| 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 | 78.5 | Confident | 85.8 | Confident | 208 Ų | 208 | 122.8 Ų | 122.8 | 100% | 1.025 | 73% | 0.727 | S | S | * | * | 0 | -48.7 | 0 | -162.2 | 175.7 | -73.8 | 0 | 0 | 111.9 | N3 | M1-N3 PolarHBondContact O-N 3.42Š| |||
| 2 | F | 90.1 | Very high | 86.2 | Confident | 154 Ų | 154 | 117.8 Ų | 117.8 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -91.3 | 11.9 | -174.9 | -57.1 | -60.9 | 0 | 0 | 0 | 116.2 | G4 I5 | F2-G4 PolarHBondContact O-N 3.11Å; F2-I5 HydrophobicContact CB-CD1 3.73Å; F2-I5 HydrophobicContact CB-CG1 4.1Å; F2-I5 HydrophobicContact CD1-CD1 3.67Å; F2-I5 HydrophobicContact CD1-CG1 4.29Å; F2-I5 HydrophobicContact CG-CD1 3.99Å; F2-I5 PolarHBondContact O-N 3.03Å |
| 3 | N | 85.8 | Confident | 86.5 | Confident | 171 Ų | 171 | 111.7 Ų | 111.7 | 91% | 0.914 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -62.9 | -15.7 | -179.1 | -66.8 | 2.5 | 0 | 0 | 0 | 113.6 | M1 | M1-N3 PolarHBondContact O-N 3.42Š|
| 4 | G | 87.4 | Confident | 86.8 | Confident | 69 Ų | 69 | 114.3 Ų | 114.3 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -103.1 | 11.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | F2 S6 | F2-G4 PolarHBondContact O-N 3.11Å; G4-S6 PolarHBondContact O-N 3.05Å; G4-S6 VanDerWaalsContact O-N 3.13Å |
| 5 | I | 88.8 | Confident | 87.2 | Confident | 123 Ų | 123 | 113.1 Ų | 113.1 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | trans | -70.8 | 111 | 175.9 | -63.8 | -177.6 | 0 | 0 | 0 | 108.9 | F2 | F2-I5 HydrophobicContact CB-CD1 3.73Å; F2-I5 HydrophobicContact CB-CG1 4.1Å; F2-I5 HydrophobicContact CD1-CD1 3.67Å; F2-I5 HydrophobicContact CD1-CG1 4.29Å; F2-I5 HydrophobicContact CG-CD1 3.99Å; F2-I5 PolarHBondContact O-N 3.03Å | ||
| 6 | S | 88.9 | Confident | 87.6 | Confident | 99 Ų | 99 | 107.1 Ų | 107.1 | 69% | 0.692 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.2 | 167.3 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | G4 T8 | G4-S6 PolarHBondContact O-N 3.05Å; G4-S6 VanDerWaalsContact O-N 3.13Å; S6-T8 PolarHBondContact O-N 3.06Å |
| 7 | P | 85.7 | Confident | 88 | Confident | 122 Ų | 122 | 103.8 Ų | 103.8 | 79% | 0.792 | 59% | 0.588 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 137 | 174.1 | 26.4 | -33.1 | 0 | 0 | 0 | 109.8 | ||
| 8 | T | 82.9 | Confident | 88.3 | Confident | 118 Ų | 118 | 108 Ų | 108 | 72% | 0.724 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 145.6 | 168.7 | 55.3 | 0 | 0 | 0 | 0 | 109.5 | S6 | S6-T8 PolarHBondContact O-N 3.06Š|
| 9 | P | 83.6 | Confident | 88.8 | Confident | 113 Ų | 113 | 104.6 Ų | 104.6 | 73% | 0.734 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -52 | 136.8 | 171.1 | -25.3 | 34 | 0 | 0 | 0 | 110.8 | V11 | P9-V11 PolarHBondContact O-N 3.34Š|
| 10 | P | 85.1 | Confident | 89.1 | Confident | 93 Ų | 93 | 100.9 Ų | 100.9 | 60% | 0.604 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 140.1 | 178.8 | 28.6 | -34.6 | 0 | 0 | 0 | 109.8 | E12 H15 | P10-E12 PolarHBondContact O-N 3.36Å; P10-H15 HydrophobicContact CB-CB 4.22Å |
| 11 | V | 86.8 | Confident | 89.5 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 49% | 0.491 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -65.2 | 118.6 | 171.5 | 173.6 | 0 | 0 | 0 | 0 | 108.4 | P9 V13 F14 H15 | P9-V11 PolarHBondContact O-N 3.34Å; V11-V13 HydrophobicContact CG1-CG1 3.89Å; V11-V13 PolarHBondContact O-N 3.08Å; V11-F14 HydrophobicContact CB-CD2 3.77Å; V11-F14 HydrophobicContact CB-CE2 4.36Å; V11-F14 HydrophobicContact CG1-CD2 3.7Å; V11-F14 HydrophobicContact CG1-CE2 3.98Å; V11-F14 PolarHBondContact O-N 3.11Å; V11-H15 PolarHBondContact O-N 3.44Å; V11-H15 VanDerWaalsContact O-N 3.12Å |
