ||
| 724 | S | 24.6 | Very low | 28.3 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | trans | -64.3 | 132.7 | 165.6 | 43.9 | 0 | 0 | 0 | 0 | 111.1 | Y726 | S724-Y726 PolarHBondContact O-N 3.5Š| ||
| 725 | S | 25.1 | Very low | 27.5 | Very low | 117 Ų | 117 | 139 Ų | 139 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | trans | -81.9 | 114.2 | -179.4 | -46.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 726 | Y | 24.1 | Very low | 26.9 | Very low | 206 Ų | 206 | 141.1 Ų | 141.1 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | trans | -82 | 127 | 169.3 | -84.1 | -84.7 | 0 | 0 | 0 | 110.8 | S724 | S724-Y726 PolarHBondContact O-N 3.5Š| ||
| 727 | T | 22.2 | Very low | 26.1 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 77% | 0.773 | 74% | 0.74 | S | S | * | * | trans | -91.5 | 118.2 | 177.2 | -55.1 | 0 | 0 | 0 | 0 | 109.1 | Q729 | T727-Q729 PolarHBondContact O-N 2.96Š| ||
| 728 | F | 23 | Very low | 25.2 | Very low | 198 Ų | 198 | 146 Ų | 146 | 87% | 0.868 | 77% | 0.765 | S | S | * | * | trans | -82.8 | 109.1 | 170.6 | -94.4 | -83.1 | 0 | 0 | 0 | 110.4 | ||||
| 729 | Q | 22.7 | Very low | 24.7 | Very low | 176 Ų | 176 | 148 Ų | 148 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -77.7 | 132.8 | 158.1 | -68.9 | 177.2 | -60.4 | 0 | 0 | 108.5 | T727 | T727-Q729 PolarHBondContact O-N 2.96Š| ||
| 730 | K | 23.6 | Very low | 24.1 | Very low | 208 Ų | 208 | 146.7 Ų | 146.7 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | trans | -98.7 | 111.9 | 163.5 | -98.9 | -171.2 | 171.2 | -173.4 | 0 | 108.5 | ||||
| 731 | T | 22.6 | Very low | 23.5 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -81.2 | 154.7 | 156.6 | -29.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 732 | Q | 22.8 | Very low | 23.9 | Very low | 183 Ų | 183 | 143.7 Ų | 143.7 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -124.2 | 177.2 | 177.1 | -163.5 | 167.8 | -1.5 | 0 | 0 | 108.2 | ||||
| 733 | S | 21.3 | Very low | 23.6 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 66% | 0.664 | 78% | 0.783 | S | S | * | * | trans | 77 | 136.9 | -173.5 | 133.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 734 | D | 21.6 | Very low | 23.6 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | cis | -150.5 | 153.1 | -10.8 | -81.8 | -45.3 | 0 | 0 | 0 | 111.2 | ||||
| 735 | C | 21.4 | Very low | 23.6 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | trans | -166.9 | 146.5 | 133.8 | -152.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 736 | E | 21.5 | Very low | 23.6 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | -70.4 | 178.9 | 176.3 | -65.7 | 164.8 | 170.2 | 0 | 0 | 113.6 | ||||
| 737 | S | 22.4 | Very low | 23.7 | Very low | 97 Ų | 97 | 144.6 Ų | 144.6 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | cis | -170.5 | -165.4 | -32 | 63.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 738 | V | 21.9 | Very low | 23.7 | Very low | 134 Ų | 134 | 145.7 Ų | 145.7 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | trans | 71.2 | 138.5 | 171.3 | -178.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 739 | S | 21.4 | Very low | 23.9 | Very low | 96 Ų | 96 | 143.6 Ų | 143.6 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | cis | -167.4 | 140 | -24.5 | 59.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 740 | V | 22 | Very low | 23.8 | Very low | 126 Ų | 126 | 143 Ų | 143 | 76% | 0.764 | 77% | 0.774 | S | S | * | * | trans | 52.2 | 102.2 | 133.4 | -175.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 741 | L | 20 | Very low | 24.4 | Very low | 163 Ų | 163 | 137.6 Ų | 137.6 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | 54.2 | 173.4 | 126.3 | -76.6 | 171.5 | 0 | 0 | 0 | 122.7 | |||||
| 742 | P | 41.8 | Very low | 24.5 | Very low | 94 Ų | 94 | 137 Ų | 137 | 61% | 0.61 | 76% | 0.756 | S | S | * | * | cis | -135.5 | -167.9 | -13.1 | 31.9 | -9.1 | 0 | 0 | 0 | 116.2 | ||||
| 743 | N | 24.7 | Very low | 24.5 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | trans | 82.8 | 142.1 | 153 | -66.7 | -11.3 | 0 | 0 | 0 | 120.1 | ||||
| 744 | L | 24.9 | Very low | 24.9 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | cis | -150.9 | 171.8 | -7.7 | -151.1 | 75 | 0 | 0 | 0 | 112 | ||||
| 745 | N | 25.3 | Very low | 25.1 | Very low | 136 Ų | 136 | 147.3 Ų | 147.3 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -76.7 | -170.7 | 173.7 | -51 | -38.4 | 0 | 0 | 0 | 111.9 | ||||
| 746 | Q | 25.3 | Very low | 25.3 | Very low | 158 Ų | 158 | 146.4 Ų | 146.4 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | cis | -172.5 | 160.1 | 16.1 | -151 | 159.9 | -14.9 | 0 | 0 | 109.7 | ||||
| 747 | I | 25 | Very low | 25.8 | Very low | 171 Ų | 171 | 144.3 Ų | 144.3 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | trans | -172 | 154.3 | 145.1 | -79.9 | -134.5 | 0 | 0 | 0 | 108.8 | ||||
| 748 | E | 23.2 | Very low | 26.2 | Very low | 149 Ų | 149 | 146 Ų | 146 | 70% | 0.696 | 78% | 0.775 | S | S | * | * | trans | -104.2 | 149.7 | -165.8 | -63.9 | 173.2 | 115.6 | 0 | 0 | 113.8 | ||||
| 749 | L | 26.4 | Very low | 26.7 | Very low | 153 Ų | 153 | 144.8 Ų | 144.8 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | 48.9 | 143.8 | 95.2 | -48.2 | 171.7 | 0 | 0 | 0 | 115.6 | |||||
| 750 | Q | 21.4 | Very low | 27.4 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | cis | -155.6 | -140.8 | 3.5 | -137.8 | -154.8 | 101.3 | 0 | 0 | 107.6 | ||||
| 751 | P | 35.7 | Very low | 27.9 | Very low | 95 Ų | 95 | 149.9 Ų | 149.9 | 62% | 0.617 | 78% | 0.782 | S | S | * | * | cis | -129.9 | 178.5 | -25.1 | 30.2 | -7.8 | 0 | 0 | 0 | 115.8 | ||||
| 752 | V | 23.8 | Very low | 28.4 | Very low | 127 Ų | 127 | 147.7 Ų | 147.7 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 58.8 | 150.5 | 159.2 | -83 | 0 | 0 | 0 | 0 | 121 | ||||
| 753 | R | 23.2 | Very low | 28 | Very low | 236 Ų | 236 | 147.4 Ų | 147.4 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | cis | -130.7 | 156.9 | 10.3 | -72.6 | -173.2 | 169.6 | 168 | -2.4 | 113.4 | ||||
| 754 | I | 29.3 | Very low | 28.7 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | trans | -99.3 | 150.2 | 169.5 | -64.7 | 168.4 | 0 | 0 | 0 | 110.6 | ||||
| 755 | R | 25.4 | Very low | 29.3 | Very low | 245 Ų | 245 | 145.2 Ų | 145.2 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | -147.8 | 154.6 | 156.3 | -120.2 | -177.4 | -176.7 | -169 | 0.1 | 112.2 | ||||
| 756 | S | 26.4 | Very low | 30.1 | Very low | 106 Ų | 106 | 142.5 Ų | 142.5 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | -87.5 | 176.2 | -164.6 | -30.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 757 | P | 32.1 | Very low | 30.7 | Very low | 129 Ų | 129 | 142.3 Ų | 142.3 | 84% | 0.838 | 76% | 0.76 | S | S | * | * | trans | -76.6 | 163.8 | -161.9 | 31.9 | -36.3 | 0 | 0 | 0 | 115.2 | ||||
| 758 | V | 32.1 | Very low | 31.3 | Very low | 134 Ų | 134 | 141 Ų | 141 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | trans | -109.2 | 144.6 | -177.8 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 759 | P | 32.3 | Very low | 32.2 | Very low | 108 Ų | 108 | 139.7 Ų | 139.7 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 162.3 | -174.1 | -19.1 | 33.3 | 0 | 0 | 0 | 114.9 | ||
| 760 | P | 34.9 | Very low | 32.8 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 83% | 0.831 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -67 | 146.9 | 176.1 | 28.9 | -35.7 | 0 | 0 | 0 | 112.5 | ||
| 761 | K | 32.1 | Very low | 33.9 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 87% | 0.87 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 144.4 | 168.1 | -77.1 | -178.2 | 175.1 | 177.6 | 0 | 110.7 | ||
| 762 | P | 31.5 | Very low | 34.4 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 163.3 | -178.9 | 30.6 | -36.3 | 0 | 0 | 0 | 113.2 | ||
| 763 | S | 33.8 | Very low | 35.4 | Very low | 89 Ų | 89 | 139.1 Ų | 139.1 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 149 | -176.6 | 55.7 | 0 | 0 | 0 | 0 | 114 | M765 | S763-M765 VanDerWaalsContact C-N 3.26Å; S763-M765 PolarHBondContact O-N 3.1Å; S763-M765 VanDerWaalsContact O-N 3.16Å |
| 764 | S | 38.2 | Very low | 36.1 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -11 | -171.1 | 45.6 | 0 | 0 | 0 | 0 | 115.9 | T766 | S764-T766 PolarHBondContact O-N 2.86Š|
| 765 | M | 38.3 | Very low | 36.8 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | -178.3 | -74.1 | -93.2 | 69.4 | 0 | 0 | 113.3 | S763 Q767 F768 | S763-M765 VanDerWaalsContact C-N 3.26Å; S763-M765 PolarHBondContact O-N 3.1Å; S763-M765 VanDerWaalsContact O-N 3.16Å; M765-Q767 VanDerWaalsContact C-N 3.29Å; M765-Q767 PolarHBondContact O-N 3.07Å; M765-F768 PolarHBondContact O-N 3.49Å |
| 766 | T | 42.8 | Very low | 37.7 | Very low | 78 Ų | 78 | 121 Ų | 121 | 48% | 0.479 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -79.6 | -3.4 | -170.3 | 57.6 | 0 | 0 | 0 | 0 | 115.4 | S764 | S764-T766 PolarHBondContact O-N 2.86Å |
| 767 | Q | 36.2 | Very low | 38.3 | Very low | 154 Ų | 154 | 122.4 Ų | 122.4 | 72% | 0.72 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -90.3 | -25.2 | 171.5 | -74 | -173.2 | -35.7 | 0 | 0 | 113 | M765 | M765-Q767 VanDerWaalsContact C-N 3.29Å; M765-Q767 PolarHBondContact O-N 3.07Å |
| 768 | F | 37.5 | Very low | 38.8 | Very low | 145 Ų | 145 | 124.3 Ų | 124.3 | 64% | 0.636 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.3 | -47.2 | -175.5 | -153 | -106.4 | 0 | 0 | 0 | 111.9 | M765 K770 S771 I772 | M765-F768 PolarHBondContact O-N 3.49Å; F768-K770 VanDerWaalsContact C-N 3.3Å; F768-K770 PolarHBondContact O-N 2.92Å; F768-S771 PolarHBondContact O-N 3.28Å; F768-I772 HydrophobicContact CD1-CD1 3.79Å; F768-I772 HydrophobicContact CE1-CD1 3.85Å; F768-I772 PolarHBondContact O-N 3.15Å |
| 769 | E | 42.7 | Very low | 39.3 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 57% | 0.565 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -60.4 | -36 | 178.8 | -64.2 | -170.5 | 107 | 0 | 0 | 113.4 | S771 I772 R773 | E769-S771 VanDerWaalsContact C-N 3.33Å; E769-S771 PolarHBondContact O-N 3.38Å; E769-I772 PolarHBondContact O-N 3.06Å; E769-R773 PolarHBondContact O-N 2.81Å; E769-R773 VanDerWaalsContact O-N 3.11Å |
| 770 | K | 40 | Very low | 39.6 | Very low | 163 Ų | 163 | 123.8 Ų | 123.8 | 71% | 0.709 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -69.4 | -30.1 | -179.6 | -72.5 | -173.1 | 177.1 | -179.3 | 0 | 112.7 | F768 K774 | F768-K770 VanDerWaalsContact C-N 3.3Å; F768-K770 PolarHBondContact O-N 2.92Å; K770-K774 WeakPolarHBondContact O-CB 3.48Å; K770-K774 PolarHBondContact O-N 3.07Å |
| 771 | S | 44 | Very low | 39.8 | Very low | 83 Ų | 83 | 124.4 Ų | 124.4 | 58% | 0.58 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -72 | -40.5 | 171.9 | -67 | 0 | 0 | 0 | 0 | 111.9 | F768 E769 K774 A775 | F768-S771 PolarHBondContact O-N 3.28Å; E769-S771 VanDerWaalsContact C-N 3.33Å; E769-S771 PolarHBondContact O-N 3.38Å; S771-K774 PolarHBondContact O-N 2.75Å; S771-A775 PolarHBondContact O-N 2.98Å; S771-A775 VanDerWaalsContact O-N 3.07Å |
| 772 | I | 46.4 | Very low | 39.9 | Very low | 102 Ų | 102 | 123 Ų | 123 | 52% | 0.523 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -64.4 | -46.3 | -179.4 | -65.5 | 173.1 | 0 | 0 | 0 | 111.3 | F768 E769 K774 A775 A776 | F768-I772 HydrophobicContact CD1-CD1 3.79Å; F768-I772 HydrophobicContact CE1-CD1 3.85Å; F768-I772 PolarHBondContact O-N 3.15Å; E769-I772 PolarHBondContact O-N 3.06Å; I772-K774 VanDerWaalsContact C-N 3.33Å; I772-K774 PolarHBondContact O-N 2.89Å; I772-A775 PolarHBondContact O-N 2.95Å; I772-A776 PolarHBondContact O-N 3.2Å |
| 773 | R | 43.6 | Very low | 40.1 | Very low | 177 Ų | 177 | 122.9 Ų | 122.9 | 67% | 0.668 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -60.9 | -42 | 177 | -68.8 | -171.7 | -174.9 | -171.4 | 3.2 | 112.2 | E769 A775 A776 E777 | E769-R773 PolarHBondContact O-N 2.81Å; E769-R773 VanDerWaalsContact O-N 3.11Å; R773-A775 VanDerWaalsContact C-N 3.3Å; R773-A775 PolarHBondContact O-N 2.94Å; R773-A776 PolarHBondContact O-N 2.91Å; R773-A776 VanDerWaalsContact O-N 3.17Å; R773-E777 PolarHBondContact O-N 2.72Å; R773-E777 VanDerWaalsContact O-N 3.12Å |
| 774 | K | 39.6 | Very low | 40.3 | Very low | 147 Ų | 147 | 124.6 Ų | 124.6 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -68.9 | -26 | -179.4 | -154.1 | 174 | -171.8 | -177.8 | 0 | 113.5 | K770 S771 I772 | K770-K774 WeakPolarHBondContact O-CB 3.48Å; K770-K774 PolarHBondContact O-N 3.07Å; S771-K774 PolarHBondContact O-N 2.75Å; I772-K774 VanDerWaalsContact C-N 3.33Å; I772-K774 PolarHBondContact O-N 2.89Å |
| 775 | A | 43.5 | Very low | 39.9 | Very low | 56 Ų | 56 | 129.7 Ų | 129.7 | 46% | 0.463 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -76.6 | -37.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S771 I772 R773 Q778 | S771-A775 PolarHBondContact O-N 2.98Å; S771-A775 VanDerWaalsContact O-N 3.07Å; I772-A775 PolarHBondContact O-N 2.95Å; R773-A775 VanDerWaalsContact C-N 3.3Å; R773-A775 PolarHBondContact O-N 2.94Å; A775-Q778 PolarHBondContact O-N 3.2Å |
| 776 | A | 44.2 | Very low | 39.6 | Very low | 63 Ų | 63 | 129.5 Ų | 129.5 | 52% | 0.521 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -64.9 | -40.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I772 R773 Q778 L779 | I772-A776 PolarHBondContact O-N 3.2Å; R773-A776 PolarHBondContact O-N 2.91Å; R773-A776 VanDerWaalsContact O-N 3.17Å; A776-Q778 PolarHBondContact O-N 2.72Å; A776-L779 PolarHBondContact O-N 2.71Å |