| 12 | E | 90.6 | Very high | 90.3 | Very high | 63 Ų | 63 | 97.9 Ų | 97.9 | 29% | 0.294 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -51.1 | -48.4 | -167.7 | -171.4 | -171.9 | 175.9 | 0 | 0 | 113.4 | P10 F14 H15 V16 L397 K398 | P10-E12 PolarHBondContact O-N 3.36Å; E12-F14 VanDerWaalsContact C-N 3.28Å; E12-F14 PolarHBondContact O-N 3.49Å; E12-H15 WeakPolarHBondContact O-CB 3.5Å; E12-H15 PolarHBondContact O-N 3.35Å; E12-H15 VanDerWaalsContact O-N 3.1Å; E12-V16 HydrophobicContact CG-CG2 4.14Å; E12-V16 WeakPolarHBondContact O-CG2 3.42Å; E12-V16 PolarHBondContact O-N 3.2Å; E12-L397 HydrophobicContact CG-CD2 4.1Å; E12-K398 VanDerWaalsContact OE1-CB 3.24Å; E12-K398 WeakPolarHBondContact OE1-CB 3.49Å; E12-K398 WeakPolarHBondContact OE1-CG 3.49Å; E12-K398 PolarHBondContact OE1-N 3.39Å |
| 13 | V | 90.3 | Very high | 90.7 | Very high | 38 Ų | 38 | 91.7 Ų | 91.7 | 23% | 0.23 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -58.9 | -37.2 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 112.8 | V11 N17 T32 L397 | V11-V13 HydrophobicContact CG1-CG1 3.89Å; V11-V13 PolarHBondContact O-N 3.08Å; V13-N17 VanDerWaalsContact O-CB 3.23Å; V13-N17 WeakPolarHBondContact O-CB 3.13Å; V13-N17 PolarHBondContact O-N 3.18Å; V13-N17 VanDerWaalsContact O-N 3.13Å; V13-T32 WeakPolarHBondContact CG2-O 3.29Å; V13-L397 HydrophobicContact CB-CD2 4.17Å |
| 14 | F | 90.6 | Very high | 91.2 | Very high | 148 Ų | 148 | 93.1 Ų | 93.1 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -76.7 | -35.3 | 178.2 | -61.6 | -53.6 | 0 | 0 | 0 | 111.7 | V11 E12 R18 | V11-F14 HydrophobicContact CB-CD2 3.77Å; V11-F14 HydrophobicContact CB-CE2 4.36Å; V11-F14 HydrophobicContact CG1-CD2 3.7Å; V11-F14 HydrophobicContact CG1-CE2 3.98Å; V11-F14 PolarHBondContact O-N 3.11Å; E12-F14 VanDerWaalsContact C-N 3.28Å; E12-F14 PolarHBondContact O-N 3.49Å; F14-R18 WeakPolarHBondContact O-CB 3.38Å; F14-R18 PolarHBondContact O-N 3.02Å |
| 15 | H | 92.7 | Very high | 91.7 | Very high | 96 Ų | 96 | 91.4 Ų | 91.4 | 44% | 0.444 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.3 | -53.2 | 175 | 177 | 69.4 | 0 | 0 | 0 | 111.6 | P10 V11 E12 N17 R18 C19 | P10-H15 HydrophobicContact CB-CB 4.22Å; V11-H15 PolarHBondContact O-N 3.44Å; V11-H15 VanDerWaalsContact O-N 3.12Å; E12-H15 WeakPolarHBondContact O-CB 3.5Å; E12-H15 PolarHBondContact O-N 3.35Å; E12-H15 VanDerWaalsContact O-N 3.1Å; H15-N17 VanDerWaalsContact C-N 3.32Å; H15-N17 PolarHBondContact O-N 3.06Å; H15-R18 WeakPolarHBondContact O-CA 3.37Å; H15-R18 WeakPolarHBondContact O-CB 3.39Å; H15-R18 PolarHBondContact O-N 3.13Å; H15-C19 PolarHBondContact O-N 3.23Å; H15-C19 PolarHBondContact O-SG 3.3Å; H15-C19 VanDerWaalsContact O-SG 3.37Å |
| 16 | V | 94.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 91.6 Ų | 91.6 | 11% | 0.109 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -63.2 | -40.1 | -179.3 | -179.1 | 0 | 0 | 0 | 0 | 110.8 | E12 R18 C19 F20 T32 Y395 | E12-V16 HydrophobicContact CG-CG2 4.14Å; E12-V16 WeakPolarHBondContact O-CG2 3.42Å; E12-V16 PolarHBondContact O-N 3.2Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 3.36Å; V16-C19 PolarHBondContact O-N 2.95Å; V16-F20 PolarHBondContact O-N 3.42Å; V16-T32 HydrophobicContact CB-CG2 3.94Å; V16-T32 HydrophobicContact CG1-CG2 3.42Å; V16-T32 VanDerWaalsContact CG1-CG2 3.42Å; V16-Y395 HydrophobicContact CG1-CD1 3.93Å; V16-Y395 HydrophobicContact CG1-CG 4.41Å |
| 17 | N | 93.8 | Very high | 92.4 | Very high | 51 Ų | 51 | 92.5 Ų | 92.5 | 27% | 0.273 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.2 | -37.5 | 173.7 | -177.1 | 69.1 | 0 | 0 | 0 | 112.1 | V13 H15 F20 Q21 N30 | V13-N17 VanDerWaalsContact O-CB 3.23Å; V13-N17 WeakPolarHBondContact O-CB 3.13Å; V13-N17 PolarHBondContact O-N 3.18Å; V13-N17 VanDerWaalsContact O-N 3.13Å; H15-N17 VanDerWaalsContact C-N 3.32Å; H15-N17 PolarHBondContact O-N 3.06Å; N17-F20 PolarHBondContact O-N 3.4Å; N17-Q21 WeakPolarHBondContact O-CG 3.27Å; N17-Q21 PolarHBondContact O-N 3.07Å; N17-Q21 VanDerWaalsContact O-N 3.08Å; N17-N30 PolarHBondContact OD1-ND2 2.93Å |
| 18 | R | 94.4 | Very high | 93 | Very high | 179 Ų | 179 | 89.6 Ų | 89.6 | 68% | 0.675 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -64 | -42.8 | 174.6 | -172.4 | 179.1 | -169.3 | 170.7 | 3.3 | 111.5 | F14 H15 V16 F20 Q21 L22 | F14-R18 WeakPolarHBondContact O-CB 3.38Å; F14-R18 PolarHBondContact O-N 3.02Å; H15-R18 WeakPolarHBondContact O-CA 3.37Å; H15-R18 WeakPolarHBondContact O-CB 3.39Å; H15-R18 PolarHBondContact O-N 3.13Å; V16-R18 VanDerWaalsContact C-N 3.31Å; V16-R18 PolarHBondContact O-N 3.36Å; R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 PolarHBondContact O-N 3.07Å; R18-Q21 PolarHBondContact O-N 3.42Å; R18-L22 HydrophobicContact CG-CD1 4.29Å; R18-L22 WeakPolarHBondContact O-CG 3.34Å; R18-L22 PolarHBondContact O-N 3.24Å; R18-L22 VanDerWaalsContact O-N 3.11Å |
| 19 | C | 96.2 | Very high | 93.7 | Very high | 43 Ų | 43 | 84.4 Ų | 84.4 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -58.9 | -45.8 | 175.4 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | H15 V16 Q21 L22 D23 Y395 | H15-C19 PolarHBondContact O-N 3.23Å; H15-C19 PolarHBondContact O-SG 3.3Å; H15-C19 VanDerWaalsContact O-SG 3.37Å; V16-C19 PolarHBondContact O-N 2.95Å; C19-Q21 VanDerWaalsContact C-N 3.31Å; C19-Q21 PolarHBondContact O-N 3.28Å; C19-L22 PolarHBondContact O-N 3.44Å; C19-L22 VanDerWaalsContact O-N 3.11Å; C19-D23 PolarHBondContact O-N 3.31Å; C19-Y395 HydrophobicContact CB-CD1 4.13Å; C19-Y395 HydrophobicContact CB-CE1 3.59Å |
| 20 | F | 96.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 79.6 Ų | 79.6 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57 | -39.9 | 173.9 | 167.2 | -95.3 | 0 | 0 | 0 | 113.5 | V16 N17 R18 L22 D23 K28 N30 Y395 | V16-F20 PolarHBondContact O-N 3.42Å; N17-F20 PolarHBondContact O-N 3.4Å; R18-F20 VanDerWaalsContact C-N 3.34Å; R18-F20 PolarHBondContact O-N 3.07Å; F20-L22 VanDerWaalsContact C-N 3.32Å; F20-D23 PolarHBondContact O-N 2.78Å; F20-K28 HydrophobicContact CD2-CB 4.32Å; F20-K28 HydrophobicContact CD2-CD 4.09Å; F20-K28 HydrophobicContact CD2-CG 4.21Å; F20-K28 HydrophobicContact CE2-CB 4.12Å; F20-K28 HydrophobicContact CE2-CD 3.79Å; F20-K28 HydrophobicContact CE2-CG 3.65Å; F20-K28 HydrophobicContact CZ-CD 4.35Å; F20-K28 HydrophobicContact CZ-CG 4.41Å; F20-K28 PolarHBondContact O-NZ 3.05Å; F20-N30 HydrophobicContact CD1-CB 3.81Å; F20-N30 WeakPolarHBondContact CD1-ND2 3.21Å; F20-N30 HydrophobicContact CD2-CB 3.63Å; F20-N30 HydrophobicContact CE1-CB 3.77Å; F20-N30 HydrophobicContact CE2-CB 3.57Å; F20-N30 HydrophobicContact CG-CB 3.74Å; F20-N30 HydrophobicContact CZ-CB 3.65Å; F20-Y395 HydrophobicContact CB-CD1 4.04Å; F20-Y395 HydrophobicContact CB-CD2 3.83Å; F20-Y395 HydrophobicContact CB-CE1 4.46Å; F20-Y395 HydrophobicContact CB-CE2 4.26Å; F20-Y395 HydrophobicContact CB-CG 3.71Å; F20-Y395 AromaticContact CD2-CD2 3.73Å; F20-Y395 HydrophobicContact CD2-CD2 3.73Å; F20-Y395 HydrophobicContact CD2-CE2 4.24Å; F20-Y395 HydrophobicContact CD2-CG 4.34Å; F20-Y395 HydrophobicContact CG-CD2 4.28Å |
| 21 | Q | 95.7 | Very high | 94.9 | Very high | 118 Ų | 118 | 75.2 Ų | 75.2 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -67.8 | -33.2 | 178.1 | -65 | -55.7 | -31.1 | 0 | 0 | 112.4 | N17 R18 C19 | N17-Q21 WeakPolarHBondContact O-CG 3.27Å; N17-Q21 PolarHBondContact O-N 3.07Å; N17-Q21 VanDerWaalsContact O-N 3.08Å; R18-Q21 PolarHBondContact O-N 3.42Å; C19-Q21 VanDerWaalsContact C-N 3.31Å; C19-Q21 PolarHBondContact O-N 3.28Å |