| 777 | E | 39.2 | Very low | 38.9 | Very low | 137 Ų | 137 | 134 Ų | 134 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -63.6 | -26.6 | 178.9 | -71.6 | 169.5 | 169.1 | 0 | 0 | 113.3 | R773 | R773-E777 PolarHBondContact O-N 2.72Å; R773-E777 VanDerWaalsContact O-N 3.12Å |
| 778 | Q | 41.6 | Very low | 38.7 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -12.1 | 179.3 | -70.2 | -170.4 | -33.9 | 0 | 0 | 114.3 | A775 A776 | A775-Q778 PolarHBondContact O-N 3.2Å; A776-Q778 PolarHBondContact O-N 2.72Å |
| 779 | L | 42.5 | Very low | 38.6 | Very low | 157 Ų | 157 | 134 Ų | 134 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -5.8 | 178.7 | -86.7 | 160 | 0 | 0 | 0 | 114.1 | A776 | A776-L779 PolarHBondContact O-N 2.71Š|
| 780 | A | 39.8 | Very low | 38 | Very low | 74 Ų | 74 | 134.2 Ų | 134.2 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -87.3 | -11.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 781 | N | 38.1 | Very low | 37.2 | Very low | 141 Ų | 141 | 134.9 Ų | 134.9 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | -130.2 | 71.9 | -163.8 | -77.6 | -54.7 | 0 | 0 | 0 | 115 | ||||
| 782 | L | 35.5 | Very low | 36.5 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 89% | 0.89 | 74% | 0.737 | S | S | * | * | trans | -142 | 133.9 | 155.6 | -80.3 | -178 | 0 | 0 | 0 | 111.1 | ||||
| 783 | P | 34.6 | Very low | 35.5 | Very low | 115 Ų | 115 | 144.8 Ų | 144.8 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | trans | -83.8 | 159.7 | -176.1 | 33.7 | -36 | 0 | 0 | 0 | 113.7 | ||||
| 784 | P | 38.1 | Very low | 35.1 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | trans | -83.1 | 148.3 | -167.1 | 32.6 | -36.7 | 0 | 0 | 0 | 114.9 | ||||
| 785 | K | 30.9 | Very low | 34.6 | Very low | 211 Ų | 211 | 143.3 Ų | 143.3 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | -135.9 | 138.2 | 158.2 | -74.1 | -172.3 | 175.8 | 179.3 | 0 | 110.2 | ||||
| 786 | T | 31.6 | Very low | 34.7 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | -102.2 | 153.8 | -172.2 | 47.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 787 | L | 27.8 | Very low | 33.7 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 90% | 0.901 | 79% | 0.792 | S | S | * | * | trans | -174.9 | 170.4 | 146.4 | -98 | 163.7 | 0 | 0 | 0 | 108.7 | ||||
| 788 | P | 32.2 | Very low | 33.4 | Very low | 113 Ų | 113 | 152.5 Ų | 152.5 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | -123.9 | -177.1 | -125.1 | 43.8 | -31.2 | 0 | 0 | 0 | 117.6 | |||||
| 789 | K | 34 | Very low | 33.7 | Very low | 188 Ų | 188 | 150.3 Ų | 150.3 | 82% | 0.817 | 80% | 0.799 | S | S | * | * | trans | -66.5 | 157.7 | 175.8 | -64.8 | 176.2 | 175.3 | 175.8 | 0 | 114.6 | ||||
| 790 | P | 31.2 | Very low | 33.1 | Very low | 124 Ų | 124 | 151.2 Ų | 151.2 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -114.4 | 163.5 | 146.6 | 36.5 | -27.5 | 0 | 0 | 0 | 113.8 | ||||
| 791 | Q | 24 | Very low | 32.6 | Very low | 178 Ų | 178 | 155 Ų | 155 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -142.8 | 166.1 | 171.2 | -91.8 | -169.6 | -33.5 | 0 | 0 | 112.4 | ||||
| 792 | L | 28.6 | Very low | 32 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | -56.3 | 157.1 | -167.8 | -56.5 | 79.1 | 0 | 0 | 0 | 118 | ||||
| 793 | R | 24.9 | Very low | 31.5 | Very low | 243 Ų | 243 | 152.7 Ų | 152.7 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | -178.3 | 171.6 | 109.7 | -95 | -172.7 | 176.1 | -160 | -1.6 | 114.1 | |||||
| 794 | P | 35.9 | Very low | 31.1 | Very low | 110 Ų | 110 | 156.6 Ų | 156.6 | 71% | 0.714 | 81% | 0.808 | S | S | * | * | trans | -131.5 | 161.7 | -155.6 | 43.4 | -29.8 | 0 | 0 | 0 | 120.2 | ||||
| 795 | Q | 28.5 | Very low | 30.6 | Very low | 183 Ų | 183 | 158.2 Ų | 158.2 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | trans | 55.6 | 172.9 | 149 | -83.9 | -155 | 14 | 0 | 0 | 121.4 | ||||
| 796 | P | 44.8 | Very low | 30.5 | Very low | 95 Ų | 95 | 158.7 Ų | 158.7 | 62% | 0.617 | 81% | 0.806 | S | S | * | * | cis | -134 | -179.6 | -2.9 | 32.6 | -10.8 | 0 | 0 | 0 | 117.1 | ||||
| 797 | Q | 24.1 | Very low | 30.3 | Very low | 187 Ų | 187 | 159.7 Ų | 159.7 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | 158.6 | 172.4 | 129.3 | -79.7 | -166.9 | 11.2 | 0 | 0 | 116.4 | |||||
| 798 | H | 32.2 | Very low | 30.3 | Very low | 167 Ų | 167 | 158.2 Ų | 158.2 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -106 | -173.9 | -151.4 | -78.8 | -66.5 | 0 | 0 | 0 | 115.8 | ||||
| 799 | P | 48.8 | Very low | 30.1 | Very low | 123 Ų | 123 | 159.1 Ų | 159.1 | 80% | 0.799 | 80% | 0.797 | S | S | * | * | cis | -142.6 | -163.1 | 17 | 43.4 | -20.2 | 0 | 0 | 0 | 119.6 | ||||
| 800 | F | 29.7 | Very low | 29.9 | Very low | 175 Ų | 175 | 159.1 Ų | 159.1 | 77% | 0.768 | 80% | 0.8 | S | S | * | * | trans | -100.7 | 173.4 | -171.7 | -82.2 | -102.1 | 0 | 0 | 0 | 114 | ||||
| 801 | L | 28.7 | Very low | 29.8 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | -175.1 | 137.9 | 72.9 | -80.9 | 166.7 | 0 | 0 | 0 | 116.6 | |||||
| 802 | V | 26.1 | Very low | 30 | Very low | 122 Ų | 122 | 156.6 Ų | 156.6 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | 40.8 | 131.1 | 133 | -174.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 803 | V | 25.6 | Very low | 29.9 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | -175.9 | 167.4 | 127.3 | 145.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 804 | K | 24.7 | Very low | 30.1 | Very low | 196 Ų | 196 | 149.8 Ų | 149.8 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -112.9 | 166.8 | -172.5 | -77.2 | -179.7 | 176.9 | 174.3 | 0 | 115.3 | ||||
| 805 | L | 28.8 | Very low | 29.5 | Very low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -52.4 | 154.1 | 175.3 | -55.6 | 93.9 | 0 | 0 | 0 | 116.7 | ||||
| 806 | R | 28.9 | Very low | 29.4 | Very low | 221 Ų | 221 | 147.2 Ų | 147.2 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | 178.1 | 147.6 | 109.4 | -96.4 | 174 | -177.3 | -162.2 | 1.1 | 115.4 | |||||
| 807 | H | 27.2 | Very low | 29.1 | Very low | 153 Ų | 153 | 147.7 Ų | 147.7 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | 28.4 | 148.8 | 154.2 | -50 | 126 | 0 | 0 | 0 | 124.3 | ||||
| 808 | V | 28.2 | Very low | 29 | Very low | 141 Ų | 141 | 147 Ų | 147 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | -169.1 | 160.8 | 115.3 | 143.6 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 809 | D | 26.5 | Very low | 29.7 | Very low | 132 Ų | 132 | 144 Ų | 144 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -106.8 | 176 | -166.9 | -57.5 | -94.9 | 0 | 0 | 0 | 115.9 | ||||
| 810 | Q | 30.8 | Very low | 28.7 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | 69.7 | 160.4 | 153.9 | -71 | 167.4 | 13.1 | 0 | 0 | 119.2 | ||||
| 811 | A | 28.5 | Very low | 28.6 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 62% | 0.62 | 76% | 0.759 | S | S | * | * | cis | -172.7 | 168.5 | -29.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 812 | L | 28.2 | Very low | 28.5 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 91% | 0.906 | 76% | 0.759 | S | S | * | * | trans | 65.2 | 159.3 | 165 | -91.9 | 70 | 0 | 0 | 0 | 116.7 | ||||
| 813 | A | 27.5 | Very low | 28.5 | Very low | 70 Ų | 70 | 145.1 Ų | 145.1 | 58% | 0.579 | 76% | 0.761 | S | S | * | * | cis | -157.8 | 170.5 | -15.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 814 | E | 28.3 | Very low | 29.5 | Very low | 180 Ų | 180 | 143.6 Ų | 143.6 | 84% | 0.841 | 75% | 0.754 | S | S | * | * | trans | 33.4 | 144 | 132.5 | -66.1 | 174.4 | -149.8 | 0 | 0 | 121.6 | ||||
| 815 | T | 24.4 | Very low | 29.7 | Very low | 117 Ų | 117 | 143 Ų | 143 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | cis | -164.2 | 167.9 | 2.5 | -98.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 816 | T | 24.8 | Very low | 30.7 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -52.9 | -176.6 | 170.1 | 10.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 817 | P | 38.8 | Very low | 31.3 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | cis | -138.9 | 168.9 | -3.7 | 37.7 | -17.8 | 0 | 0 | 0 | 118.2 | ||||
| 818 | Q | 23 | Very low | 31.5 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 80% | 0.799 | 75% | 0.754 | S | S | * | * | trans | 41.9 | 162.9 | 133.2 | -64 | -72.6 | -2.1 | 0 | 0 | 122.8 | ||||
| 819 | P | 46.7 | Very low | 31.9 | Very low | 104 Ų | 104 | 132.5 Ų | 132.5 | 68% | 0.675 | 75% | 0.753 | S | S | * | * | cis | -129.6 | -140.9 | -17.7 | 39.9 | -19.3 | 0 | 0 | 0 | 110.6 | ||||
| 820 | E | 26.7 | Very low | 32.6 | Very low | 135 Ų | 135 | 131 Ų | 131 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | cis | -149.3 | 157.2 | -13.4 | -125.1 | -150.1 | 153.8 | 0 | 0 | 109.6 | ||||
| 821 | R | 27.3 | Very low | 33.1 | Very low | 179 Ų | 179 | 126.3 Ų | 126.3 | 68% | 0.675 | 74% | 0.736 | S | S | * | * | trans | 57.7 | 142.5 | 149.9 | -70.3 | -171.7 | -157.9 | 178.9 | 19.6 | 126.4 | ||||
| 822 | E | 27.8 | Very low | 33.9 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 78 | 157.4 | 144.4 | -75.1 | 162.9 | -139.3 | 0 | 0 | 120.8 | ||||
| 823 | S | 25.3 | Very low | 34.9 | Very low | 111 Ų | 111 | 124.1 Ų | 124.1 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | -150.8 | -178.7 | -156.6 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 824 | P | 47.9 | Very low | 35.8 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 70% | 0.701 | 72% | 0.72 | S | S | * | * | cis | -131 | 172.6 | -7.9 | 40.2 | -24.6 | 0 | 0 | 0 | 114.6 | ||||
| 825 | E | 28.2 | Very low | 36.4 | Very low | 184 Ų | 184 | 124.2 Ų | 124.2 | 86% | 0.86 | 71% | 0.714 | S | S | * | * | 160.7 | 155.9 | 128.9 | -83.4 | -139.6 | 136.7 | 0 | 0 | 112.5 | |||||
| 826 | P | 48.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 122.9 Ų | 122.9 | 72% | 0.721 | 71% | 0.71 | S | S | * | * | trans | -97.6 | 165.6 | -168.5 | 38.6 | -36.1 | 0 | 0 | 0 | 114.5 | ||||
| 827 | P | 42.5 | Very low | 39 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | -145.7 | 166.7 | 115.8 | 38.1 | -24.8 | 0 | 0 | 0 | 116.6 | |||||
| 828 | A | 32.3 | Very low | 39.9 | Very low | 104 Ų | 104 | 119.6 Ų | 119.6 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | trans | 65.8 | 125.1 | 158.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 829 | S | 35.7 | Very low | 41.4 | Very low | 117 Ų | 117 | 114.8 Ų | 114.8 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -105.1 | 136 | 175.1 | 53.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 830 | P | 41.4 | Very low | 42.1 | Very low | 100 Ų | 100 | 116 Ų | 116 | 65% | 0.649 | 67% | 0.668 | S | S | * | * | trans | -82.5 | 164 | 177.6 | 31.5 | -34.2 | 0 | 0 | 0 | 114 | ||||
| 831 | P | 41.4 | Very low | 43.7 | Very low | 89 Ų | 89 | 114.6 Ų | 114.6 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | trans | -65.1 | 162.1 | -169.8 | 22.5 | -34 | 0 | 0 | 0 | 116.6 | S833 | P831-S833 PolarHBondContact O-N 2.86Š| ||
| 832 | P | 44.3 | Very low | 45.4 | Very low | 108 Ų | 108 | 110 Ų | 110 | 70% | 0.701 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.1 | -17.4 | -158 | 25.6 | -35.6 | 0 | 0 | 0 | 117.1 | C834 R835 | P832-C834 PolarHBondContact O-N 3.42Å; P832-R835 WeakPolarHBondContact O-CB 3.09Å; P832-R835 PolarHBondContact O-N 2.76Å |
| 833 | S | 50.3 | Low | 46.9 | Very low | 94 Ų | 94 | 110.6 Ų | 110.6 | 66% | 0.657 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.9 | -40.4 | 179.3 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | P831 R835 | P831-S833 PolarHBondContact O-N 2.86Å; S833-R835 VanDerWaalsContact C-N 3.32Å; S833-R835 PolarHBondContact O-N 3.36Å |
| 834 | C | 45.1 | Very low | 49 | Very low | 63 Ų | 63 | 107.4 Ų | 107.4 | 43% | 0.426 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67 | -32.9 | 176.1 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | P832 S836 A837 I838 | P832-C834 PolarHBondContact O-N 3.42Å; C834-S836 VanDerWaalsContact C-N 3.3Å; C834-S836 PolarHBondContact O-N 3.04Å; C834-A837 PolarHBondContact O-N 3.09Å; C834-I838 HydrophobicContact CB-CD1 4.17Å; C834-I838 WeakPolarHBondContact O-CB 3.44Å; C834-I838 VanDerWaalsContact O-CG1 3.25Å; C834-I838 WeakPolarHBondContact O-CG1 3.35Å; C834-I838 PolarHBondContact O-N 2.56Å |
| 835 | R | 42.1 | Very low | 49.8 | Very low | 189 Ų | 189 | 107 Ų | 107 | 71% | 0.713 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -62.8 | -35.7 | -175.1 | -158.6 | 175.2 | -170.6 | 176.9 | 3.4 | 112.5 | P832 S833 C839 | P832-R835 WeakPolarHBondContact O-CB 3.09Å; P832-R835 PolarHBondContact O-N 2.76Å; S833-R835 VanDerWaalsContact C-N 3.32Å; S833-R835 PolarHBondContact O-N 3.36Å; R835-C839 WeakPolarHBondContact O-CB 3.34Å; R835-C839 PolarHBondContact O-N 3.36Å; R835-C839 PolarHBondContact O-SG 2.85Å |
| 836 | S | 52.5 | Low | 51.4 | Low | 90 Ų | 90 | 103.4 Ų | 103.4 | 63% | 0.629 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -64 | -52.1 | 174.7 | -177.7 | 0 | 0 | 0 | 0 | 112 | C834 I838 C839 F840 | C834-S836 VanDerWaalsContact C-N 3.3Å; C834-S836 PolarHBondContact O-N 3.04Å; S836-I838 PolarHBondContact O-N 3.26Å; S836-C839 PolarHBondContact O-N 2.85Å; S836-F840 PolarHBondContact O-N 3.09Å |
| 837 | A | 50.2 | Low | 52 | Low | 59 Ų | 59 | 105.2 Ų | 105.2 | 49% | 0.488 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62.6 | -40.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | C834 F840 M841 | C834-A837 PolarHBondContact O-N 3.09Å; A837-F840 PolarHBondContact O-N 3.44Å; A837-M841 WeakPolarHBondContact O-CB 3.32Å; A837-M841 WeakPolarHBondContact O-CG 3.47Å; A837-M841 PolarHBondContact O-N 3.38Å |