| 22 | L | 97 | Very high | 95.2 | Very high | 128 Ų | 128 | 71.3 Ų | 71.3 | 67% | 0.67 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -79.9 | -23.6 | 179.3 | -68 | 173 | 0 | 0 | 0 | 113.1 | R18 C19 F20 | R18-L22 HydrophobicContact CG-CD1 4.29Å; R18-L22 WeakPolarHBondContact O-CG 3.34Å; R18-L22 PolarHBondContact O-N 3.24Å; R18-L22 VanDerWaalsContact O-N 3.11Å; C19-L22 PolarHBondContact O-N 3.44Å; C19-L22 VanDerWaalsContact O-N 3.11Å; F20-L22 VanDerWaalsContact C-N 3.32Å |
| 23 | D | 97.7 | Very high | 94.8 | Very high | 23 Ų | 23 | 70.1 Ų | 70.1 | 12% | 0.123 | 34% | 0.336 | C | S | . | . | trans | -64.3 | 134.7 | 177.1 | -162.5 | -16.7 | 0 | 0 | 0 | 111.6 | C19 F20 D25 K28 H393 Y395 | C19-D23 PolarHBondContact O-N 3.31Å; F20-D23 PolarHBondContact O-N 2.78Å; D23-D25 WeakPolarHBondContact OD1-CB 3.26Å; D23-D25 PolarHBondContact OD1-N 3.06Å; D23-K28 HydrophobicContact CB-CD 3.88Å; D23-K28 WeakPolarHBondContact O-CD 3.3Å; D23-K28 WeakPolarHBondContact O-CE 3.38Å; D23-K28 PolarHBondContact O-NZ 2.86Å; D23-H393 IonicContact OD1-CE1 2.68Å; D23-H393 IonicContact OD1-ND1 2.79Å; D23-H393 PolarHBondContact OD1-ND1 3.02Å; D23-H393 IonicContact OD2-CE1 3.42Å; D23-H393 IonicContact OD2-CG 3.42Å; D23-H393 IonicContact OD2-ND1 3.46Å; D23-H393 PolarHBondContact OD2-ND1 3Å; D23-Y395 HydrophobicContact CB-CE2 4.11Å; D23-Y395 WeakPolarHBondContact CB-OH 3.29Å; D23-Y395 VanDerWaalsContact CG-OH 3.29Å; D23-Y395 VanDerWaalsContact OD2-CE2 3.23Å; D23-Y395 WeakPolarHBondContact OD2-CE2 3.4Å; D23-Y395 PolarHBondContact OD2-OH 3.48Å | ||
| 24 | K | 97.4 | Very high | 94.6 | Very high | 201 Ų | 201 | 70 Ų | 70 | 87% | 0.874 | 34% | 0.343 | S | S | * | . | trans | -106.5 | -5.2 | -179.6 | -63.3 | -176.4 | -179.4 | 178.8 | 0 | 112.8 | ||||
| 25 | D | 97.7 | Very high | 94.8 | Very high | 33 Ų | 33 | 63.5 Ų | 63.5 | 18% | 0.176 | 32% | 0.316 | C | S | . | . | trans | -64.7 | 130.6 | 179.9 | -167.4 | -66.9 | 0 | 0 | 0 | 110.3 | D23 R27 K28 H393 | D23-D25 WeakPolarHBondContact OD1-CB 3.26Å; D23-D25 PolarHBondContact OD1-N 3.06Å; D25-R27 PolarHBondContact O-N 3.45Å; D25-R27 WeakPolarHBondContact OD1-CA 3.5Å; D25-R27 WeakPolarHBondContact OD1-CB 3.31Å; D25-R27 WeakPolarHBondContact OD1-CG 3.49Å; D25-R27 IonicContact OD1-CZ 3.49Å; D25-R27 PolarHBondContact OD1-N 2.99Å; D25-R27 IonicContact OD1-NE 3.67Å; D25-R27 PolarHBondContact OD1-NE 3.11Å; D25-R27 IonicContact OD1-NH2 3.16Å; D25-R27 IonicContact OD2-CZ 3.77Å; D25-R27 IonicContact OD2-NE 2.62Å; D25-R27 PolarHBondContact OD2-NE 3.29Å; D25-R27 IonicContact OD2-NH2 3.74Å; D25-R27 PolarHBondContact OD2-NH2 3.42Å; D25-K28 WeakPolarHBondContact O-CB 3.44Å; D25-K28 WeakPolarHBondContact O-CG 3.5Å; D25-K28 PolarHBondContact O-N 3.38Å; D25-H393 HydrophobicContact CB-CB 4.28Å; D25-H393 WeakPolarHBondContact CB-ND1 3.48Å; D25-H393 IonicContact OD2-CD2 3.95Å; D25-H393 PolarHBondContact OD2-CD2 2.78Å; D25-H393 IonicContact OD2-CE1 3.54Å; D25-H393 IonicContact OD2-NE2 3.66Å; D25-H393 PolarHBondContact OD2-NE2 3.31Å | ||
| 26 | P | 96.1 | Very high | 94.9 | Very high | 128 Ų | 128 | 59.5 Ų | 59.5 | 83% | 0.831 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -17.3 | -178.8 | 27.6 | -35.8 | 0 | 0 | 0 | 113.8 | K28 | P26-K28 VanDerWaalsContact C-N 3.32Š|
| 27 | R | 96.3 | Very high | 94.9 | Very high | 118 Ų | 118 | 61.1 Ų | 61.1 | 45% | 0.445 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -7 | 179.3 | -55.7 | 169 | -68.7 | 161.5 | 3.7 | 112.7 | D25 V29 H393 Y414 | D25-R27 PolarHBondContact O-N 3.45Å; D25-R27 WeakPolarHBondContact OD1-CA 3.5Å; D25-R27 WeakPolarHBondContact OD1-CB 3.31Å; D25-R27 WeakPolarHBondContact OD1-CG 3.49Å; D25-R27 IonicContact OD1-CZ 3.49Å; D25-R27 PolarHBondContact OD1-N 2.99Å; D25-R27 IonicContact OD1-NE 3.67Å; D25-R27 PolarHBondContact OD1-NE 3.11Å; D25-R27 IonicContact OD1-NH2 3.16Å; D25-R27 IonicContact OD2-CZ 3.77Å; D25-R27 IonicContact OD2-NE 2.62Å; D25-R27 PolarHBondContact OD2-NE 3.29Å; D25-R27 IonicContact OD2-NH2 3.74Å; D25-R27 PolarHBondContact OD2-NH2 3.42Å; R27-V29 WeakPolarHBondContact O-CG2 3.49Å; R27-V29 PolarHBondContact O-N 2.87Å; R27-H393 PolarHBondContact NH2-CD2 2.64Å; R27-H393 VanDerWaalsContact NH2-CD2 3.32Å; R27-H393 PolarHBondContact NH2-NE2 3.19Å; R27-Y414 HydrophobicContact CB-CE1 3.99Å; R27-Y414 VanDerWaalsContact O-CE1 3.3Å; R27-Y414 WeakPolarHBondContact O-CE1 3.16Å |
| 28 | K | 97.6 | Very high | 94.9 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 27% | 0.265 | 29% | 0.294 | S | S | . | . | trans | -56.9 | 137.7 | -171.9 | 70.1 | 179.7 | -173.2 | 170.6 | 0 | 112.9 | F20 D23 D25 P26 H393 Y395 | F20-K28 HydrophobicContact CD2-CB 4.32Å; F20-K28 HydrophobicContact CD2-CD 4.09Å; F20-K28 HydrophobicContact CD2-CG 4.21Å; F20-K28 HydrophobicContact CE2-CB 4.12Å; F20-K28 HydrophobicContact CE2-CD 3.79Å; F20-K28 HydrophobicContact CE2-CG 3.65Å; F20-K28 HydrophobicContact CZ-CD 4.35Å; F20-K28 HydrophobicContact CZ-CG 4.41Å; F20-K28 PolarHBondContact O-NZ 3.05Å; D23-K28 HydrophobicContact CB-CD 3.88Å; D23-K28 WeakPolarHBondContact O-CD 3.3Å; D23-K28 WeakPolarHBondContact O-CE 3.38Å; D23-K28 PolarHBondContact O-NZ 2.86Å; D25-K28 WeakPolarHBondContact O-CB 3.44Å; D25-K28 WeakPolarHBondContact O-CG 3.5Å; D25-K28 PolarHBondContact O-N 3.38Å; P26-K28 VanDerWaalsContact C-N 3.32Å; K28-H393 CarbonylContact C-O 3.54Å; K28-H393 WeakPolarHBondContact CA-O 3.46Å; K28-H393 HydrophobicContact CB-CB 3.94Å; K28-Y395 HydrophobicContact CB-CE2 4.44Å | ||
| 29 | V | 97.5 | Very high | 94.9 | Very high | 9 Ų | 9 | 53.9 Ų | 53.9 | 6% | 0.055 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 135.4 | 177.5 | -177.9 | 0 | 0 | 0 | 0 | 110.2 | R27 L31 H393 I394 Y395 N411 Y414 V415 | R27-V29 WeakPolarHBondContact O-CG2 3.49Å; R27-V29 PolarHBondContact O-N 2.87Å; V29-L31 HydrophobicContact CG1-CD2 3.71Å; V29-L31 HydrophobicContact CG1-CG 4.05Å; V29-H393 PolarHBondContact N-O 2.76Å; V29-I394 HydrophobicContact CB-CG1 4.18Å; V29-I394 HydrophobicContact CG2-CG1 4.39Å; V29-Y395 PolarHBondContact O-N 3.05Å; V29-N411 HydrophobicContact CG2-CB 4.28Å; V29-Y414 HydrophobicContact CG2-CD1 4.12Å; V29-Y414 HydrophobicContact CG2-CE1 4.34Å; V29-V415 HydrophobicContact CB-CG2 4.34Å; V29-V415 HydrophobicContact CG1-CG2 4.03Å; V29-V415 HydrophobicContact CG2-CG2 4.06Å |
| 30 | N | 96.5 | Very high | 94.8 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 6% | 0.064 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 107.5 | 176.1 | -166.6 | -14.8 | 0 | 0 | 0 | 111.7 | N17 F20 T32 I33 | N17-N30 PolarHBondContact OD1-ND2 2.93Å; F20-N30 HydrophobicContact CD1-CB 3.81Å; F20-N30 WeakPolarHBondContact CD1-ND2 3.21Å; F20-N30 HydrophobicContact CD2-CB 3.63Å; F20-N30 HydrophobicContact CE1-CB 3.77Å; F20-N30 HydrophobicContact CE2-CB 3.57Å; F20-N30 HydrophobicContact CG-CB 3.74Å; F20-N30 HydrophobicContact CZ-CB 3.65Å; N30-T32 PolarHBondContact OD1-N 3.17Å; N30-T32 PolarHBondContact OD1-OG1 2.81Å; N30-I33 HydrophobicContact CB-CD1 4.17Å; N30-I33 HydrophobicContact CB-CG1 4.3Å; N30-I33 WeakPolarHBondContact ND2-CG1 3.41Å |