| 838 | I | 58.5 | Low | 52.8 | Low | 99 Ų | 99 | 104.5 Ų | 104.5 | 51% | 0.508 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -62.1 | -52 | 175.3 | -68.6 | 165.1 | 0 | 0 | 0 | 110.1 | C834 S836 F840 M841 T842 | C834-I838 HydrophobicContact CB-CD1 4.17Å; C834-I838 WeakPolarHBondContact O-CB 3.44Å; C834-I838 VanDerWaalsContact O-CG1 3.25Å; C834-I838 WeakPolarHBondContact O-CG1 3.35Å; C834-I838 PolarHBondContact O-N 2.56Å; S836-I838 PolarHBondContact O-N 3.26Å; I838-F840 VanDerWaalsContact C-N 3.28Å; I838-F840 PolarHBondContact O-N 3.02Å; I838-M841 PolarHBondContact O-N 3.11Å; I838-M841 VanDerWaalsContact O-N 3.15Å; I838-T842 WeakPolarHBondContact O-CB 3.43Å; I838-T842 PolarHBondContact O-N 3.23Å; I838-T842 PolarHBondContact O-OG1 2.99Å |
| 839 | C | 53.6 | Low | 54.1 | Low | 70 Ų | 70 | 108.7 Ų | 108.7 | 47% | 0.473 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.3 | -33.5 | 178.7 | -73.2 | 0 | 0 | 0 | 0 | 113.3 | R835 S836 R843 | R835-C839 WeakPolarHBondContact O-CB 3.34Å; R835-C839 PolarHBondContact O-N 3.36Å; R835-C839 PolarHBondContact O-SG 2.85Å; S836-C839 PolarHBondContact O-N 2.85Å; C839-R843 WeakPolarHBondContact O-CB 3.36Å; C839-R843 WeakPolarHBondContact O-CG 3.28Å; C839-R843 PolarHBondContact O-N 3.18Å; C839-R843 VanDerWaalsContact O-N 3.08Å |
| 840 | F | 62.8 | Low | 55.5 | Low | 129 Ų | 129 | 107 Ų | 107 | 57% | 0.566 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -51.7 | 171.8 | -178.7 | -94.4 | 0 | 0 | 0 | 111.4 | S836 A837 I838 T842 R843 V844 | S836-F840 PolarHBondContact O-N 3.09Å; A837-F840 PolarHBondContact O-N 3.44Å; I838-F840 VanDerWaalsContact C-N 3.28Å; I838-F840 PolarHBondContact O-N 3.02Å; F840-T842 VanDerWaalsContact C-N 3.33Å; F840-T842 PolarHBondContact O-N 3.41Å; F840-R843 CarbonylContact O-C 3.56Å; F840-R843 PolarHBondContact O-N 2.97Å; F840-R843 VanDerWaalsContact O-N 3.09Å; F840-V844 HydrophobicContact CD1-CG2 4.18Å; F840-V844 HydrophobicContact CE1-CG2 3.8Å; F840-V844 HydrophobicContact CZ-CG2 4.07Å; F840-V844 WeakPolarHBondContact O-CG2 3.25Å; F840-V844 PolarHBondContact O-N 3.44Å |
| 841 | M | 60.3 | Low | 56.7 | Low | 106 Ų | 106 | 106.5 Ų | 106.5 | 52% | 0.522 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 178.8 | -69.5 | -62.2 | -72 | 0 | 0 | 112.3 | A837 I838 V844 L845 | A837-M841 WeakPolarHBondContact O-CB 3.32Å; A837-M841 WeakPolarHBondContact O-CG 3.47Å; A837-M841 PolarHBondContact O-N 3.38Å; I838-M841 PolarHBondContact O-N 3.11Å; I838-M841 VanDerWaalsContact O-N 3.15Å; M841-V844 PolarHBondContact O-N 2.93Å; M841-L845 WeakPolarHBondContact O-CB 3.49Å; M841-L845 WeakPolarHBondContact O-CG 3.34Å; M841-L845 PolarHBondContact O-N 3.31Å |
| 842 | T | 61.8 | Low | 57.8 | Low | 82 Ų | 82 | 106.9 Ų | 106.9 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 171.8 | -55 | 0 | 0 | 0 | 0 | 111.6 | I838 F840 V844 L845 H846 | I838-T842 WeakPolarHBondContact O-CB 3.43Å; I838-T842 PolarHBondContact O-N 3.23Å; I838-T842 PolarHBondContact O-OG1 2.99Å; F840-T842 VanDerWaalsContact C-N 3.33Å; F840-T842 PolarHBondContact O-N 3.41Å; T842-V844 VanDerWaalsContact C-N 3.31Å; T842-V844 PolarHBondContact O-N 3.42Å; T842-L845 PolarHBondContact O-N 2.91Å; T842-H846 WeakPolarHBondContact O-CB 3.24Å; T842-H846 PolarHBondContact O-N 3Å |
| 843 | R | 60.9 | Low | 59 | Low | 188 Ų | 188 | 108 Ų | 108 | 71% | 0.709 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.9 | -21.7 | 174.7 | -80.2 | -177.3 | 170.7 | -175.6 | -2.4 | 114.3 | C839 F840 R847 | C839-R843 WeakPolarHBondContact O-CB 3.36Å; C839-R843 WeakPolarHBondContact O-CG 3.28Å; C839-R843 PolarHBondContact O-N 3.18Å; C839-R843 VanDerWaalsContact O-N 3.08Å; F840-R843 CarbonylContact O-C 3.56Å; F840-R843 PolarHBondContact O-N 2.97Å; F840-R843 VanDerWaalsContact O-N 3.09Å; R843-R847 PolarHBondContact O-NE 3.14Å |
| 844 | V | 68.1 | Low | 59.8 | Low | 43 Ų | 43 | 109.1 Ų | 109.1 | 26% | 0.261 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -78.9 | -47.6 | 170.9 | 171.8 | 0 | 0 | 0 | 0 | 109.9 | F840 M841 T842 H846 R847 L848 | F840-V844 HydrophobicContact CD1-CG2 4.18Å; F840-V844 HydrophobicContact CE1-CG2 3.8Å; F840-V844 HydrophobicContact CZ-CG2 4.07Å; F840-V844 WeakPolarHBondContact O-CG2 3.25Å; F840-V844 PolarHBondContact O-N 3.44Å; M841-V844 PolarHBondContact O-N 2.93Å; T842-V844 VanDerWaalsContact C-N 3.31Å; T842-V844 PolarHBondContact O-N 3.42Å; V844-H846 VanDerWaalsContact C-N 3.33Å; V844-H846 PolarHBondContact O-N 2.9Å; V844-R847 PolarHBondContact O-N 3.24Å; V844-L848 HydrophobicContact CG1-CD1 3.94Å; V844-L848 HydrophobicContact CG1-CG 4.47Å; V844-L848 WeakPolarHBondContact O-CG 3.45Å; V844-L848 PolarHBondContact O-N 2.92Å |
| 845 | L | 64 | Low | 61.1 | Low | 99 Ų | 99 | 108.9 Ų | 108.9 | 52% | 0.518 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -63.7 | -35.1 | 177.7 | -71.3 | 168.6 | 0 | 0 | 0 | 112.9 | M841 T842 L848 R849 | M841-L845 WeakPolarHBondContact O-CB 3.49Å; M841-L845 WeakPolarHBondContact O-CG 3.34Å; M841-L845 PolarHBondContact O-N 3.31Å; T842-L845 PolarHBondContact O-N 2.91Å; L845-L848 PolarHBondContact O-N 2.93Å; L845-R849 WeakPolarHBondContact O-CG 3.43Å; L845-R849 PolarHBondContact O-N 3.33Å; L845-R849 VanDerWaalsContact O-N 3.09Å |
| 846 | H | 62.8 | Low | 62.3 | Low | 110 Ų | 110 | 102.6 Ų | 102.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 173.3 | -162.7 | -79 | 0 | 0 | 0 | 110.9 | T842 V844 L848 R849 E850 | T842-H846 WeakPolarHBondContact O-CB 3.24Å; T842-H846 PolarHBondContact O-N 3Å; V844-H846 VanDerWaalsContact C-N 3.33Å; V844-H846 PolarHBondContact O-N 2.9Å; H846-L848 VanDerWaalsContact C-N 3.28Å; H846-L848 PolarHBondContact O-N 3.46Å; H846-R849 WeakPolarHBondContact O-CB 3.46Å; H846-R849 PolarHBondContact O-N 3.43Å; H846-E850 VanDerWaalsContact CE1-CD 3.43Å; H846-E850 IonicContact CE1-OE1 3.19Å; H846-E850 PolarHBondContact CE1-OE1 2.87Å; H846-E850 VanDerWaalsContact CE1-OE1 3.23Å; H846-E850 IonicContact CE1-OE2 3.41Å; H846-E850 IonicContact CG-OE2 3.49Å; H846-E850 IonicContact ND1-OE1 2.73Å; H846-E850 PolarHBondContact ND1-OE1 3.21Å; H846-E850 IonicContact ND1-OE2 2.86Å; H846-E850 PolarHBondContact ND1-OE2 3.46Å; H846-E850 WeakPolarHBondContact O-CG 3.32Å; H846-E850 PolarHBondContact O-N 2.89Å |
| 847 | R | 60.8 | Low | 63 | Low | 149 Ų | 149 | 103 Ų | 103 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.9 | -29.2 | 178.1 | -73.7 | -175.6 | -70.9 | 175.3 | 1.1 | 113.7 | R843 V844 E850 V851 | R843-R847 PolarHBondContact O-NE 3.14Å; V844-R847 PolarHBondContact O-N 3.24Å; R847-E850 VanDerWaalsContact CA-OE2 3.22Å; R847-E850 WeakPolarHBondContact CA-OE2 3.44Å; R847-E850 WeakPolarHBondContact CG-OE2 3.46Å; R847-E850 PolarHBondContact N-OE2 3.42Å; R847-V851 WeakPolarHBondContact O-CB 3.44Å; R847-V851 WeakPolarHBondContact O-CG2 3.43Å; R847-V851 PolarHBondContact O-N 3.33Å |
| 848 | L | 60.4 | Low | 63.9 | Low | 107 Ų | 107 | 106.9 Ų | 106.9 | 56% | 0.56 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.2 | -35.6 | 171.5 | -73 | 169.8 | 0 | 0 | 0 | 112.3 | V844 L845 H846 D852 | V844-L848 HydrophobicContact CG1-CD1 3.94Å; V844-L848 HydrophobicContact CG1-CG 4.47Å; V844-L848 WeakPolarHBondContact O-CG 3.45Å; V844-L848 PolarHBondContact O-N 2.92Å; L845-L848 PolarHBondContact O-N 2.93Å; H846-L848 VanDerWaalsContact C-N 3.28Å; H846-L848 PolarHBondContact O-N 3.46Å; L848-D852 WeakPolarHBondContact O-CB 3.46Å; L848-D852 PolarHBondContact O-N 2.93Å |
| 849 | R | 58.2 | Low | 64.4 | Low | 192 Ų | 192 | 108.1 Ų | 108.1 | 73% | 0.725 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68.2 | -48.2 | 171.8 | -69.5 | 179.8 | -172 | -177.9 | 2 | 111.8 | L845 H846 V851 D852 E853 | L845-R849 WeakPolarHBondContact O-CG 3.43Å; L845-R849 PolarHBondContact O-N 3.33Å; L845-R849 VanDerWaalsContact O-N 3.09Å; H846-R849 WeakPolarHBondContact O-CB 3.46Å; H846-R849 PolarHBondContact O-N 3.43Å; R849-V851 PolarHBondContact O-N 2.93Å; R849-D852 PolarHBondContact O-N 3.14Å; R849-D852 VanDerWaalsContact O-N 3.09Å; R849-E853 VanDerWaalsContact O-CB 3.28Å; R849-E853 WeakPolarHBondContact O-CB 3.43Å; R849-E853 PolarHBondContact O-N 2.95Å |
| 850 | E | 66.5 | Low | 65.1 | Low | 82 Ų | 82 | 107.1 Ų | 107.1 | 38% | 0.383 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.6 | -37.8 | 177.3 | -68.5 | 165.2 | 127.7 | 0 | 0 | 111.5 | H846 R847 H854 | H846-E850 VanDerWaalsContact CE1-CD 3.43Å; H846-E850 IonicContact CE1-OE1 3.19Å; H846-E850 PolarHBondContact CE1-OE1 2.87Å; H846-E850 VanDerWaalsContact CE1-OE1 3.23Å; H846-E850 IonicContact CE1-OE2 3.41Å; H846-E850 IonicContact CG-OE2 3.49Å; H846-E850 IonicContact ND1-OE1 2.73Å; H846-E850 PolarHBondContact ND1-OE1 3.21Å; H846-E850 IonicContact ND1-OE2 2.86Å; H846-E850 PolarHBondContact ND1-OE2 3.46Å; H846-E850 WeakPolarHBondContact O-CG 3.32Å; H846-E850 PolarHBondContact O-N 2.89Å; R847-E850 VanDerWaalsContact CA-OE2 3.22Å; R847-E850 WeakPolarHBondContact CA-OE2 3.44Å; R847-E850 WeakPolarHBondContact CG-OE2 3.46Å; R847-E850 PolarHBondContact N-OE2 3.42Å; E850-H854 WeakPolarHBondContact O-CB 3.48Å; E850-H854 PolarHBondContact O-N 3.27Å |
| 851 | V | 66.4 | Low | 65 | Low | 89 Ų | 89 | 106.8 Ų | 106.8 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.7 | -43.2 | 174.6 | 167.8 | 0 | 0 | 0 | 0 | 112.6 | R847 R849 H854 V855 | R847-V851 WeakPolarHBondContact O-CB 3.44Å; R847-V851 WeakPolarHBondContact O-CG2 3.43Å; R847-V851 PolarHBondContact O-N 3.33Å; R849-V851 PolarHBondContact O-N 2.93Å; V851-H854 PolarHBondContact O-N 3.33Å; V851-V855 HydrophobicContact CG1-CG2 4.42Å; V851-V855 WeakPolarHBondContact O-CB 3.34Å; V851-V855 VanDerWaalsContact O-CG2 3.22Å; V851-V855 WeakPolarHBondContact O-CG2 3.34Å; V851-V855 PolarHBondContact O-N 2.93Å |
| 852 | D | 64.9 | Low | 65.4 | Low | 97 Ų | 97 | 105 Ų | 105 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.3 | -31.6 | 179.8 | -163.6 | 44.8 | 0 | 0 | 0 | 112.5 | L848 R849 V855 S856 | L848-D852 WeakPolarHBondContact O-CB 3.46Å; L848-D852 PolarHBondContact O-N 2.93Å; R849-D852 PolarHBondContact O-N 3.14Å; R849-D852 VanDerWaalsContact O-N 3.09Å; D852-V855 PolarHBondContact O-N 3.15Å; D852-S856 VanDerWaalsContact O-CB 3.3Å; D852-S856 WeakPolarHBondContact O-CB 3.42Å; D852-S856 PolarHBondContact O-N 3.19Å; D852-S856 PolarHBondContact O-OG 3.35Å |
| 853 | E | 68.8 | Low | 65.6 | Low | 132 Ų | 132 | 105.8 Ų | 105.8 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.1 | -52.3 | 171 | -167.9 | 160.2 | -138.8 | 0 | 0 | 110.4 | R849 V855 S856 E857 | R849-E853 VanDerWaalsContact O-CB 3.28Å; R849-E853 WeakPolarHBondContact O-CB 3.43Å; R849-E853 PolarHBondContact O-N 2.95Å; E853-V855 VanDerWaalsContact C-N 3.29Å; E853-V855 PolarHBondContact O-N 3.48Å; E853-S856 CarbonylContact O-C 3.47Å; E853-S856 WeakPolarHBondContact O-CA 3.23Å; E853-S856 WeakPolarHBondContact O-CB 3.44Å; E853-S856 PolarHBondContact O-N 3.17Å; E853-E857 WeakPolarHBondContact O-CG 3.48Å; E853-E857 PolarHBondContact O-N 3.39Å |
| 854 | H | 68.3 | Low | 65.9 | Low | 116 Ų | 116 | 102.9 Ų | 102.9 | 54% | 0.537 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.7 | -31.2 | 172.7 | -82.9 | -9.8 | 0 | 0 | 0 | 114.2 | E850 V851 E857 K858 | E850-H854 WeakPolarHBondContact O-CB 3.48Å; E850-H854 PolarHBondContact O-N 3.27Å; V851-H854 PolarHBondContact O-N 3.33Å; H854-E857 IonicContact CE1-OE2 2.9Å; H854-E857 IonicContact CG-OE2 3.04Å; H854-E857 IonicContact ND1-OE2 2.67Å; H854-E857 PolarHBondContact ND1-OE2 3.1Å; H854-K858 WeakPolarHBondContact O-CB 3.36Å; H854-K858 WeakPolarHBondContact O-CG 3.45Å; H854-K858 PolarHBondContact O-N 2.72Å |
| 855 | V | 70.5 | Confident | 65.9 | Low | 59 Ų | 59 | 104.6 Ų | 104.6 | 36% | 0.358 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69.8 | -37 | 172.3 | 162.4 | 0 | 0 | 0 | 0 | 110.6 | V851 D852 E853 K859 | V851-V855 HydrophobicContact CG1-CG2 4.42Å; V851-V855 WeakPolarHBondContact O-CB 3.34Å; V851-V855 VanDerWaalsContact O-CG2 3.22Å; V851-V855 WeakPolarHBondContact O-CG2 3.34Å; V851-V855 PolarHBondContact O-N 2.93Å; D852-V855 PolarHBondContact O-N 3.15Å; E853-V855 VanDerWaalsContact C-N 3.29Å; E853-V855 PolarHBondContact O-N 3.48Å; V855-K859 HydrophobicContact CG1-CD 4.1Å; V855-K859 WeakPolarHBondContact O-CB 3.42Å; V855-K859 VanDerWaalsContact O-CG 3.22Å; V855-K859 WeakPolarHBondContact O-CG 3.4Å; V855-K859 PolarHBondContact O-N 3.18Å |
| 856 | S | 67.8 | Low | 66.1 | Low | 57 Ų | 57 | 107.3 Ų | 107.3 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.7 | -42 | 176.2 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | D852 E853 K859 A860 | D852-S856 VanDerWaalsContact O-CB 3.3Å; D852-S856 WeakPolarHBondContact O-CB 3.42Å; D852-S856 PolarHBondContact O-N 3.19Å; D852-S856 PolarHBondContact O-OG 3.35Å; E853-S856 CarbonylContact O-C 3.47Å; E853-S856 WeakPolarHBondContact O-CA 3.23Å; E853-S856 WeakPolarHBondContact O-CB 3.44Å; E853-S856 PolarHBondContact O-N 3.17Å; S856-K859 WeakPolarHBondContact O-CB 3.39Å; S856-K859 PolarHBondContact O-N 3.03Å; S856-A860 WeakPolarHBondContact O-CB 3.49Å; S856-A860 PolarHBondContact O-N 2.84Å |
| 857 | E | 67.6 | Low | 66.3 | Low | 98 Ų | 98 | 106.3 Ų | 106.3 | 46% | 0.458 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 170.6 | -69.7 | -179.1 | 122.6 | 0 | 0 | 111.7 | E853 H854 K859 A860 Q861 | E853-E857 WeakPolarHBondContact O-CG 3.48Å; E853-E857 PolarHBondContact O-N 3.39Å; H854-E857 IonicContact CE1-OE2 2.9Å; H854-E857 IonicContact CG-OE2 3.04Å; H854-E857 IonicContact ND1-OE2 2.67Å; H854-E857 PolarHBondContact ND1-OE2 3.1Å; E857-K859 VanDerWaalsContact C-N 3.35Å; E857-K859 PolarHBondContact O-N 3.31Å; E857-A860 PolarHBondContact O-N 3.38Å; E857-Q861 WeakPolarHBondContact O-CG 3.3Å; E857-Q861 PolarHBondContact O-N 3.38Å |