| 31 | L | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -103.2 | 6.9 | 175 | -55.2 | -177.7 | 0 | 0 | 0 | 112.5 | V29 I394 Y395 L396 I402 N403 L407 V415 F419 | V29-L31 HydrophobicContact CG1-CD2 3.71Å; V29-L31 HydrophobicContact CG1-CG 4.05Å; L31-I394 HydrophobicContact CD1-CG2 3.67Å; L31-I394 HydrophobicContact CG-CG2 4.21Å; L31-Y395 WeakPolarHBondContact CA-O 3.48Å; L31-Y395 WeakPolarHBondContact CB-O 3.43Å; L31-Y395 PolarHBondContact N-O 3.07Å; L31-L396 HydrophobicContact CB-CB 4.25Å; L31-I402 HydrophobicContact CB-CB 3.93Å; L31-I402 HydrophobicContact CB-CG2 3.9Å; L31-I402 HydrophobicContact CD1-CB 4.21Å; L31-I402 HydrophobicContact CD1-CG2 3.72Å; L31-I402 HydrophobicContact CG-CG2 4.45Å; L31-I402 CarbonylContact O-C 3.55Å; L31-I402 WeakPolarHBondContact O-CA 3.07Å; L31-N403 PolarHBondContact O-N 2.59Å; L31-L407 HydrophobicContact CD2-CD2 3.84Å; L31-L407 HydrophobicContact CD2-CG 4.09Å; L31-V415 HydrophobicContact CD1-CG1 4.12Å; L31-F419 HydrophobicContact CD1-CE2 4.43Å | ||
| 32 | T | 93.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | trans | -91.4 | -19.8 | -177.2 | 66.1 | 0 | 0 | 0 | 0 | 114.9 | V13 V16 N30 G34 L397 R401 | V13-T32 WeakPolarHBondContact CG2-O 3.29Å; V16-T32 HydrophobicContact CB-CG2 3.94Å; V16-T32 HydrophobicContact CG1-CG2 3.42Å; V16-T32 VanDerWaalsContact CG1-CG2 3.42Å; N30-T32 PolarHBondContact OD1-N 3.17Å; N30-T32 PolarHBondContact OD1-OG1 2.81Å; T32-G34 PolarHBondContact O-N 2.93Å; T32-L397 HydrophobicContact CG2-CD2 4.2Å; T32-R401 PolarHBondContact O-NH2 3.08Å | ||
| 33 | I | 82.9 | Confident | 94.3 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 20% | 0.195 | 30% | 0.303 | C | S | . | . | trans | -52.8 | 135.8 | -171.9 | -58.8 | 178.1 | 0 | 0 | 0 | 109.9 | N30 A35 N403 | N30-I33 HydrophobicContact CB-CD1 4.17Å; N30-I33 HydrophobicContact CB-CG1 4.3Å; N30-I33 WeakPolarHBondContact ND2-CG1 3.41Å; I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 HydrophobicContact CG2-CB 4.12Å; I33-A35 PolarHBondContact O-N 3.48Å; I33-N403 WeakPolarHBondContact O-CB 3.46Å; I33-N403 VanDerWaalsContact O-CG 3.32Å; I33-N403 PolarHBondContact O-ND2 3.35Å | ||
| 34 | G | 86.4 | Confident | 94.2 | Very high | 36 Ų | 36 | 58.5 Ų | 58.5 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | trans | -93.5 | 22.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T32 | T32-G34 PolarHBondContact O-N 2.93Š| ||
| 35 | A | 93.1 | Very high | 94.1 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 9% | 0.091 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -139.2 | 152.6 | -171 | 0 | 0 | 0 | 0 | 0 | 111.4 | I33 Y278 N403 | I33-A35 VanDerWaalsContact C-N 3.34Å; I33-A35 HydrophobicContact CG2-CB 4.12Å; I33-A35 PolarHBondContact O-N 3.48Å; A35-Y278 HydrophobicContact CB-CD1 3.96Å; A35-Y278 HydrophobicContact CB-CD2 4.24Å; A35-Y278 HydrophobicContact CB-CE1 3.64Å; A35-Y278 HydrophobicContact CB-CE2 3.96Å; A35-Y278 HydrophobicContact CB-CG 4.27Å; A35-N403 PolarHBondContact O-ND2 2.9Å |
| 36 | Y | 95.2 | Very high | 94 | Very high | 11 Ų | 11 | 51.2 Ų | 51.2 | 4% | 0.043 | 28% | 0.275 | C | S | . | . | trans | -60.4 | 144.3 | 172.5 | -178.6 | -91.4 | 0 | 0 | 0 | 111.3 | W44 F243 Y278 M341 R344 V345 C405 | Y36-W44 HydrophobicContact CD1-CB 3.7Å; Y36-W44 HydrophobicContact CD1-CD2 4.39Å; Y36-W44 AromaticContact CD1-CE3 3.89Å; Y36-W44 HydrophobicContact CD1-CE3 3.89Å; Y36-W44 HydrophobicContact CD1-CG 4.39Å; Y36-W44 HydrophobicContact CE1-CB 3.7Å; Y36-W44 AromaticContact CE1-CD2 3.81Å; Y36-W44 HydrophobicContact CE1-CD2 3.81Å; Y36-W44 AromaticContact CE1-CE3 3.46Å; Y36-W44 HydrophobicContact CE1-CE3 3.46Å; Y36-W44 VanDerWaalsContact CE1-CE3 3.46Å; Y36-W44 AromaticContact CE1-CG 3.98Å; Y36-W44 HydrophobicContact CE1-CG 3.98Å; Y36-W44 HydrophobicContact CE1-CZ3 4.3Å; Y36-F243 AromaticContact CD2-CE2 3.95Å; Y36-F243 HydrophobicContact CD2-CE2 3.95Å; Y36-F243 HydrophobicContact CD2-CZ 4.09Å; Y36-Y278 PolarHBondContact N-OH 3.15Å; Y36-M341 