| 858 | K | 68.4 | Low | 66.6 | Low | 140 Ų | 140 | 102.3 Ų | 102.3 | 61% | 0.609 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66.2 | -34.5 | 176.9 | -77.7 | 176.7 | 179 | 172.3 | 0 | 112.7 | H854 T862 | H854-K858 WeakPolarHBondContact O-CB 3.36Å; H854-K858 WeakPolarHBondContact O-CG 3.45Å; H854-K858 PolarHBondContact O-N 2.72Å; K858-T862 VanDerWaalsContact O-CB 3.27Å; K858-T862 WeakPolarHBondContact O-CB 3.43Å; K858-T862 PolarHBondContact O-N 3.37Å; K858-T862 PolarHBondContact O-OG1 2.77Å |
| 859 | K | 68.6 | Low | 66.6 | Low | 126 Ų | 126 | 103.3 Ų | 103.3 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -48.1 | 170.2 | -76.9 | 165.2 | -177 | 167.4 | 0 | 110.5 | V855 S856 E857 T862 Q863 | V855-K859 HydrophobicContact CG1-CD 4.1Å; V855-K859 WeakPolarHBondContact O-CB 3.42Å; V855-K859 VanDerWaalsContact O-CG 3.22Å; V855-K859 WeakPolarHBondContact O-CG 3.4Å; V855-K859 PolarHBondContact O-N 3.18Å; S856-K859 WeakPolarHBondContact O-CB 3.39Å; S856-K859 PolarHBondContact O-N 3.03Å; E857-K859 VanDerWaalsContact C-N 3.35Å; E857-K859 PolarHBondContact O-N 3.31Å; K859-T862 PolarHBondContact O-N 2.89Å; K859-Q863 VanDerWaalsContact O-CB 3.32Å; K859-Q863 WeakPolarHBondContact O-CB 3.45Å; K859-Q863 PolarHBondContact O-N 3.37Å |
| 860 | A | 68.3 | Low | 67.3 | Low | 48 Ų | 48 | 99.8 Ų | 99.8 | 40% | 0.397 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -45.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S856 E857 T862 Q863 Q864 | S856-A860 WeakPolarHBondContact O-CB 3.49Å; S856-A860 PolarHBondContact O-N 2.84Å; E857-A860 PolarHBondContact O-N 3.38Å; A860-T862 PolarHBondContact O-N 3.07Å; A860-Q863 WeakPolarHBondContact O-CB 3.5Å; A860-Q863 PolarHBondContact O-N 3.22Å; A860-Q864 WeakPolarHBondContact O-CG 3.35Å; A860-Q864 PolarHBondContact O-N 3.21Å |
| 861 | Q | 62.5 | Low | 67.8 | Low | 122 Ų | 122 | 99.2 Ų | 99.2 | 57% | 0.57 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62 | -42.1 | 173.4 | -71.9 | 179.2 | 3.2 | 0 | 0 | 111.8 | E857 Q863 Q864 V865 | E857-Q861 WeakPolarHBondContact O-CG 3.3Å; E857-Q861 PolarHBondContact O-N 3.38Å; Q861-Q863 VanDerWaalsContact C-N 3.33Å; Q861-Q863 PolarHBondContact O-N 3.05Å; Q861-Q864 PolarHBondContact O-N 3.38Å; Q861-V865 WeakPolarHBondContact O-CB 3.46Å; Q861-V865 VanDerWaalsContact O-CG2 3.27Å; Q861-V865 WeakPolarHBondContact O-CG2 3.3Å; Q861-V865 PolarHBondContact O-N 2.99Å |
| 862 | T | 67.6 | Low | 68.2 | Low | 70 Ų | 70 | 97.6 Ų | 97.6 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.5 | -37.1 | 176.9 | -57.8 | 0 | 0 | 0 | 0 | 111.9 | K858 K859 A860 R866 | K858-T862 VanDerWaalsContact O-CB 3.27Å; K858-T862 WeakPolarHBondContact O-CB 3.43Å; K858-T862 PolarHBondContact O-N 3.37Å; K858-T862 PolarHBondContact O-OG1 2.77Å; K859-T862 PolarHBondContact O-N 2.89Å; A860-T862 PolarHBondContact O-N 3.07Å; T862-R866 VanDerWaalsContact O-CG 3.3Å; T862-R866 WeakPolarHBondContact O-CG 3.26Å; T862-R866 PolarHBondContact O-N 2.99Å |
| 863 | Q | 65.4 | Low | 68.4 | Low | 98 Ų | 98 | 100.1 Ų | 100.1 | 46% | 0.458 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -52 | 175 | -172.5 | 70.9 | 17.3 | 0 | 0 | 110.5 | K859 A860 Q861 V865 R866 E867 | K859-Q863 VanDerWaalsContact O-CB 3.32Å; K859-Q863 WeakPolarHBondContact O-CB 3.45Å; K859-Q863 PolarHBondContact O-N 3.37Å; A860-Q863 WeakPolarHBondContact O-CB 3.5Å; A860-Q863 PolarHBondContact O-N 3.22Å; Q861-Q863 VanDerWaalsContact C-N 3.33Å; Q861-Q863 PolarHBondContact O-N 3.05Å; Q863-V865 VanDerWaalsContact C-N 3.33Å; Q863-V865 PolarHBondContact O-N 2.84Å; Q863-R866 WeakPolarHBondContact O-CB 3.2Å; Q863-R866 PolarHBondContact O-N 3.4Å; Q863-R866 VanDerWaalsContact O-N 3.1Å; Q863-E867 WeakPolarHBondContact CG-OE1 3Å; Q863-E867 PolarHBondContact NE2-OE1 3Å; Q863-E867 WeakPolarHBondContact O-CG 3.49Å; Q863-E867 PolarHBondContact O-N 3.11Å |
| 864 | Q | 68.3 | Low | 68.4 | Low | 127 Ų | 127 | 102.3 Ų | 102.3 | 59% | 0.593 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -59.9 | -39.2 | 176.4 | -72.4 | 176.9 | 0.3 | 0 | 0 | 112.7 | A860 Q861 E867 F868 | A860-Q864 WeakPolarHBondContact O-CG 3.35Å; A860-Q864 PolarHBondContact O-N 3.21Å; Q861-Q864 PolarHBondContact O-N 3.38Å; Q864-E867 PolarHBondContact O-N 3.36Å; Q864-F868 VanDerWaalsContact O-CB 3.3Å; Q864-F868 WeakPolarHBondContact O-CB 3.42Å; Q864-F868 PolarHBondContact O-N 3.03Å |
| 865 | V | 68.6 | Low | 68.6 | Low | 78 Ų | 78 | 101.8 Ų | 101.8 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 175.2 | 168 | 0 | 0 | 0 | 0 | 111.6 | Q861 Q863 Q869 | Q861-V865 WeakPolarHBondContact O-CB 3.46Å; Q861-V865 VanDerWaalsContact O-CG2 3.27Å; Q861-V865 WeakPolarHBondContact O-CG2 3.3Å; Q861-V865 PolarHBondContact O-N 2.99Å; Q863-V865 VanDerWaalsContact C-N 3.33Å; Q863-V865 PolarHBondContact O-N 2.84Å; V865-Q869 WeakPolarHBondContact O-CB 3.26Å; V865-Q869 VanDerWaalsContact O-CG 3.23Å; V865-Q869 WeakPolarHBondContact O-CG 3.4Å; V865-Q869 PolarHBondContact O-N 2.93Å |
| 866 | R | 66.8 | Low | 68.7 | Low | 157 Ų | 157 | 101.5 Ų | 101.5 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.5 | -45.5 | 174.3 | -74.3 | 171.2 | 177.4 | -169.3 | -1.1 | 111.8 | T862 Q863 F868 Q869 T870 | T862-R866 VanDerWaalsContact O-CG 3.3Å; T862-R866 WeakPolarHBondContact O-CG 3.26Å; T862-R866 PolarHBondContact O-N 2.99Å; Q863-R866 WeakPolarHBondContact O-CB 3.2Å; Q863-R866 PolarHBondContact O-N 3.4Å; Q863-R866 VanDerWaalsContact O-N 3.1Å; R866-F868 VanDerWaalsContact C-N 3.3Å; R866-F868 PolarHBondContact O-N 3.29Å; R866-Q869 PolarHBondContact O-N 3.09Å; R866-T870 PolarHBondContact O-N 2.84Å; R866-T870 PolarHBondContact O-OG1 3.03Å |
| 867 | E | 67.5 | Low | 68.3 | Low | 89 Ų | 89 | 101.6 Ų | 101.6 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -27.5 | 176.5 | -71.5 | 172.3 | -161 | 0 | 0 | 113.1 | Q863 Q864 T870 K871 | Q863-E867 WeakPolarHBondContact CG-OE1 3Å; Q863-E867 PolarHBondContact NE2-OE1 3Å; Q863-E867 WeakPolarHBondContact O-CG 3.49Å; Q863-E867 PolarHBondContact O-N 3.11Å; Q864-E867 PolarHBondContact O-N 3.36Å; E867-T870 PolarHBondContact O-OG1 2.63Å; E867-K871 VanDerWaalsContact O-CD 3.31Å; E867-K871 WeakPolarHBondContact O-CD 3.34Å; E867-K871 VanDerWaalsContact O-CE 3.24Å; E867-K871 WeakPolarHBondContact O-CE 3.32Å; E867-K871 WeakPolarHBondContact O-CG 3.3Å |
| 868 | F | 67.8 | Low | 68.5 | Low | 65 Ų | 65 | 101.6 Ų | 101.6 | 29% | 0.285 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -71.3 | -40.4 | 167.1 | -176.2 | -103.8 | 0 | 0 | 0 | 111.1 | Q864 R866 K876 H879 L880 | Q864-F868 VanDerWaalsContact O-CB 3.3Å; Q864-F868 WeakPolarHBondContact O-CB 3.42Å; Q864-F868 PolarHBondContact O-N 3.03Å; R866-F868 VanDerWaalsContact C-N 3.3Å; R866-F868 PolarHBondContact O-N 3.29Å; F868-K876 HydrophobicContact CD2-CG 4.42Å; F868-K876 HydrophobicContact CE1-CG 4.33Å; F868-K876 HydrophobicContact CE2-CB 4.15Å; F868-K876 HydrophobicContact CE2-CG 3.91Å; F868-K876 HydrophobicContact CZ-CB 4.05Å; F868-K876 HydrophobicContact CZ-CG 3.87Å; F868-K876 WeakPolarHBondContact O-CE 3.28Å; F868-H879 AromaticContact CD2-CD2 3.65Å; F868-H879 AromaticContact CE2-CD2 3.89Å; F868-L880 HydrophobicContact CE2-CG 4.36Å; F868-L880 HydrophobicContact CZ-CD1 4.25Å; F868-L880 HydrophobicContact CZ-CG 4.31Å |
| 869 | Q | 60.6 | Low | 68.5 | Low | 127 Ų | 127 | 99.2 Ų | 99.2 | 59% | 0.593 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68 | -33.9 | -179.7 | -78.1 | 174 | 9 | 0 | 0 | 113.7 | V865 R866 K876 | V865-Q869 WeakPolarHBondContact O-CB 3.26Å; V865-Q869 VanDerWaalsContact O-CG 3.23Å; V865-Q869 WeakPolarHBondContact O-CG 3.4Å; V865-Q869 PolarHBondContact O-N 2.93Å; R866-Q869 PolarHBondContact O-N 3.09Å; Q869-K876 PolarHBondContact O-NZ 3.07Å |
| 870 | T | 71.2 | Confident | 68.3 | Low | 119 Ų | 119 | 97.2 Ų | 97.2 | 73% | 0.73 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -73.8 | -21.4 | 179.1 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | R866 E867 | R866-T870 PolarHBondContact O-N 2.84Å; R866-T870 PolarHBondContact O-OG1 3.03Å; E867-T870 PolarHBondContact O-OG1 2.63Å |
| 871 | K | 77.3 | Confident | 67.7 | Low | 69 Ų | 69 | 98 Ų | 98 | 30% | 0.3 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -66.1 | 149.9 | 177.4 | -73 | 164.5 | -170.9 | 169.4 | 0 | 112.3 | E867 E875 K876 | E867-K871 VanDerWaalsContact O-CD 3.31Å; E867-K871 WeakPolarHBondContact O-CD 3.34Å; E867-K871 VanDerWaalsContact O-CE 3.24Å; E867-K871 WeakPolarHBondContact O-CE 3.32Å; E867-K871 WeakPolarHBondContact O-CG 3.3Å; K871-E875 HydrophobicContact CB-CB 4.06Å; K871-K876 HydrophobicContact CB-CG 4.19Å; K871-K876 WeakPolarHBondContact O-CE 3.26Å; K871-K876 PolarHBondContact O-NZ 3.34Å |
| 872 | S | 74.9 | Confident | 67.4 | Low | 55 Ų | 55 | 94.9 Ų | 94.9 | 39% | 0.385 | 50% | 0.5 | S | S | . | . | trans | -65.9 | 164.5 | 174.6 | 72.6 | 0 | 0 | 0 | 0 | 112 | K874 E875 K876 | S872-K874 PolarHBondContact O-N 3.25Å; S872-E875 WeakPolarHBondContact CA-OE2 3.49Å; S872-E875 WeakPolarHBondContact CB-OE2 3.46Å; S872-E875 PolarHBondContact N-OE2 3.04Å; S872-E875 PolarHBondContact O-N 2.9Å; S872-E875 WeakPolarHBondContact OG-CG 3.34Å; S872-E875 PolarHBondContact OG-N 2.88Å; S872-E875 PolarHBondContact OG-OE2 2.9Å; S872-K876 WeakPolarHBondContact O-CB 3.41Å; S872-K876 WeakPolarHBondContact O-CG 3.42Å; S872-K876 PolarHBondContact O-N 2.89Å | ||
| 873 | I | 69.6 | Low | 67.1 | Low | 150 Ų | 150 | 97.3 Ų | 97.3 | 77% | 0.769 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.6 | -34.5 | 178.3 | -63.3 | 171.1 | 0 | 0 | 0 | 111.3 | A877 | I873-A877 PolarHBondContact O-N 3.39Å |
| 874 | K | 68.2 | Low | 66.3 | Low | 179 Ų | 179 | 100.9 Ų | 100.9 | 78% | 0.778 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -71.2 | -41.9 | 179.7 | -148.8 | 176.9 | -173.5 | -176.7 | 0 | 111.6 | S872 A877 V878 | S872-K874 PolarHBondContact O-N 3.25Å; K874-A877 PolarHBondContact O-N 2.84Å; K874-V878 WeakPolarHBondContact O-CG2 3.2Å; K874-V878 PolarHBondContact O-N 3.2Å |
| 875 | E | 72.1 | Confident | 64.9 | Low | 104 Ų | 104 | 99.7 Ų | 99.7 | 49% | 0.486 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -69.5 | -36.6 | 175.5 | -67.6 | 160.2 | 124.5 | 0 | 0 | 112.3 | K871 S872 A877 V878 H879 | K871-E875 HydrophobicContact CB-CB 4.06Å; S872-E875 WeakPolarHBondContact CA-OE2 3.49Å; S872-E875 WeakPolarHBondContact CB-OE2 3.46Å; S872-E875 PolarHBondContact N-OE2 3.04Å; S872-E875 PolarHBondContact O-N 2.9Å; S872-E875 WeakPolarHBondContact OG-CG 3.34Å; S872-E875 PolarHBondContact OG-N 2.88Å; S872-E875 PolarHBondContact OG-OE2 2.9Å; E875-A877 VanDerWaalsContact C-N 3.31Å; E875-A877 PolarHBondContact O-N 2.7Å; E875-V878 PolarHBondContact O-N 3.07Å; E875-H879 VanDerWaalsContact O-CB 3.29Å; E875-H879 WeakPolarHBondContact O-CB 3.33Å; E875-H879 PolarHBondContact O-N 3.01Å |
| 876 | K | 72.6 | Confident | 63.2 | Low | 53 Ų | 53 | 99.3 Ų | 99.3 | 23% | 0.23 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -58.9 | -41.5 | 172.7 | -76.6 | 164.4 | 173.9 | 148.6 | 0 | 111.7 | F868 Q869 K871 S872 L880 | F868-K876 HydrophobicContact CD2-CG 4.42Å; F868-K876 HydrophobicContact CE1-CG 4.33Å; F868-K876 HydrophobicContact CE2-CB 4.15Å; F868-K876 HydrophobicContact CE2-CG 3.91Å; F868-K876 HydrophobicContact CZ-CB 4.05Å; F868-K876 HydrophobicContact CZ-CG 3.87Å; F868-K876 WeakPolarHBondContact O-CE 3.28Å; Q869-K876 PolarHBondContact O-NZ 3.07Å; K871-K876 HydrophobicContact CB-CG 4.19Å; K871-K876 WeakPolarHBondContact O-CE 3.26Å; K871-K876 PolarHBondContact O-NZ 3.34Å; S872-K876 WeakPolarHBondContact O-CB 3.41Å; S872-K876 WeakPolarHBondContact O-CG 3.42Å; S872-K876 PolarHBondContact O-N 2.89Å; K876-L880 WeakPolarHBondContact O-CB 3.37Å; K876-L880 VanDerWaalsContact O-CG 3.28Å; K876-L880 WeakPolarHBondContact O-CG 3.29Å; K876-L880 PolarHBondContact O-N 3.11Å |
| 877 | A | 60.3 | Low | 61.5 | Low | 59 Ų | 59 | 99 Ų | 99 | 49% | 0.488 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.9 | -46.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | I873 K874 E875 H879 L880 S881 | I873-A877 PolarHBondContact O-N 3.39Å; K874-A877 PolarHBondContact O-N 2.84Å; E875-A877 VanDerWaalsContact C-N 3.31Å; E875-A877 PolarHBondContact O-N 2.7Å; A877-H879 PolarHBondContact O-N 3.39Å; A877-L880 PolarHBondContact O-N 2.83Å; A877-S881 PolarHBondContact O-N 3.2Å; A877-S881 PolarHBondContact O-OG 3.28Å |
| 878 | V | 71.2 | Confident | 59.9 | Low | 98 Ų | 98 | 100 Ų | 100 | 59% | 0.594 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.8 | -41.2 | 178.2 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | K874 E875 L880 S881 G882 | K874-V878 WeakPolarHBondContact O-CG2 3.2Å; K874-V878 PolarHBondContact O-N 3.2Å; E875-V878 PolarHBondContact O-N 3.07Å; V878-L880 VanDerWaalsContact C-N 3.31Å; V878-L880 PolarHBondContact O-N 2.9Å; V878-S881 WeakPolarHBondContact CA-OG 3.45Å; V878-S881 PolarHBondContact O-N 2.78Å; V878-S881 PolarHBondContact O-OG 2.85Å; V878-G882 PolarHBondContact O-N 3.26Å |
| 879 | H | 69.5 | Low | 58.5 | Low | 90 Ų | 90 | 102.8 Ų | 102.8 | 42% | 0.417 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.4 | -33.3 | 177.7 | -169.2 | 66.6 | 0 | 0 | 0 | 112.2 | F868 E875 A877 | F868-H879 AromaticContact CD2-CD2 3.65Å; F868-H879 AromaticContact CE2-CD2 3.89Å; E875-H879 VanDerWaalsContact O-CB 3.29Å; E875-H879 WeakPolarHBondContact O-CB 3.33Å; E875-H879 PolarHBondContact O-N 3.01Å; A877-H879 PolarHBondContact O-N 3.39Å |
| 880 | L | 64.9 | Low | 57 | Low | 85 Ų | 85 | 104 Ų | 104 | 45% | 0.445 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -73.7 | -40.5 | 172.5 | -72.5 | 169.5 | 0 | 0 | 0 | 112.3 | F868 K876 A877 V878 G882 L883 F884 | F868-L880 HydrophobicContact CE2-CG 4.36Å; F868-L880 HydrophobicContact CZ-CD1 4.25Å; F868-L880 HydrophobicContact CZ-CG 4.31Å; K876-L880 WeakPolarHBondContact O-CB 3.37Å; K876-L880 VanDerWaalsContact O-CG 3.28Å; K876-L880 WeakPolarHBondContact O-CG 3.29Å; K876-L880 PolarHBondContact O-N 3.11Å; A877-L880 PolarHBondContact O-N 2.83Å; V878-L880 VanDerWaalsContact C-N 3.31Å; V878-L880 PolarHBondContact O-N 2.9Å; L880-G882 VanDerWaalsContact C-N 3.33Å; L880-G882 PolarHBondContact O-N 2.86Å; L880-L883 PolarHBondContact O-N 3.42Å; L880-F884 WeakPolarHBondContact O-CD2 3.37Å |
| 881 | S | 54.2 | Low | 55 | Low | 65 Ų | 65 | 104.5 Ų | 104.5 | 46% | 0.455 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.9 | -35 | 177.1 | 54.1 | 0 | 0 | 0 | 0 | 112.8 | A877 V878 L883 F884 | A877-S881 PolarHBondContact O-N 3.2Å; A877-S881 PolarHBondContact O-OG 3.28Å; V878-S881 WeakPolarHBondContact CA-OG 3.45Å; V878-S881 PolarHBondContact O-N 2.78Å; V878-S881 PolarHBondContact O-OG 2.85Å; S881-L883 PolarHBondContact O-N 3.27Å; S881-F884 PolarHBondContact O-N 2.78Å |
| 882 | G | 56 | Low | 52.8 | Low | 56 Ų | 56 | 107.8 Ų | 107.8 | 58% | 0.577 | 63% | 0.626 | S | S | * | * | G | 310 helix | trans | -64.1 | -18.7 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | V878 L880 F884 | V878-G882 PolarHBondContact O-N 3.26Å; L880-G882 VanDerWaalsContact C-N 3.33Å; L880-G882 PolarHBondContact O-N 2.86Å; G882-F884 VanDerWaalsContact C-N 3.3Å |
| 883 | L | 61.4 | Low | 50.5 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 63% | 0.634 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -82 | -6.7 | 174.7 | -68.1 | 169.2 | 0 | 0 | 0 | 113.5 | L880 S881 | L880-L883 PolarHBondContact O-N 3.42Å; S881-L883 PolarHBondContact O-N 3.27Å |
| 884 | F | 48.7 | Very low | 48.3 | Very low | 172 Ų | 172 | 111.3 Ų | 111.3 | 75% | 0.754 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -132.5 | 29.2 | -174.1 | -63.1 | -72 | 0 | 0 | 0 | 113 | L880 S881 G882 | L880-F884 WeakPolarHBondContact O-CD2 3.37Å; S881-F884 PolarHBondContact O-N 2.78Å; G882-F884 VanDerWaalsContact C-N 3.3Å |
| 885 | S | 39.7 | Very low | 46.3 | Very low | 103 Ų | 103 | 108.4 Ų | 108.4 | 72% | 0.72 | 65% | 0.654 | S | S | * | * | trans | -145.9 | 113 | 178.1 | -64.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 886 | G | 31.9 | Very low | 44.2 | Very low | 70 Ų | 70 | 108.5 Ų | 108.5 | 72% | 0.722 | 67% | 0.666 | S | S | * | * | trans | 176.6 | 130.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 887 | D | 32.8 | Very low | 42.2 | Very low | 150 Ų | 150 | 112.9 Ų | 112.9 | 80% | 0.802 | 69% | 0.691 | S | S | * | * | trans | -101.4 | 138.7 | -146.4 | -56.1 | -71.3 | 0 | 0 | 0 | 118.4 | ||||
| 888 | S | 33.7 | Very low | 40.7 | Very low | 110 Ų | 110 | 122.1 Ų | 122.1 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | 64.1 | 174.7 | 137.4 | 79.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 889 | P | 37.9 | Very low | 38.8 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | cis | -127.9 | -172 | -5.7 | 42.3 | -26.4 | 0 | 0 | 0 | 115 | ||||
| 890 | D | 28.8 | Very low | 36.9 | Very low | 152 Ų | 152 | 129.3 Ų | 129.3 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -73.4 | 154.6 | 176.4 | -88.9 | -65.5 | 0 | 0 | 0 | 115.4 | ||||
| 891 | V | 29.5 | Very low | 35.1 | Very low | 129 Ų | 129 | 135 Ų | 135 | 78% | 0.782 | 77% | 0.768 | S | S | * | * | 174.4 | 118.8 | 116.1 | 154.1 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 892 | L | 30.2 | Very low | 33.7 | Very low | 139 Ų | 139 | 138.1 Ų | 138.1 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | trans | 38.9 | 125.2 | 149.8 | -64.3 | 169.3 | 0 | 0 | 0 | 124.6 | ||||
| 893 | K | 26.6 | Very low | 32.9 | Very low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 80% | 0.801 | S | S | * | * | trans | 73.1 | 107.9 | 138.7 | -69.2 | 176 | 177.2 | 177.3 | 0 | 120.7 | ||||
| 894 | G | 24.2 | Very low | 32 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -172.2 | 130.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 895 | S | 25.5 | Very low | 32.4 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -88.6 | 164.8 | 175.6 | 71.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 896 | S | 27.6 | Very low | 34 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | cis | -165.6 | -177.5 | 25.8 | -164.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 897 | I | 31.9 | Very low | 36.3 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 74% | 0.744 | 76% | 0.76 | S | S | * | * | trans | 63 | 100 | 164.5 | -43.1 | -179.6 | 0 | 0 | 0 | 118.5 | ||||
| 898 | R | 29.6 | Very low | 38.7 | Very low | 253 Ų | 253 | 130.7 Ų | 130.7 | 96% | 0.955 | 72% | 0.722 | S | S | * | * | trans | -127.7 | 141.1 | 134.1 | -82.3 | -169.1 | 172.8 | -170.6 | -1.2 | 109.4 | ||||
| 899 | R | 30.4 | Very low | 40.9 | Very low | 242 Ų | 242 | 130.8 Ų | 130.8 | 91% | 0.913 | 71% | 0.706 | S | S | * | * | trans | -70 | 142.2 | -176.8 | -73.1 | 177.4 | 172 | 147.8 | -2.7 | 111.3 | ||||
| 900 | A | 28.8 | Very low | 42.8 | Very low | 98 Ų | 98 | 128.3 Ų | 128.3 | 81% | 0.81 | 69% | 0.691 | S | S | * | * | trans | -78.7 | 144.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 901 | F | 27.5 | Very low | 45.3 | Very low | 203 Ų | 203 | 123.3 Ų | 123.3 | 89% | 0.89 | 67% | 0.668 | S | S | * | * | trans | -111.3 | 140.3 | 151.5 | -95.3 | -91.5 | 0 | 0 | 0 | 108.2 | ||||
| 902 | C | 25.6 | Very low | 47.5 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 89% | 0.885 | 66% | 0.661 | S | S | * | * | trans | -70.5 | 141.2 | -170.2 | -166.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 903 | Q | 39 | Very low | 49.8 | Very low | 180 Ų | 180 | 122 Ų | 122 | 84% | 0.841 | 66% | 0.657 | S | S | * | * | trans | -98.5 | 112.7 | 176.6 | -63.4 | -174.9 | 13.8 | 0 | 0 | 111.3 | ||||
| 904 | S | 42.4 | Very low | 52.3 | Low | 105 Ų | 105 | 119.4 Ų | 119.4 | 73% | 0.734 | 64% | 0.642 | S | S | * | * | trans | -118.9 | 95.2 | 157.5 | 59.3 | 0 | 0 | 0 | 0 | 108.4 | D906 | S904-D906 PolarHBondContact O-N 3.47Š| ||
| 905 | A | 56.4 | Low | 54.7 | Low | 44 Ų | 44 | 116 Ų | 116 | 36% | 0.364 | 61% | 0.605 | S | S | . | * | trans | -87.9 | 105.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | K907 | A905-K907 PolarHBondContact O-N 2.81Å; A905-K907 VanDerWaalsContact O-N 3.14Å | ||
| 906 | D | 73.4 | Confident | 57 | Low | 46 Ų | 46 | 117.1 Ų | 117.1 | 25% | 0.246 | 59% | 0.592 | C | S | . | * | trans | -55.9 | 115.9 | 177.6 | -64.4 | -16.9 | 0 | 0 | 0 | 110.9 | S904 R914 V915 Y927 | S904-D906 PolarHBondContact O-N 3.47Å; D906-R914 WeakPolarHBondContact O-CA 3.47Å; D906-V915 PolarHBondContact O-N 3.43Å; D906-Y927 HydrophobicContact CB-CD2 3.79Å; D906-Y927 HydrophobicContact CB-CE2 4.05Å; D906-Y927 HydrophobicContact CB-CG 4.45Å; D906-Y927 VanDerWaalsContact CG-CE2 3.43Å; D906-Y927 VanDerWaalsContact OD1-CE2 3.24Å; D906-Y927 WeakPolarHBondContact OD1-CE2 3.42Å | ||
| 907 | K | 81.6 | Confident | 58.8 | Low | 141 Ų | 141 | 119 Ų | 119 | 61% | 0.613 | 59% | 0.591 | S | S | * | * | B | Isolated β-bridge | trans | -108.1 | 146.2 | 176.8 | -69.1 | 176.9 | -174.7 | 177.2 | 0 | 110.2 | A905 Y909 K913 | A905-K907 PolarHBondContact O-N 2.81Å; A905-K907 VanDerWaalsContact O-N 3.14Å; K907-Y909 PolarHBondContact O-N 2.96Å; K907-K913 WeakPolarHBondContact CA-O 3.26Å |
| 908 | C | 82.4 | Confident | 60.3 | Low | 1 Ų | 1 | 119 Ų | 119 | 1% | 0.007 | 60% | 0.597 | C | S | . | * | trans | -71.2 | 121.7 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | S910 C911 S912 K913 V915 Y927 H929 | C908-S910 PolarHBondContact O-N 2.82Å; C908-C911 VanDerWaalsContact CB-SG 3.51Å; C908-C911 PolarHBondContact O-N 3.21Å; C908-S912 VanDerWaalsContact O-CA 3.29Å; C908-S912 WeakPolarHBondContact O-CA 3.33Å; C908-S912 PolarHBondContact O-N 3.46Å; C908-K913 PolarHBondContact N-O 3.06Å; C908-V915 HydrophobicContact CB-CG2 3.54Å; C908-Y927 CarbonylContact C-O 3.58Å; C908-Y927 WeakPolarHBondContact CA-O 3.48Å; C908-H929 VanDerWaalsContact CB-ND1 3.26Å; C908-H929 WeakPolarHBondContact CB-ND1 3.43Å; C908-H929 PolarHBondContact SG-N 3.43Å; C908-H929 PolarHBondContact SG-ND1 2.95Å; C908-H929 VanDerWaalsContact SG-ND1 3.42Å | ||
| 909 | Y | 80.1 | Confident | 62.2 | Low | 112 Ų | 112 | 111 Ų | 111 | 44% | 0.439 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -29.4 | 178.7 | -175 | -96.2 | 0 | 0 | 0 | 112.6 | K907 F926 Y927 F928 G954 | K907-Y909 PolarHBondContact O-N 2.96Å; Y909-F926 AromaticContact CD2-CD1 3.36Å; Y909-F926 HydrophobicContact CD2-CD1 3.36Å; Y909-F926 AromaticContact CD2-CE1 3.6Å; Y909-F926 HydrophobicContact CD2-CE1 3.6Å; Y909-F926 HydrophobicContact CD2-CG 4.02Å; Y909-F926 HydrophobicContact CD2-CZ 4.42Å; Y909-F926 AromaticContact CE2-CD1 3.83Å; Y909-F926 HydrophobicContact CE2-CD1 3.83Å; Y909-F926 AromaticContact CE2-CE1 3.58Å; Y909-F926 HydrophobicContact CE2-CE1 3.58Å; Y909-F926 HydrophobicContact CE2-CG 4.49Å; Y909-F926 HydrophobicContact CE2-CZ 4.05Å; Y909-F926 HydrophobicContact CG-CB 4.33Å; Y909-F926 AromaticContact CG-CD1 3.94Å; Y909-F926 HydrophobicContact CG-CD1 3.94Å; Y909-F926 HydrophobicContact CG-CG 4.17Å; Y909-Y927 PolarHBondContact N-O 3.24Å; Y909-F928 AromaticContact CD1-CE1 3.97Å; Y909-F928 HydrophobicContact CD1-CE1 3.97Å; Y909-F928 AromaticContact CD1-CZ 3.99Å; Y909-F928 HydrophobicContact CD1-CZ 3.99Å; Y909-F928 HydrophobicContact CG-CE1 4.4Å; Y909-F928 HydrophobicContact CG-CZ 4.34Å; Y909-G954 WeakPolarHBondContact CE1-O 3.34Å |
| 910 | S | 77 | Confident | 64.4 | Low | 71 Ų | 71 | 104.4 Ų | 104.4 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -14.6 | -178.7 | -178.3 | 0 | 0 | 0 | 0 | 115.4 | C908 | C908-S910 PolarHBondContact O-N 2.82Š|
| 911 | C | 80.9 | Confident | 66.8 | Low | 48 Ų | 48 | 100.7 Ų | 100.7 | 32% | 0.324 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.3 | 3 | -176.7 | 79.1 | 0 | 0 | 0 | 0 | 115.3 | C908 K913 H929 | C908-C911 VanDerWaalsContact CB-SG 3.51Å; C908-C911 PolarHBondContact O-N 3.21Å; C911-K913 PolarHBondContact O-N 2.97Å; C911-H929 PolarHBondContact SG-ND1 3.29Å; C911-H929 VanDerWaalsContact SG-ND1 3.44Å |
| 912 | S | 75.9 | Confident | 69.3 | Low | 91 Ų | 91 | 93.5 Ų | 93.5 | 64% | 0.636 | 49% | 0.488 | S | S | * | . | trans | 58.1 | -2.4 | 178.1 | -60.3 | 0 | 0 | 0 | 0 | 117.3 | C908 | C908-S912 VanDerWaalsContact O-CA 3.29Å; C908-S912 WeakPolarHBondContact O-CA 3.33Å; C908-S912 PolarHBondContact O-N 3.46Å | ||
| 913 | K | 78.4 | Confident | 71.6 | Confident | 149 Ų | 149 | 87.7 Ų | 87.7 | 65% | 0.648 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -74.7 | 154.5 | 173 | -64.1 | 175.6 | -178 | -179.7 | 0 | 111 | K907 C908 C911 | K907-K913 WeakPolarHBondContact CA-O 3.26Å; C908-K913 PolarHBondContact N-O 3.06Å; C911-K913 PolarHBondContact O-N 2.97Å |
| 914 | R | 80.2 | Confident | 73.2 | Confident | 142 Ų | 142 | 85 Ų | 85 | 54% | 0.536 | 44% | 0.437 | S | S | . | . | B | Isolated β-bridge | trans | -60.1 | 139.2 | 175.5 | -175.3 | 178.5 | -67.6 | -147.7 | 0.5 | 110.6 | D906 Y916 H929 | D906-R914 WeakPolarHBondContact O-CA 3.47Å; R914-Y916 HydrophobicContact CG-CE1 4.37Å; R914-H929 PolarHBondContact O-CE1 3.45Å; R914-H929 PolarHBondContact O-NE2 3.09Å |
| 915 | V | 73.6 | Confident | 74.7 | Confident | 9 Ų | 9 | 83.7 Ų | 83.7 | 6% | 0.055 | 44% | 0.439 | C | S | . | . | trans | -107 | 127.9 | 173.2 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | D906 C908 E919 R920 | D906-V915 PolarHBondContact O-N 3.43Å; C908-V915 HydrophobicContact CB-CG2 3.54Å; V915-E919 HydrophobicContact CG1-CB 4.32Å; V915-R920 HydrophobicContact CG1-CB 3.58Å | ||
| 916 | Y | 74.4 | Confident | 75.7 | Confident | 144 Ų | 144 | 85.3 Ų | 85.3 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | trans | -88.2 | 153.4 | 173.7 | -62.2 | -75.1 | 0 | 0 | 0 | 110.8 | R914 V918 E919 R920 | R914-Y916 HydrophobicContact CG-CE1 4.37Å; Y916-V918 PolarHBondContact O-N 3.38Å; Y916-E919 PolarHBondContact O-N 3.44Å; Y916-R920 PolarHBondContact O-N 3.42Å | ||
| 917 | M | 64.8 | Low | 76.3 | Confident | 143 Ų | 143 | 87 Ų | 87 | 70% | 0.704 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -18.6 | -172.5 | -77.5 | -158.4 | -177.3 | 0 | 0 | 115.4 | ||
| 918 | V | 64 | Low | 76.4 | Confident | 145 Ų | 145 | 80.5 Ų | 80.5 | 88% | 0.879 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -25.4 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 112.2 | Y916 | Y916-V918 PolarHBondContact O-N 3.38Š|
| 919 | E | 68.8 | Low | 76.4 | Confident | 87 Ų | 87 | 81.8 Ų | 81.8 | 41% | 0.407 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -10.7 | -173.2 | -61.7 | 171.6 | 162.2 | 0 | 0 | 113.4 | V915 Y916 H929 R930 | V915-E919 HydrophobicContact CG1-CB 4.32Å; Y916-E919 PolarHBondContact O-N 3.44Å; E919-H929 IonicContact OE2-CD2 2.9Å; E919-H929 PolarHBondContact OE2-CD2 2.92Å; E919-H929 IonicContact OE2-NE2 3.44Å; E919-R930 PolarHBondContact O-N 3.38Å |
| 920 | R | 77.9 | Confident | 76.4 | Confident | 102 Ų | 102 | 85.9 Ų | 85.9 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 132 | -170.4 | 70.8 | -177 | 174.5 | 170.2 | 3.2 | 113.3 | V915 Y916 F928 | V915-R920 HydrophobicContact CG1-CB 3.58Å; Y916-R920 PolarHBondContact O-N 3.42Å; R920-F928 WeakPolarHBondContact CA-O 3.47Å |
| 921 | V | 78.9 | Confident | 76.4 | Confident | 20 Ų | 20 | 89.8 Ų | 89.8 | 12% | 0.121 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 134 | 162.6 | -178.6 | 0 | 0 | 0 | 0 | 107.6 | F928 R930 F933 | V921-F928 PolarHBondContact N-O 2.86Å; V921-F928 PolarHBondContact O-N 3.28Å; V921-R930 HydrophobicContact CG2-CB 4.11Å; V921-R930 HydrophobicContact CG2-CG 4.26Å; V921-F933 HydrophobicContact CB-CG 4.39Å; V921-F933 HydrophobicContact CG1-CD1 3.87Å; V921-F933 HydrophobicContact CG1-CD2 4.07Å; V921-F933 HydrophobicContact CG1-CE1 4.02Å; V921-F933 HydrophobicContact CG1-CE2 4.21Å; V921-F933 HydrophobicContact CG1-CG 3.91Å; V921-F933 HydrophobicContact CG1-CZ 4.19Å |