HydrophobicContact CD1-CG 4.47Å; Y36-M341 HydrophobicContact CD1-SD 4.28Å; Y36-M341 HydrophobicContact CD2-CB 4.11Å; Y36-M341 HydrophobicContact CD2-CG 4Å; Y36-M341 HydrophobicContact CD2-SD 4.14Å; Y36-M341 HydrophobicContact CE1-CG 4.14Å; Y36-M341 HydrophobicContact CE2-CB 3.7Å; Y36-M341 HydrophobicContact CE2-CG 3.65Å; Y36-M341 HydrophobicContact CE2-SD 4.38Å; Y36-M341 HydrophobicContact CG-CG 4.39Å; Y36-M341 HydrophobicContact CG-SD 4.08Å; Y36-R344 WeakPolarHBondContact OH-CD 3.25Å; Y36-V345 HydrophobicContact CE2-CG2 4.47Å; Y36-C405 WeakPolarHBondContact CD2-SG 3.19Å | ||
| 37 | R | 94.9 | Very high | 94.1 | Very high | 52 Ų | 52 | 47 Ų | 47 | 20% | 0.196 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -136.9 | 146.7 | 175.3 | -63.7 | -65.7 | 178.6 | -106.4 | 7.4 | 109.2 | K42 R344 C405 | R37-K42 VanDerWaalsContact CA-O 3.31Å; R37-K42 WeakPolarHBondContact CA-O 3.14Å; R37-K42 WeakPolarHBondContact CD-O 3.33Å; R37-R344 PolarHBondContact O-NE 3.38Å; R37-R344 PolarHBondContact O-NH2 2.88Å; R37-C405 HydrophobicContact CB-CB 4.16Å |
| 38 | T | 94.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 41.4 Ų | 41.4 | 12% | 0.117 | 23% | 0.226 | C | C | . | . | trans | -69.7 | 175.6 | 173.3 | 68.6 | 0 | 0 | 0 | 0 | 111 | E40 G41 K42 W44 R344 | T38-E40 WeakPolarHBondContact CB-OE2 3.36Å; T38-E40 PolarHBondContact O-N 2.94Å; T38-E40 PolarHBondContact OG1-N 3.06Å; T38-E40 PolarHBondContact OG1-OE2 3.12Å; T38-G41 PolarHBondContact O-N 3.32Å; T38-K42 PolarHBondContact N-O 3.48Å; T38-K42 PolarHBondContact OG1-N 2.81Å; T38-W44 HydrophobicContact CG2-CB 3.72Å; T38-W44 HydrophobicContact CG2-CG 3.87Å; T38-R344 PolarHBondContact O-NH2 3.33Å | ||
| 39 | D | 94.4 | Very high | 94.2 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 32% | 0.316 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -31.7 | 173.9 | -160.9 | 60.5 | 0 | 0 | 0 | 111.9 | G41 N408 S409 | D39-G41 PolarHBondContact O-N 3.32Å; D39-G41 VanDerWaalsContact O-N 3.11Å; D39-N408 WeakPolarHBondContact O-CB 3.37Å; D39-N408 VanDerWaalsContact O-CG 3.27Å; D39-N408 PolarHBondContact O-ND2 3.49Å; D39-N408 WeakPolarHBondContact OD1-CA 3.47Å; D39-N408 VanDerWaalsContact OD1-CB 3.26Å; D39-N408 WeakPolarHBondContact OD1-CB 3.44Å; D39-S409 PolarHBondContact OD1-N 3.27Å; D39-S409 WeakPolarHBondContact OD2-CB 3.2Å; D39-S409 PolarHBondContact OD2-OG 3.45Å |
| 40 | E | 93.5 | Very high | 94.2 | Very high | 133 Ų | 133 | 43.9 Ų | 43.9 | 62% | 0.621 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | 6.2 | 174.3 | -48.5 | 73.1 | -156.9 | 0 | 0 | 113.3 | T38 K42 | T38-E40 WeakPolarHBondContact CB-OE2 3.36Å; T38-E40 PolarHBondContact O-N 2.94Å; T38-E40 PolarHBondContact OG1-N 3.06Å; T38-E40 PolarHBondContact OG1-OE2 3.12Å; E40-K42 VanDerWaalsContact C-N 3.26Å; E40-K42 HydrophobicContact CB-CD 4.49Å; E40-K42 HydrophobicContact CB-CG 4.38Å; E40-K42 PolarHBondContact O-N 3.11Å |
| 41 | G | 92 | Very high | 94.3 | Very high | 39 Ų | 39 | 45 Ų | 45 | 40% | 0.402 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 72.2 | 13.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T38 D39 | T38-G41 PolarHBondContact O-N 3.32Å; D39-G41 PolarHBondContact O-N 3.32Å; D39-G41 VanDerWaalsContact O-N 3.11Å |
| 42 | K | 93.5 | Very high | 94.3 | Very high | 136 Ų | 136 | 45 Ų | 45 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | trans | -88.8 | 151 | -177.6 | -67 | 179.9 | -178.8 | 174.1 | 0 | 111.9 | R37 T38 E40 W44 | R37-K42 VanDerWaalsContact CA-O 3.31Å; R37-K42 WeakPolarHBondContact CA-O 3.14Å; R37-K42 WeakPolarHBondContact CD-O 3.33Å; T38-K42 PolarHBondContact N-O 3.48Å; T38-K42 PolarHBondContact OG1-N 2.81Å; E40-K42 VanDerWaalsContact C-N 3.26Å; E40-K42 HydrophobicContact CB-CD 4.49Å; E40-K42 HydrophobicContact CB-CG 4.38Å; E40-K42 PolarHBondContact O-N 3.11Å; K42-W44 PolarHBondContact O-N 2.87Å | ||