| 922 | C | 78.9 | Confident | 76.4 | Confident | 53 Ų | 53 | 89.1 Ų | 89.1 | 36% | 0.358 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 126.4 | 179.9 | -50 | 0 | 0 | 0 | 0 | 109.6 | F926 Y927 Q944 | C922-F926 WeakPolarHBondContact CA-O 3.48Å; C922-Y927 HydrophobicContact CB-CD1 4.49Å; C922-Q944 PolarHBondContact O-NE2 3.1Å |
| 923 | A | 73.7 | Confident | 76.8 | Confident | 9 Ų | 9 | 84.9 Ų | 84.9 | 7% | 0.074 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 132.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | G925 F926 F928 F933 | A923-G925 PolarHBondContact O-N 2.58Å; A923-G925 VanDerWaalsContact O-N 3.11Å; A923-F926 PolarHBondContact N-O 2.73Å; A923-F926 PolarHBondContact O-N 2.87Å; A923-F928 HydrophobicContact CB-CE2 4.34Å; A923-F933 HydrophobicContact CB-CE2 3.59Å; A923-F933 HydrophobicContact CB-CZ 3.83Å |
| 924 | E | 73.6 | Confident | 77.1 | Confident | 124 Ų | 124 | 83.5 Ų | 83.5 | 58% | 0.579 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45.6 | 40.3 | -179.6 | -50.1 | -49.9 | 152.1 | 0 | 0 | 114.9 | F926 F949 | E924-F926 VanDerWaalsContact C-N 3.28Å; E924-F926 VanDerWaalsContact O-CD2 3.28Å; E924-F926 WeakPolarHBondContact O-CD2 3.27Å; E924-F926 PolarHBondContact O-N 2.84Å; E924-F949 HydrophobicContact CB-CD1 3.92Å; E924-F949 HydrophobicContact CB-CE1 4.27Å; E924-F949 HydrophobicContact CB-CG 4.3Å; E924-F949 HydrophobicContact CG-CB 3.64Å; E924-F949 HydrophobicContact CG-CD1 3.81Å; E924-F949 HydrophobicContact CG-CG 3.87Å |
| 925 | G | 72.8 | Confident | 77.3 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 78% | 0.784 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.6 | -8.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A923 | A923-G925 PolarHBondContact O-N 2.58Å; A923-G925 VanDerWaalsContact O-N 3.11Å |
| 926 | F | 79.1 | Confident | 77.5 | Confident | 78 Ų | 78 | 79.6 Ų | 79.6 | 34% | 0.342 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 151.6 | -179.4 | -63.3 | -76.2 | 0 | 0 | 0 | 113.3 | Y909 C922 A923 E924 F928 F949 | Y909-F926 AromaticContact CD2-CD1 3.36Å; Y909-F926 HydrophobicContact CD2-CD1 3.36Å; Y909-F926 AromaticContact CD2-CE1 3.6Å; Y909-F926 HydrophobicContact CD2-CE1 3.6Å; Y909-F926 HydrophobicContact CD2-CG 4.02Å; Y909-F926 HydrophobicContact CD2-CZ 4.42Å; Y909-F926 AromaticContact CE2-CD1 3.83Å; Y909-F926 HydrophobicContact CE2-CD1 3.83Å; Y909-F926 AromaticContact CE2-CE1 3.58Å; Y909-F926 HydrophobicContact CE2-CE1 3.58Å; Y909-F926 HydrophobicContact CE2-CG 4.49Å; Y909-F926 HydrophobicContact CE2-CZ 4.05Å; Y909-F926 HydrophobicContact CG-CB 4.33Å; Y909-F926 AromaticContact CG-CD1 3.94Å; Y909-F926 HydrophobicContact CG-CD1 3.94Å; Y909-F926 HydrophobicContact CG-CG 4.17Å; C922-F926 WeakPolarHBondContact CA-O 3.48Å; A923-F926 PolarHBondContact N-O 2.73Å; A923-F926 PolarHBondContact O-N 2.87Å; E924-F926 VanDerWaalsContact C-N 3.28Å; E924-F926 VanDerWaalsContact O-CD2 3.28Å; E924-F926 WeakPolarHBondContact O-CD2 3.27Å; E924-F926 PolarHBondContact O-N 2.84Å; F926-F928 HydrophobicContact CB-CE2 3.71Å; F926-F928 HydrophobicContact CB-CZ 4.06Å; F926-F949 HydrophobicContact CD2-CZ 4.2Å; F926-F949 HydrophobicContact CE2-CE1 4.4Å; F926-F949 HydrophobicContact CE2-CZ 4.12Å |
| 927 | Y | 85.6 | Confident | 77.6 | Confident | 82 Ų | 82 | 76.7 Ų | 76.7 | 32% | 0.322 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 140.7 | 175.4 | -57.5 | -56.5 | 0 | 0 | 0 | 111.8 | D906 C908 Y909 C922 | D906-Y927 HydrophobicContact CB-CD2 3.79Å; D906-Y927 HydrophobicContact CB-CE2 4.05Å; D906-Y927 HydrophobicContact CB-CG 4.45Å; D906-Y927 VanDerWaalsContact CG-CE2 3.43Å; D906-Y927 VanDerWaalsContact OD1-CE2 3.24Å; D906-Y927 WeakPolarHBondContact OD1-CE2 3.42Å; C908-Y927 CarbonylContact C-O 3.58Å; C908-Y927 WeakPolarHBondContact CA-O 3.48Å; Y909-Y927 PolarHBondContact N-O 3.24Å; C922-Y927 HydrophobicContact CB-CD1 4.49Å |
| 928 | F | 83.8 | Confident | 78.3 | Confident | 5 Ų | 5 | 72.1 Ų | 72.1 | 2% | 0.022 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 149.3 | 176.3 | -59.7 | -93.8 | 0 | 0 | 0 | 110.3 | Y909 R920 V921 A923 F926 F933 L956 | Y909-F928 AromaticContact CD1-CE1 3.97Å; Y909-F928 HydrophobicContact CD1-CE1 3.97Å; Y909-F928 AromaticContact CD1-CZ 3.99Å; Y909-F928 HydrophobicContact CD1-CZ 3.99Å; Y909-F928 HydrophobicContact CG-CE1 4.4Å; Y909-F928 HydrophobicContact CG-CZ 4.34Å; R920-F928 WeakPolarHBondContact CA-O 3.47Å; V921-F928 PolarHBondContact N-O 2.86Å; V921-F928 PolarHBondContact O-N 3.28Å; A923-F928 HydrophobicContact CB-CE2 4.34Å; F926-F928 HydrophobicContact CB-CE2 3.71Å; F926-F928 HydrophobicContact CB-CZ 4.06Å; F928-F933 HydrophobicContact CB-CB 4.37Å; F928-F933 HydrophobicContact CB-CD2 4.07Å; F928-F933 HydrophobicContact CD1-CD2 4.46Å; F928-F933 AromaticContact CD2-CD2 3.88Å; F928-F933 HydrophobicContact CD2-CD2 3.88Å; F928-F933 HydrophobicContact CD2-CE2 4.13Å; F928-F933 HydrophobicContact CE2-CD2 4.47Å; F928-F933 HydrophobicContact CE2-CE2 4.4Å; F928-F933 AromaticContact CG-CD2 3.88Å; F928-F933 HydrophobicContact CG-CD2 3.88Å; F928-L956 HydrophobicContact CD1-CD1 4.26Å; F928-L956 HydrophobicContact CE1-CD1 3.8Å; F928-L956 HydrophobicContact CE2-CD1 4.25Å; F928-L956 HydrophobicContact CZ-CD1 3.8Å; F928-L956 HydrophobicContact CZ-CG 4.5Å |
| 929 | H | 82.9 | Confident | 79 | Confident | 28 Ų | 28 | 74.6 Ų | 74.6 | 13% | 0.13 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 144.4 | 158 | -62.1 | 96.3 | 0 | 0 | 0 | 109.5 | C908 C911 R914 E919 E931 C932 F933 | C908-H929 VanDerWaalsContact CB-ND1 3.26Å; C908-H929 WeakPolarHBondContact CB-ND1 3.43Å; C908-H929 PolarHBondContact SG-N 3.43Å; C908-H929 PolarHBondContact SG-ND1 2.95Å; C908-H929 VanDerWaalsContact SG-ND1 3.42Å; C911-H929 PolarHBondContact SG-ND1 3.29Å; C911-H929 VanDerWaalsContact SG-ND1 3.44Å; R914-H929 PolarHBondContact O-CE1 3.45Å; R914-H929 PolarHBondContact O-NE2 3.09Å; E919-H929 IonicContact OE2-CD2 2.9Å; E919-H929 PolarHBondContact OE2-CD2 2.92Å; E919-H929 IonicContact OE2-NE2 3.44Å; H929-E931 PolarHBondContact O-N 2.89Å; H929-E931 VanDerWaalsContact O-N 3.08Å; H929-C932 HydrophobicContact CB-CB 4.32Å; H929-C932 PolarHBondContact O-N 2.73Å; H929-F933 PolarHBondContact O-N 2.8Å |
| 930 | R | 79.3 | Confident | 79.4 | Confident | 197 Ų | 197 | 73.5 Ų | 73.5 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | -31.8 | 176.4 | -166.4 | 174.6 | -177.4 | 177.4 | -0.6 | 113.9 | E919 V921 | E919-R930 PolarHBondContact O-N 3.38Å; V921-R930 HydrophobicContact CG2-CB 4.11Å; V921-R930 HydrophobicContact CG2-CG 4.26Å |
| 931 | E | 77.3 | Confident | 79.6 | Confident | 153 Ų | 153 | 72.4 Ų | 72.4 | 72% | 0.715 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -26.2 | 176.7 | -62.1 | -175.5 | 175.6 | 0 | 0 | 114.3 | H929 F933 R934 | H929-E931 PolarHBondContact O-N 2.89Å; H929-E931 VanDerWaalsContact O-N 3.08Å; E931-F933 VanDerWaalsContact C-N 3.34Å; E931-R934 WeakPolarHBondContact O-CD 3.32Å; E931-R934 PolarHBondContact O-NE 2.92Å |
| 932 | C | 80.4 | Confident | 79.7 | Confident | 35 Ų | 35 | 72.6 Ų | 72.6 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -14.1 | 177.4 | -62.1 | 0 | 0 | 0 | 0 | 112.6 | H929 R934 | H929-C932 HydrophobicContact CB-CB 4.32Å; H929-C932 PolarHBondContact O-N 2.73Å; C932-R934 VanDerWaalsContact C-N 3.28Å; C932-R934 PolarHBondContact O-N 3.24Å |
| 933 | F | 85 | Confident | 79.5 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.009 | 39% | 0.385 | C | S | . | . | trans | -78.9 | 72.2 | -175.9 | -162.6 | -112.4 | 0 | 0 | 0 | 111.9 | V921 A923 F928 H929 E931 L942 H947 L956 | V921-F933 HydrophobicContact CB-CG 4.39Å; V921-F933 HydrophobicContact CG1-CD1 3.87Å; V921-F933 HydrophobicContact CG1-CD2 4.07Å; V921-F933 HydrophobicContact CG1-CE1 4.02Å; V921-F933 HydrophobicContact CG1-CE2 4.21Å; V921-F933 HydrophobicContact CG1-CG 3.91Å; V921-F933 HydrophobicContact CG1-CZ 4.19Å; A923-F933 HydrophobicContact CB-CE2 3.59Å; A923-F933 HydrophobicContact CB-CZ 3.83Å; F928-F933 HydrophobicContact CB-CB 4.37Å; F928-F933 HydrophobicContact CB-CD2 4.07Å; F928-F933 HydrophobicContact CD1-CD2 4.46Å; F928-F933 AromaticContact CD2-CD2 3.88Å; F928-F933 HydrophobicContact CD2-CD2 3.88Å; F928-F933 HydrophobicContact CD2-CE2 4.13Å; F928-F933 HydrophobicContact CE2-CD2 4.47Å; F928-F933 HydrophobicContact CE2-CE2 4.4Å; F928-F933 AromaticContact CG-CD2 3.88Å; F928-F933 HydrophobicContact CG-CD2 3.88Å; H929-F933 PolarHBondContact O-N 2.8Å; E931-F933 VanDerWaalsContact C-N 3.34Å; F933-L942 HydrophobicContact CD1-CB 3.67Å; F933-L942 WeakPolarHBondContact CD1-O 3.49Å; F933-L942 HydrophobicContact CE1-CB 3.59Å; F933-L942 HydrophobicContact CZ-CB 4.43Å; F933-L942 PolarHBondContact O-N 2.94Å; F933-H947 AromaticContact CE1-ND1 3.74Å; F933-H947 HydrophobicContact CZ-CB 4.3Å; F933-H947 AromaticContact CZ-CE1 3.63Å; F933-H947 AromaticContact CZ-CG 3.72Å; F933-H947 AromaticContact CZ-ND1 3.47Å; F933-H947 WeakPolarHBondContact CZ-ND1 3.34Å; F933-H947 AromaticContact CZ-NE2 3.97Å; F933-L956 HydrophobicContact CD2-CD1 3.51Å; F933-L956 HydrophobicContact CE2-CD1 3.46Å; F933-L956 VanDerWaalsContact CE2-CD1 3.46Å; F933-L956 HydrophobicContact CE2-CD2 3.83Å; F933-L956 HydrophobicContact CE2-CG 4.31Å; F933-L956 HydrophobicContact CZ-CD1 4.45Å; F933-L956 HydrophobicContact CZ-CD2 4.27Å | ||
| 934 | R | 83.7 | Confident | 79.1 | Confident | 120 Ų | 120 | 79.7 Ų | 79.7 | 45% | 0.453 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -125 | 156.6 | -172.4 | -65.6 | 174.8 | -175.5 | -113.3 | 7.6 | 112.4 | E931 C932 R939 C940 | E931-R934 WeakPolarHBondContact O-CD 3.32Å; E931-R934 PolarHBondContact O-NE 2.92Å; C932-R934 VanDerWaalsContact C-N 3.28Å; C932-R934 PolarHBondContact O-N 3.24Å; R934-R939 WeakPolarHBondContact CD-O 3.39Å; R934-R939 WeakPolarHBondContact CG-O 3.35Å; R934-R939 PolarHBondContact NH1-O 2.93Å; R934-C940 WeakPolarHBondContact CA-O 3.47Å |
| 935 | C | 83.8 | Confident | 78.6 | Confident | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.014 | 41% | 0.411 | C | S | . | . | trans | -70.8 | 129.3 | 173.9 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | T937 R939 C940 L942 C958 | C935-T937 PolarHBondContact O-N 3.19Å; C935-T937 VanDerWaalsContact O-N 3.17Å; C935-T937 PolarHBondContact SG-N 3.46Å; C935-R939 WeakPolarHBondContact O-CA 3.11Å; C935-R939 PolarHBondContact O-N 3.31Å; C935-C940 PolarHBondContact N-O 3.08Å; C935-L942 HydrophobicContact CB-CD1 4.44Å; C935-L942 HydrophobicContact CB-CD2 4.22Å; C935-L942 HydrophobicContact CB-CG 4.43Å; C935-C958 HydrophobicContact CB-CB 4.45Å; C935-C958 PolarHBondContact SG-N 3.36Å; C935-C958 VanDerWaalsContact SG-N 3.36Å | ||
| 936 | S | 78.8 | Confident | 78.5 | Confident | 66 Ų | 66 | 74.5 Ų | 74.5 | 46% | 0.462 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -19.8 | 179 | -174.3 | 0 | 0 | 0 | 0 | 114.4 | L956 | S936-L956 WeakPolarHBondContact CB-O 3.4Å; S936-L956 PolarHBondContact N-O 3.07Å |
| 937 | T | 76.4 | Confident | 78.3 | Confident | 84 Ų | 84 | 72 Ų | 72 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -49.4 | 179.9 | -52.9 | 0 | 0 | 0 | 0 | 112.4 | C935 Y957 H961 | C935-T937 PolarHBondContact O-N 3.19Å; C935-T937 VanDerWaalsContact O-N 3.17Å; C935-T937 PolarHBondContact SG-N 3.46Å; T937-Y957 WeakPolarHBondContact OG1-CD1 3.47Å; T937-Y957 WeakPolarHBondContact OG1-CE1 3.49Å; T937-H961 HydrophobicContact CG2-CB 4.44Å |
| 938 | C | 79.6 | Confident | 77.8 | Confident | 47 Ų | 47 | 69 Ų | 69 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 1.6 | -172 | 63.2 | 0 | 0 | 0 | 0 | 114.9 | C940 H961 | C938-C940 PolarHBondContact O-N 3.2Å; C938-H961 VanDerWaalsContact SG-CE1 3.55Å |
| 939 | R | 78.6 | Confident | 77.6 | Confident | 196 Ų | 196 | 70.6 Ų | 70.6 | 74% | 0.74 | 38% | 0.377 | S | S | * | . | trans | 56.2 | 3.2 | 178.4 | -59 | -179.1 | -179.3 | 160.9 | 0.1 | 116.9 | R934 C935 | R934-R939 WeakPolarHBondContact CD-O 3.39Å; R934-R939 WeakPolarHBondContact CG-O 3.35Å; R934-R939 PolarHBondContact NH1-O 2.93Å; C935-R939 WeakPolarHBondContact O-CA 3.11Å; C935-R939 PolarHBondContact O-N 3.31Å | ||
| 940 | C | 78.3 | Confident | 77.2 | Confident | 64 Ų | 64 | 70 Ų | 70 | 43% | 0.432 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 137 | 169.4 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | R934 C935 C938 | R934-C940 WeakPolarHBondContact CA-O 3.47Å; C935-C940 PolarHBondContact N-O 3.08Å; C938-C940 PolarHBondContact O-N 3.2Å |
| 941 | S | 80.5 | Confident | 76.6 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 55% | 0.552 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -61.6 | 132.2 | 171.4 | -53.5 | 0 | 0 | 0 | 0 | 110.2 | ||
| 942 | L | 80.7 | Confident | 76.1 | Confident | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.131 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 149.6 | -179.9 | -65.4 | 167.3 | 0 | 0 | 0 | 109.8 | F933 C935 H947 L956 C958 | F933-L942 HydrophobicContact CD1-CB 3.67Å; F933-L942 WeakPolarHBondContact CD1-O 3.49Å; F933-L942 HydrophobicContact CE1-CB 3.59Å; F933-L942 HydrophobicContact CZ-CB 4.43Å; F933-L942 PolarHBondContact O-N 2.94Å; C935-L942 HydrophobicContact CB-CD1 4.44Å; C935-L942 HydrophobicContact CB-CD2 4.22Å; C935-L942 HydrophobicContact CB-CG 4.43Å; L942-H947 HydrophobicContact CB-CB 4.28Å; L942-H947 HydrophobicContact CD1-CB 3.9Å; L942-H947 HydrophobicContact CD2-CB 4.3Å; L942-H947 HydrophobicContact CG-CB 4.39Å; L942-L956 HydrophobicContact CD1-CB 3.86Å; L942-C958 HydrophobicContact CD2-CB 3.73Å |
| 943 | S | 75.4 | Confident | 75.5 | Confident | 74 Ų | 74 | 66 Ų | 66 | 52% | 0.517 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 156.2 | 167.7 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | G945 A946 H947 | S943-G945 PolarHBondContact O-N 3.31Å; S943-A946 PolarHBondContact O-N 3.01Å; S943-A946 WeakPolarHBondContact OG-CB 3.33Å; S943-H947 PolarHBondContact O-ND1 2.82Å; S943-H947 VanDerWaalsContact O-ND1 3.09Å |
| 944 | Q | 65.2 | Low | 74.8 | Confident | 136 Ų | 136 | 66.7 Ų | 66.7 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 123.4 | 178.6 | -146.5 | 168.1 | 13.5 | 0 | 0 | 108.6 | C922 | C922-Q944 PolarHBondContact O-NE2 3.1Š|
| 945 | G | 64.2 | Low | 74.5 | Confident | 54 Ų | 54 | 65 Ų | 65 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.9 | -9.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | S943 H947 K959 | S943-G945 PolarHBondContact O-N 3.31Å; G945-H947 PolarHBondContact N-CE1 2.74Å; G945-K959 VanDerWaalsContact O-CE 3.32Å; G945-K959 WeakPolarHBondContact O-CE 3.22Å; G945-K959 PolarHBondContact O-NZ 2.98Å |
| 946 | A | 69.1 | Low | 74.5 | Confident | 38 Ų | 38 | 65.6 Ų | 65.6 | 31% | 0.314 | 38% | 0.379 | S | S | . | . | S | Bend | trans | -105.2 | 4.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115 | S943 | S943-A946 PolarHBondContact O-N 3.01Å; S943-A946 WeakPolarHBondContact OG-CB 3.33Å |
| 947 | H | 75.4 | Confident | 74.5 | Confident | 25 Ų | 25 | 63.1 Ų | 63.1 | 12% | 0.116 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 171.6 | 178.9 | 54.9 | -85.4 | 0 | 0 | 0 | 112.3 | F933 L942 S943 G945 Y957 | F933-H947 AromaticContact CE1-ND1 3.74Å; F933-H947 HydrophobicContact CZ-CB 4.3Å; F933-H947 AromaticContact CZ-CE1 3.63Å; F933-H947 AromaticContact CZ-CG 3.72Å; F933-H947 AromaticContact CZ-ND1 3.47Å; F933-H947 WeakPolarHBondContact CZ-ND1 3.34Å; F933-H947 AromaticContact CZ-NE2 3.97Å; L942-H947 HydrophobicContact CB-CB 4.28Å; L942-H947 HydrophobicContact CD1-CB 3.9Å; L942-H947 HydrophobicContact CD2-CB 4.3Å; L942-H947 HydrophobicContact CG-CB 4.39Å; S943-H947 PolarHBondContact O-ND1 2.82Å; S943-H947 VanDerWaalsContact O-ND1 3.09Å; G945-H947 PolarHBondContact N-CE1 2.74Å; H947-Y957 CarbonylContact C-O 3.55Å; H947-Y957 WeakPolarHBondContact CA-O 3.45Å |
| 948 | A | 76.1 | Confident | 74.8 | Confident | 19 Ų | 19 | 60.2 Ų | 60.2 | 16% | 0.157 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 138.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108 | Y957 F962 | A948-Y957 PolarHBondContact N-O 2.85Å; A948-Y957 PolarHBondContact O-N 2.89Å; A948-F962 HydrophobicContact CB-CB 3.83Å; A948-F962 HydrophobicContact CB-CD1 3.88Å; A948-F962 HydrophobicContact CB-CD2 3.68Å; A948-F962 HydrophobicContact CB-CE1 4.34Å; A948-F962 HydrophobicContact CB-CE2 4.17Å; A948-F962 HydrophobicContact CB-CG 3.51Å; A948-F962 HydrophobicContact CB-CZ 4.47Å |
| 949 | F | 78.9 | Confident | 74.8 | Confident | 39 Ų | 39 | 63.4 Ų | 63.4 | 17% | 0.171 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 140.1 | -178.3 | -175.8 | -113.5 | 0 | 0 | 0 | 109.8 | E924 F926 G954 L956 | E924-F949 HydrophobicContact CB-CD1 3.92Å; E924-F949 HydrophobicContact CB-CE1 4.27Å; E924-F949 HydrophobicContact CB-CG 4.3Å; E924-F949 HydrophobicContact CG-CB 3.64Å; E924-F949 HydrophobicContact CG-CD1 3.81Å; E924-F949 HydrophobicContact CG-CG 3.87Å; F926-F949 HydrophobicContact CD2-CZ 4.2Å; F926-F949 HydrophobicContact CE2-CE1 4.4Å; F926-F949 HydrophobicContact CE2-CZ 4.12Å; F949-G954 VanDerWaalsContact CE2-C 3.41Å; F949-G954 WeakPolarHBondContact CE2-O 3.49Å; F949-L956 HydrophobicContact CB-CD2 4.4Å; F949-L956 HydrophobicContact CD2-CD2 3.84Å; F949-L956 HydrophobicContact CD2-CG 4.12Å |
| 950 | N | 75.2 | Confident | 74.8 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.08 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 107.7 | 168.5 | -175.7 | 15.2 | 0 | 0 | 0 | 109.8 | E952 E953 G954 K955 Y957 | N950-E952 PolarHBondContact O-N 2.66Å; N950-E952 WeakPolarHBondContact OD1-CB 3.49Å; N950-E952 PolarHBondContact OD1-N 3.44Å; N950-E953 PolarHBondContact O-N 2.78Å; N950-G954 PolarHBondContact O-N 2.81Å; N950-K955 PolarHBondContact N-O 2.86Å; N950-Y957 HydrophobicContact CB-CD2 4.46Å; N950-Y957 HydrophobicContact CB-CE2 4.05Å |
| 951 | S | 67.2 | Low | 74.8 | Confident | 104 Ų | 104 | 60.8 Ų | 60.8 | 73% | 0.727 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.1 | 177.8 | 46.4 | 0 | 0 | 0 | 0 | 113.5 | E953 | S951-E953 VanDerWaalsContact C-N 3.32Å; S951-E953 PolarHBondContact O-N 2.84Å |
| 952 | E | 66.6 | Low | 74.7 | Confident | 123 Ų | 123 | 59.7 Ų | 59.7 | 58% | 0.575 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -23.5 | 177.5 | -58.7 | 170.8 | -171.8 | 0 | 0 | 113.5 | N950 R969 | N950-E952 PolarHBondContact O-N 2.66Å; N950-E952 WeakPolarHBondContact OD1-CB 3.49Å; N950-E952 PolarHBondContact OD1-N 3.44Å; E952-R969 IonicContact OE1-CZ 3.97Å; E952-R969 IonicContact OE1-NH1 3.73Å; E952-R969 PolarHBondContact OE1-NH1 3.12Å; E952-R969 IonicContact OE1-NH2 3.13Å; E952-R969 IonicContact OE2-CZ 2.66Å; E952-R969 IonicContact OE2-NH1 3.35Å; E952-R969 PolarHBondContact OE2-NH1 3.37Å; E952-R969 IonicContact OE2-NH2 3.84Å; E952-R969 PolarHBondContact OE2-NH2 3.23Å |
| 953 | E | 66 | Low | 74.4 | Confident | 75 Ų | 75 | 64.6 Ų | 64.6 | 35% | 0.35 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | -5.4 | -174.4 | -77 | -171.3 | -152 | 0 | 0 | 114.4 | N950 S951 K955 R965 | N950-E953 PolarHBondContact O-N 2.78Å; S951-E953 VanDerWaalsContact C-N 3.32Å; S951-E953 PolarHBondContact O-N 2.84Å; E953-K955 HydrophobicContact CB-CB 4.44Å; E953-K955 HydrophobicContact CB-CD 4.17Å; E953-K955 HydrophobicContact CB-CG 4.32Å; E953-K955 PolarHBondContact O-N 3.13Å; E953-K955 WeakPolarHBondContact OE2-CD 3.49Å; E953-K955 WeakPolarHBondContact OE2-CE 3.4Å; E953-K955 IonicContact OE2-NZ 3.2Å; E953-K955 PolarHBondContact OE2-NZ 2.85Å; E953-R965 IonicContact OE1-CZ 2.65Å; E953-R965 IonicContact OE1-NH1 3.83Å; E953-R965 PolarHBondContact OE1-NH1 2.78Å; E953-R965 IonicContact OE1-NH2 2.85Å; E953-R965 PolarHBondContact OE1-NH2 2.65Å; E953-R965 IonicContact OE2-NH1 2.78Å; E953-R965 PolarHBondContact OE2-NH1 3.14Å; E953-R965 VanDerWaalsContact OE2-NH1 3.13Å |
| 954 | G | 71.7 | Confident | 74 | Confident | 16 Ų | 16 | 67.2 Ų | 67.2 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 19.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y909 F949 N950 | Y909-G954 WeakPolarHBondContact CE1-O 3.34Å; F949-G954 VanDerWaalsContact CE2-C 3.41Å; F949-G954 WeakPolarHBondContact CE2-O 3.49Å; N950-G954 PolarHBondContact O-N 2.81Å |
| 955 | K | 77.8 | Confident | 74 | Confident | 85 Ų | 85 | 63.5 Ų | 63.5 | 37% | 0.37 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 140.4 | -170.5 | -72 | 172 | -155.8 | 158.7 | 0 | 113.5 | N950 E953 Y957 | N950-K955 PolarHBondContact N-O 2.86Å; E953-K955 HydrophobicContact CB-CB 4.44Å; E953-K955 HydrophobicContact CB-CD 4.17Å; E953-K955 HydrophobicContact CB-CG 4.32Å; E953-K955 PolarHBondContact O-N 3.13Å; E953-K955 WeakPolarHBondContact OE2-CD 3.49Å; E953-K955 WeakPolarHBondContact OE2-CE 3.4Å; E953-K955 IonicContact OE2-NZ 3.2Å; E953-K955 PolarHBondContact OE2-NZ 2.85Å; K955-Y957 HydrophobicContact CB-CE2 3.71Å |
| 956 | L | 82.2 | Confident | 74 | Confident | 13 Ų | 13 | 64.2 Ų | 64.2 | 7% | 0.068 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 136.4 | 175.7 | -70.6 | 163.5 | 0 | 0 | 0 | 111.5 | F928 F933 S936 L942 F949 | F928-L956 HydrophobicContact CD1-CD1 4.26Å; F928-L956 HydrophobicContact CE1-CD1 3.8Å; F928-L956 HydrophobicContact CE2-CD1 4.25Å; F928-L956 HydrophobicContact CZ-CD1 3.8Å; F928-L956 HydrophobicContact CZ-CG 4.5Å; F933-L956 HydrophobicContact CD2-CD1 3.51Å; F933-L956 HydrophobicContact CE2-CD1 3.46Å; F933-L956 VanDerWaalsContact CE2-CD1 3.46Å; F933-L956 HydrophobicContact CE2-CD2 3.83Å; F933-L956 HydrophobicContact CE2-CG 4.31Å; F933-L956 HydrophobicContact CZ-CD1 4.45Å; F933-L956 HydrophobicContact CZ-CD2 4.27Å; S936-L956 WeakPolarHBondContact CB-O 3.4Å; S936-L956 PolarHBondContact N-O 3.07Å; L942-L956 HydrophobicContact CD1-CB 3.86Å; F949-L956 HydrophobicContact CB-CD2 4.4Å; F949-L956 HydrophobicContact CD2-CD2 3.84Å; F949-L956 HydrophobicContact CD2-CG 4.12Å |
| 957 | Y | 79.6 | Confident | 73.3 | Confident | 14 Ų | 14 | 67.1 Ų | 67.1 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 155.5 | 176.2 | -63.2 | -82.5 | 0 | 0 | 0 | 110.7 | T937 H947 A948 N950 K955 H961 F962 R965 | T937-Y957 WeakPolarHBondContact OG1-CD1 3.47Å; T937-Y957 WeakPolarHBondContact OG1-CE1 3.49Å; H947-Y957 CarbonylContact C-O 3.55Å; H947-Y957 WeakPolarHBondContact CA-O 3.45Å; A948-Y957 PolarHBondContact N-O 2.85Å; A948-Y957 PolarHBondContact O-N 2.89Å; N950-Y957 HydrophobicContact CB-CD2 4.46Å; N950-Y957 HydrophobicContact CB-CE2 4.05Å; K955-Y957 HydrophobicContact CB-CE2 3.71Å; Y957-H961 HydrophobicContact CD1-CB 4.49Å; Y957-F962 HydrophobicContact CD2-CD2 4.34Å; Y957-R965 PolarHBondContact OH-NH1 3.46Å |
| 958 | C | 83.8 | Confident | 72.3 | Confident | 23 Ų | 23 | 71.4 Ų | 71.4 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 155.8 | 161.7 | 71.2 | 0 | 0 | 0 | 0 | 109.8 | C935 L942 L960 H961 F962 | C935-C958 HydrophobicContact CB-CB 4.45Å; C935-C958 PolarHBondContact SG-N 3.36Å; C935-C958 VanDerWaalsContact SG-N 3.36Å; L942-C958 HydrophobicContact CD2-CB 3.73Å; C958-L960 PolarHBondContact O-N 2.83Å; C958-H961 PolarHBondContact O-N 3.15Å; C958-H961 VanDerWaalsContact O-N 3.14Å; C958-H961 PolarHBondContact SG-ND1 3.49Å; C958-F962 PolarHBondContact O-N 2.84Å |
| 959 | K | 78.1 | Confident | 71.1 | Confident | 115 Ų | 115 | 76.3 Ų | 76.3 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -55.7 | -30.2 | -174.8 | -67.7 | 178.3 | -178.8 | 178.5 | 0 | 114 | G945 H963 | G945-K959 VanDerWaalsContact O-CE 3.32Å; G945-K959 WeakPolarHBondContact O-CE 3.22Å; G945-K959 PolarHBondContact O-NZ 2.98Å; K959-H963 PolarHBondContact O-CD2 2.85Å; K959-H963 PolarHBondContact O-N 3.17Å |
| 960 | L | 80.2 | Confident | 69.4 | Low | 141 Ų | 141 | 84.4 Ų | 84.4 | 74% | 0.738 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -67 | -53.7 | 175.6 | -66.9 | 172 | 0 | 0 | 0 | 112.5 | C958 F962 H963 H964 | C958-L960 PolarHBondContact O-N 2.83Å; L960-F962 VanDerWaalsContact C-N 3.31Å; L960-F962 PolarHBondContact O-N 3.37Å; L960-H963 PolarHBondContact O-N 3.37Å; L960-H964 PolarHBondContact O-N 3.28Å |
| 961 | H | 76.9 | Confident | 67.6 | Low | 64 Ų | 64 | 88.5 Ų | 88.5 | 30% | 0.296 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -68.7 | -30.5 | -179 | -67.9 | 117.8 | 0 | 0 | 0 | 112.6 | T937 C938 Y957 C958 H964 R965 | T937-H961 HydrophobicContact CG2-CB 4.44Å; C938-H961 VanDerWaalsContact SG-CE1 3.55Å; Y957-H961 HydrophobicContact CD1-CB 4.49Å; C958-H961 PolarHBondContact O-N 3.15Å; C958-H961 VanDerWaalsContact O-N 3.14Å; C958-H961 PolarHBondContact SG-ND1 3.49Å; H961-H964 PolarHBondContact O-N 3.09Å; H961-R965 WeakPolarHBondContact O-CB 3.44Å; H961-R965 PolarHBondContact O-N 3.41Å |
| 962 | F | 79.1 | Confident | 66 | Low | 56 Ų | 56 | 92.2 Ų | 92.2 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 172.8 | -168.6 | -98.8 | 0 | 0 | 0 | 112.1 | A948 Y957 C958 L960 R965 N966 | A948-F962 HydrophobicContact CB-CB 3.83Å; A948-F962 HydrophobicContact CB-CD1 3.88Å; A948-F962 HydrophobicContact CB-CD2 3.68Å; A948-F962 HydrophobicContact CB-CE1 4.34Å; A948-F962 HydrophobicContact CB-CE2 4.17Å; A948-F962 HydrophobicContact CB-CG 3.51Å; A948-F962 HydrophobicContact CB-CZ 4.47Å; Y957-F962 HydrophobicContact CD2-CD2 4.34Å; C958-F962 PolarHBondContact O-N 2.84Å; L960-F962 VanDerWaalsContact C-N 3.31Å; L960-F962 PolarHBondContact O-N 3.37Å; F962-R965 PolarHBondContact O-N 3.28Å; F962-N966 PolarHBondContact O-N 3.04Å; F962-N966 VanDerWaalsContact O-N 3.09Å |
| 963 | H | 73.3 | Confident | 64.3 | Low | 128 Ų | 128 | 91.2 Ų | 91.2 | 59% | 0.593 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 174.4 | -95.8 | -75.9 | 0 | 0 | 0 | 112.7 | K959 L960 R965 N966 N967 | K959-H963 PolarHBondContact O-CD2 2.85Å; K959-H963 PolarHBondContact O-N 3.17Å; L960-H963 PolarHBondContact O-N 3.37Å; H963-R965 VanDerWaalsContact C-N 3.29Å; H963-R965 PolarHBondContact O-N 3.43Å; H963-N966 PolarHBondContact O-N 3.32Å; H963-N967 PolarHBondContact O-N 3.43Å; H963-N967 VanDerWaalsContact O-N 3.14Å |
| 964 | H | 67.6 | Low | 62.5 | Low | 128 Ų | 128 | 95.9 Ų | 95.9 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.9 | -37.3 | 179.2 | -160.4 | -55 | 0 | 0 | 0 | 112.2 | L960 H961 | L960-H964 PolarHBondContact O-N 3.28Å; H961-H964 PolarHBondContact O-N 3.09Å |
| 965 | R | 65.1 | Low | 61.2 | Low | 59 Ų | 59 | 100 Ų | 100 | 22% | 0.223 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 175.3 | -179.6 | 177.8 | 165 | 146 | 8.6 | 112.5 | E953 Y957 H961 F962 H963 N967 L968 R969 | E953-R965 IonicContact OE1-CZ 2.65Å; E953-R965 IonicContact OE1-NH1 3.83Å; E953-R965 PolarHBondContact OE1-NH1 2.78Å; E953-R965 IonicContact OE1-NH2 2.85Å; E953-R965 PolarHBondContact OE1-NH2 2.65Å; E953-R965 IonicContact OE2-NH1 2.78Å; E953-R965 PolarHBondContact OE2-NH1 3.14Å; E953-R965 VanDerWaalsContact OE2-NH1 3.13Å; Y957-R965 PolarHBondContact OH-NH1 3.46Å; H961-R965 WeakPolarHBondContact O-CB 3.44Å; H961-R965 PolarHBondContact O-N 3.41Å; F962-R965 PolarHBondContact O-N 3.28Å; H963-R965 VanDerWaalsContact C-N 3.29Å; H963-R965 PolarHBondContact O-N 3.43Å; R965-N967 VanDerWaalsContact C-N 3.33Å; R965-N967 PolarHBondContact O-N 3.37Å; R965-L968 PolarHBondContact O-N 3.39Å; R965-R969 PolarHBondContact O-N 3.04Å |
| 966 | N | 64.1 | Low | 59.1 | Low | 68 Ų | 68 | 102.1 Ų | 102.1 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.5 | -28.5 | -179.6 | -95.4 | -2.1 | 0 | 0 | 0 | 113.7 | F962 H963 R969 | F962-N966 PolarHBondContact O-N 3.04Å; F962-N966 VanDerWaalsContact O-N 3.09Å; H963-N966 PolarHBondContact O-N 3.32Å; N966-R969 PolarHBondContact O-N 3.06Å |
| 967 | N | 55.7 | Low | 56.6 | Low | 100 Ų | 100 | 106.9 Ų | 106.9 | 54% | 0.535 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.5 | -37.9 | 173.3 | -73.9 | -4.1 | 0 | 0 | 0 | 112.1 | H963 R965 R969 R970 | H963-N967 PolarHBondContact O-N 3.43Å; H963-N967 VanDerWaalsContact O-N 3.14Å; R965-N967 VanDerWaalsContact C-N 3.33Å; R965-N967 PolarHBondContact O-N 3.37Å; N967-R969 VanDerWaalsContact C-N 3.28Å; N967-R969 PolarHBondContact O-N 3.18Å; N967-R970 PolarHBondContact O-N 3.14Å; N967-R970 VanDerWaalsContact O-N 3.12Å |
| 968 | L | 53.3 | Low | 54.2 | Low | 114 Ų | 114 | 118 Ų | 118 | 60% | 0.597 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.2 | -22.8 | 176.6 | -72.1 | 164 | 0 | 0 | 0 | 113.6 | R965 T971 | R965-L968 PolarHBondContact O-N 3.39Å; L968-T971 PolarHBondContact O-OG1 3.31Å |
| 969 | R | 51.3 | Low | 51.6 | Low | 123 Ų | 123 | 122.9 Ų | 122.9 | 46% | 0.464 | 60% | 0.604 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -15.9 | 171.4 | -85.9 | -171 | 169.7 | 178.4 | -1 | 113.9 | E952 R965 N966 N967 | E952-R969 IonicContact OE1-CZ 3.97Å; E952-R969 IonicContact OE1-NH1 3.73Å; E952-R969 PolarHBondContact OE1-NH1 3.12Å; E952-R969 IonicContact OE1-NH2 3.13Å; E952-R969 IonicContact OE2-CZ 2.66Å; E952-R969 IonicContact OE2-NH1 3.35Å; E952-R969 PolarHBondContact OE2-NH1 3.37Å; E952-R969 IonicContact OE2-NH2 3.84Å; E952-R969 PolarHBondContact OE2-NH2 3.23Å; R965-R969 PolarHBondContact O-N 3.04Å; N966-R969 PolarHBondContact O-N 3.06Å; N967-R969 VanDerWaalsContact C-N 3.28Å; N967-R969 PolarHBondContact O-N 3.18Å |
| 970 | R | 42.6 | Very low | 49.2 | Very low | 208 Ų | 208 | 128.8 Ų | 128.8 | 79% | 0.785 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -8 | -176.2 | -75.8 | -177.6 | 169.5 | -169.7 | -5 | 114.8 | N967 | N967-R970 PolarHBondContact O-N 3.14Å; N967-R970 VanDerWaalsContact O-N 3.12Å |
| 971 | T | 37.4 | Very low | 46.8 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 1.3 | -177.5 | 47.9 | 0 | 0 | 0 | 0 | 114.6 | L968 | L968-T971 PolarHBondContact O-OG1 3.31Š|
| 972 | F | 33.3 | Very low | 44.5 | Very low | 182 Ų | 182 | 130 Ų | 130 | 80% | 0.798 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -127.1 | 56.3 | -177.1 | -73.4 | -77 | 0 | 0 | 0 | 112.8 | ||
| 973 | S | 31.1 | Very low | 42 | Very low | 101 Ų | 101 | 132.2 Ų | 132.2 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | trans | -157.1 | 95.8 | 168.6 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 974 | L | 27.6 | Very low | 39.8 | Very low | 174 Ų | 174 | 134 Ų | 134 | 91% | 0.911 | 66% | 0.661 | S | S | * | * | trans | -141.4 | 160.5 | 167.4 | -87.1 | 178.6 | 0 | 0 | 0 | 109.5 | ||||
| 975 | P | 46.3 | Very low | 37.9 | Very low | 102 Ų | 102 | 135.5 Ų | 135.5 | 66% | 0.662 | 67% | 0.672 | S | S | * | * | trans | -126.4 | -172.2 | -132.2 | 44.8 | -34.3 | 0 | 0 | 0 | 113.8 | ||||
| 976 | P | 33.3 | Very low | 36.1 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 84% | 0.844 | 70% | 0.695 | S | S | * | * | trans | -95.8 | 156.6 | 150.9 | 35.3 | -29.4 | 0 | 0 | 0 | 112.4 | ||||
| 977 | N | 28.4 | Very low | 34.5 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 60% | 0.599 | 71% | 0.712 | S | S | * | * | trans | -133.3 | 147.2 | -169.6 | 170.4 | 17.5 | 0 | 0 | 0 | 110.5 | N979 | N977-N979 PolarHBondContact ND2-OD1 3.5Å; N977-N979 PolarHBondContact OD1-N 3.26Å; N977-N979 PolarHBondContact OD1-OD1 2.87Å | ||
| 978 | R | 29.3 | Very low | 33.3 | Very low | 249 Ų | 249 | 141.8 Ų | 141.8 | 94% | 0.94 | 73% | 0.728 | S | S | * | * | trans | -131.8 | 103.8 | 157.2 | -86.3 | -167.2 | 167.2 | -173.3 | -3.9 | 112.3 | ||||
| 979 | N | 29.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 66% | 0.663 | 73% | 0.728 | S | S | * | * | trans | -57.4 | 167.7 | 167.7 | -46.1 | -69.4 | 0 | 0 | 0 | 111.6 | N977 | N977-N979 PolarHBondContact ND2-OD1 3.5Å; N977-N979 PolarHBondContact OD1-N 3.26Å; N977-N979 PolarHBondContact OD1-OD1 2.87Å | ||
| 980 | R | 27.6 | Very low | 31.1 | Very low | 239 Ų | 239 | 141.9 Ų | 141.9 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | cis | -158.4 | 170.8 | 42.5 | -83.6 | 179.4 | 165.7 | 159.8 | -7.5 | 108.2 | ||||
| 981 | A | 29.5 | Very low | 30.4 | Very low | 78 Ų | 78 | 135.6 Ų | 135.6 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | cis | -172.7 | 178.7 | -17.9 | 0 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 982 | Q | 28.8 | Very low | 30 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | cis | -146.7 | -151.3 | 1.3 | -137.1 | 155.7 | -106.1 | 0 | 0 | 105.5 | ||||
| 983 | D | 27 | Very low | 29.8 | Very low | 102 Ų | 102 | 136 Ų | 136 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | cis | -154.2 | 131.3 | -3.5 | -119.9 | -36.3 | 0 | 0 | 0 | 106.4 | ||||
| 984 | Q | 27.3 | Very low | 30.5 | Very low | 164 Ų | 164 | 136 Ų | 136 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | 77.1 | 155.5 | 108.9 | -82 | -170.8 | 60.6 | 0 | 0 | 119.6 | |||||
| 985 | I | 27.2 | Very low | 30.5 | Very low | 160 Ų | 160 | 133.3 Ų | 133.3 | 82% | 0.821 | 74% | 0.736 | S | S | * | * | trans | 73.8 | 94.4 | 178.3 | -50.2 | -178.1 | 0 | 0 | 0 | 113.5 | ||||
| 986 | A | 28.2 | Very low | 29.5 | Very low | 85 Ų | 85 | 133.4 Ų | 133.4 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | 86.3 | 119.8 | 74 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 987 | A | 29.8 | Very low | 29.2 | Very low | 86 Ų | 86 | 132.3 Ų | 132.3 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | 74.1 | 147 | 89.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 988 | E | 29.9 | Very low | 29.2 | Very low | 189 Ų | 189 | 131 Ų | 131 | 88% | 0.883 | 74% | 0.739 | S | S | * | * | cis | -145.8 | -175.7 | 7.3 | -109.7 | 133.7 | -136.4 | 0 | 0 | 108 | ||||
| 989 | G | 29.5 | Very low | 29.1 | Very low | 57 Ų | 57 | 127.7 Ų | 127.7 | 59% | 0.588 | 73% | 0.734 | S | S | * | * | cis | -167.6 | 155.3 | 3.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 990 | E | 30 | Very low | 29.1 | Very low | 181 Ų | 181 | 128.4 Ų | 128.4 | 85% | 0.846 | 74% | 0.737 | S | S | * | * | 94.8 | 146 | 88.3 | -76.5 | -125.7 | 134.4 | 0 | 0 | 113.8 | |||||
| 991 | S | 26.8 | Very low | 29 | Very low | 76 Ų | 76 | 125.4 Ų | 125.4 | 53% | 0.531 | 73% | 0.734 | S | S | . | * | cis | -167 | 156.4 | -18.3 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 992 | S | 28.7 | Very low | 28.8 | Very low | 105 Ų | 105 | 127 Ų | 127 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | 69.7 | 154.1 | 138.5 | 78.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 993 | Q | 30.6 | Very low | 29.9 | Very low | 187 Ų | 187 | 125 Ų | 125 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | cis | -156.3 | -174.1 | -16.9 | -114 | -157.3 | 14.9 | 0 | 0 | 111 | ||||
| 994 | P | 46 | Very low | 31.3 | Very low | 103 Ų | 103 | 125.8 Ų | 125.8 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -133.9 | -149.4 | -145.3 | 47.2 | -27.8 | 0 | 0 | 0 | 116 | ||||
| 995 | S | 25.8 | Very low | 31.2 | Very low | 116 Ų | 116 | 122.5 Ų | 122.5 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | trans | 84.5 | 154.7 | 166.1 | 82 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 996 | S | 25.8 | Very low | 31.2 | Very low | 105 Ų | 105 | 119.1 Ų | 119.1 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | cis | -148.9 | 178.3 | 3.8 | 68.1 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 997 | S | 26.8 | Very low | 31.2 | Very low | 107 Ų | 107 | 119.3 Ų | 119.3 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -45.3 | 170.1 | 160.8 | 41.1 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 998 | A | 28 | Very low | 31.1 | Very low | 83 Ų | 83 | 122.2 Ų | 122.2 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | cis | -176.4 | -172.3 | -17 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 999 | E | 28.5 | Very low | 30.9 | Very low | 180 Ų | 180 | 120.2 Ų | 120.2 | 84% | 0.841 | 75% | 0.749 | S | S | * | * | trans | 68 | 159.7 | 159.9 | -72.3 | 172.3 | -174.2 | 0 | 0 | 118.5 | ||||
| 1000 | L | 28.5 | Very low | 30.7 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 73% | 0.728 | 76% | 0.761 | S | S | * | * | cis | -160.3 | 160.5 | -37.1 | -157.3 | 78.7 | 0 | 0 | 0 | 109.8 | ||||
| 1001 | E | 25.6 | Very low | 30.4 | Very low | 177 Ų | 177 | 123.3 Ų | 123.3 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | 64.5 | -177.1 | 159.9 | -85.5 | 169.6 | -160.7 | 0 | 0 | 120.5 | ||||
| 1002 | S | 26.3 | Very low | 30.4 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 78% | 0.783 | 78% | 0.776 | S | S | * | * | trans | -147.4 | -150.9 | -138.1 | 59.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1003 | P | 50.8 | Low | 30.3 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | -116.4 | -148.5 | -128.1 | 39.9 | -16.8 | 0 | 0 | 0 | 111.8 | |||||
| 1004 | P | 56.3 | Low | 30.1 | Very low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | cis | -139.2 | -157.3 | -7 | 43.5 | -22.5 | 0 | 0 | 0 | 115.5 | ||||
| 1005 | A | 25.6 | Very low | 29.2 | Very low | 96 Ų | 96 | 130.9 Ų | 130.9 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 162.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1006 | A | 27.9 | Very low | 29.3 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | cis | -176.8 | 143.7 | -42.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1007 | A | 28.5 | Very low | 29.6 | Very low | 89 Ų | 89 | 133.9 Ų | 133.9 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | 61 | 161.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1008 | D | 27.3 | Very low | 29.6 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | cis | -152.7 | 162.1 | -10.3 | -102.6 | -33.8 | 0 | 0 | 0 | 107.8 | ||||
| 1009 | D | 26.1 | Very low | 29.5 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | 174.8 | 126.2 | 125.2 | -105.1 | -26.2 | 0 | 0 | 0 | 117.3 | |||||
| 1010 | F | 25.3 | Very low | 29.6 | Very low | 193 Ų | 193 | 140.7 Ų | 140.7 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 40.9 | 158.1 | 138.3 | -91.4 | -93.4 | 0 | 0 | 0 | 128 | ||||
| 1011 | C | 23.7 | Very low | 29.5 | Very low | 111 Ų | 111 | 137 Ų | 137 | 75% | 0.75 | 79% | 0.791 | S | S | * | * | trans | -101.6 | 161.3 | -164.8 | -44.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1012 | E | 26.1 | Very low | 29.6 | Very low | 201 Ų | 201 | 137.2 Ų | 137.2 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | -156.1 | -178.9 | 132.8 | -122.4 | 176.1 | -164.6 | 0 | 0 | 112.5 | ||||
| 1013 | A | 27.2 | Very low | 29.6 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 70% | 0.702 | 79% | 0.787 | S | S | * | * | trans | -139.4 | -176.9 | -133.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1014 | F | 25.5 | Very low | 28.4 | Very low | 175 Ų | 175 | 138 Ų | 138 | 77% | 0.768 | 78% | 0.784 | S | S | * | * | trans | 91.6 | 123.3 | 169.4 | -85.4 | -89.9 | 0 | 0 | 0 | 121.3 | ||||
| 1015 | E | 26.9 | Very low | 27.1 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | trans | 11.9 | 145.5 | 141.6 | -62.3 | 174.1 | 178 | 0 | 0 | 120.3 | ||||
| 1016 | A | 29.5 | Very low | 27.2 | Very low | 86 Ų | 86 | 147.9 Ų | 147.9 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | cis | -170.9 | -177.6 | -10.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1017 | H | 31.1 | Very low | 27.1 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | cis | -160.1 | 150.1 | 1.8 | -137.1 | -8.9 | 0 | 0 | 0 | 107.7 | ||||
| 1018 | G | 26.4 | Very low | 27.1 | Very low | 66 Ų | 66 | 154.4 Ų | 154.4 | 68% | 0.68 | 81% | 0.813 | S | S | * | * | trans | 177.8 | 144.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1019 | W | 26.9 | Very low | 27.1 | Very low | 270 Ų | 270 | 154.8 Ų | 154.8 | 100% | 1.023 | 82% | 0.815 | S | S | * | * | trans | -75.7 | 141.9 | 177 | -81.2 | 31.1 | 0 | 0 | 0 | 111.5 | ||||
| 1020 | L | 30.7 | Very low | 27.1 | Very low | 177 Ų | 177 | 155.4 Ų | 155.4 | 93% | 0.927 | 82% | 0.817 | S | S | * | * | trans | -131.7 | 151 | 171.6 | -97.1 | 170.5 | 0 | 0 | 0 | 111.1 | ||||
| 1021 | G | 26.8 | Very low | 27.2 | Very low | 62 Ų | 62 | 152.9 Ų | 152.9 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | trans | -138 | 178.2 | 161 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1022 | E | 27.3 | Very low | 27.5 | Very low | 181 Ų | 181 | 155.9 Ų | 155.9 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | 74.5 | 137.4 | 163.7 | -81.1 | -168.5 | 166.5 | 0 | 0 | 121.6 | ||||
| 1023 | I | 25 | Very low | 27.6 | Very low | 131 Ų | 131 | 152.4 Ų | 152.4 | 67% | 0.672 | 81% | 0.811 | S | S | * | * | trans | 95.4 | 109.8 | 138.4 | -77.9 | 164.3 | 0 | 0 | 0 | 120.5 | ||||
| 1024 | T | 25.6 | Very low | 27.6 | Very low | 110 Ų | 110 | 158 Ų | 158 | 68% | 0.675 | 82% | 0.82 | S | S | * | * | trans | 68.2 | 148.4 | 155.9 | 49.9 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1025 | F | 30.1 | Very low | 27.8 | Very low | 272 Ų | 272 | 156.5 Ų | 156.5 | 100% | 1.193 | 82% | 0.824 | S | S | * | * | cis | -100 | 0 | 8.8 | -79.4 | -101 | 0 | 0 | 0 | 114.5 |
Retrieved 1,025 of 1,025 residues in 1210.1 ms
(Link to these results)