| 43 | P | 93.8 | Very high | 94.5 | Very high | 91 Ų | 91 | 48.6 Ų | 48.6 | 59% | 0.591 | 26% | 0.255 | S | S | * | . | B | Isolated β-bridge | trans | -54.9 | 138 | 162.7 | -21.1 | 32.8 | 0 | 0 | 0 | 110.1 | ||
| 44 | W | 93.8 | Very high | 95.2 | Very high | 41 Ų | 41 | 54 Ų | 54 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | trans | -110.4 | 121.8 | 176.6 | -166.5 | 50.1 | 0 | 0 | 0 | 109.7 | Y36 T38 K42 L46 P47 N337 E340 M341 | Y36-W44 HydrophobicContact CD1-CB 3.7Å; Y36-W44 HydrophobicContact CD1-CD2 4.39Å; Y36-W44 AromaticContact CD1-CE3 3.89Å; Y36-W44 HydrophobicContact CD1-CE3 3.89Å; Y36-W44 HydrophobicContact CD1-CG 4.39Å; Y36-W44 HydrophobicContact CE1-CB 3.7Å; Y36-W44 AromaticContact CE1-CD2 3.81Å; Y36-W44 HydrophobicContact CE1-CD2 3.81Å; Y36-W44 AromaticContact CE1-CE3 3.46Å; Y36-W44 HydrophobicContact CE1-CE3 3.46Å; Y36-W44 VanDerWaalsContact CE1-CE3 3.46Å; Y36-W44 AromaticContact CE1-CG 3.98Å; Y36-W44 HydrophobicContact CE1-CG 3.98Å; Y36-W44 HydrophobicContact CE1-CZ3 4.3Å; T38-W44 HydrophobicContact CG2-CB 3.72Å; T38-W44 HydrophobicContact CG2-CG 3.87Å; K42-W44 PolarHBondContact O-N 2.87Å; W44-L46 HydrophobicContact CE3-CD1 4.14Å; W44-L46 HydrophobicContact CE3-CG 4.21Å; W44-L46 HydrophobicContact CZ3-CD1 4.34Å; W44-L46 HydrophobicContact CZ3-CG 3.95Å; W44-P47 HydrophobicContact CZ2-CG 4.27Å; W44-N337 HydrophobicContact CH2-CB 4.08Å; W44-N337 HydrophobicContact CZ3-CB 4.47Å; W44-E340 HydrophobicContact CH2-CG 4.41Å; W44-E340 WeakPolarHBondContact CZ2-OE1 3.36Å; W44-M341 HydrophobicContact CE3-CG 3.76Å; W44-M341 HydrophobicContact CE3-SD 3.78Å; W44-M341 HydrophobicContact CH2-CG 4.15Å; W44-M341 HydrophobicContact CZ3-CE 4.31Å; W44-M341 HydrophobicContact CZ3-CG 3.21Å; W44-M341 HydrophobicContact CZ3-SD 3.56Å; W44-M341 VanDerWaalsContact CZ3-SD 3.56Å | ||
| 45 | I | 95.7 | Very high | 95.7 | Very high | 79 Ų | 79 | 55.6 Ų | 55.6 | 41% | 0.405 | 28% | 0.279 | S | S | . | . | trans | -93.3 | 121 | 167.9 | -52.8 | 172.4 | 0 | 0 | 0 | 105.6 | V49 R50 | I45-V49 HydrophobicContact CG2-CB 4.43Å; I45-V49 HydrophobicContact CG2-CG1 4.24Å; I45-R50 HydrophobicContact CB-CG 4.26Å; I45-R50 HydrophobicContact CG2-CG 3.6Å | ||
| 46 | L | 97 | Very high | 95.8 | Very high | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 28% | 0.276 | C | S | . | . | trans | -58.5 | 133.9 | -177.8 | -76.1 | 68.5 | 0 | 0 | 0 | 109.2 | W44 V48 V49 R50 N274 F275 N337 M341 | W44-L46 HydrophobicContact CE3-CD1 4.14Å; W44-L46 HydrophobicContact CE3-CG 4.21Å; W44-L46 HydrophobicContact CZ3-CD1 4.34Å; W44-L46 HydrophobicContact CZ3-CG 3.95Å; L46-V48 HydrophobicContact CB-CG1 4.08Å; L46-V48 HydrophobicContact CD2-CG1 4.37Å; L46-V48 PolarHBondContact O-N 2.87Å; L46-V48 VanDerWaalsContact O-N 3.13Å; L46-V49 HydrophobicContact CB-CB 4.28Å; L46-V49 HydrophobicContact CB-CG2 4.03Å; L46-V49 WeakPolarHBondContact O-CB 3.28Å; L46-V49 PolarHBondContact O-N 3.4Å; L46-R50 PolarHBondContact O-N 3.07Å; L46-R50 VanDerWaalsContact O-N 3.16Å; L46-N274 WeakPolarHBondContact CD2-O 3.48Å; L46-F275 WeakPolarHBondContact CD1-O 3.36Å; L46-N337 HydrophobicContact CD2-CB 4.03Å; L46-N337 HydrophobicContact CG-CB 4.3Å; L46-M341 HydrophobicContact CD1-CE 4.5Å; L46-M341 HydrophobicContact CD1-SD 4.4Å; L46-M341 HydrophobicContact CD2-CE 3.99Å; L46-M341 HydrophobicContact CG-CE 4.41Å | ||
| 47 | P | 97.4 | Very high | 95.7 | Very high | 41 Ų | 41 | 59.6 Ų | 59.6 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -51.9 | -35.7 | 176.8 | -30.3 | 35.6 | 0 | 0 | 0 | 113.9 | W44 E51 N337 | W44-P47 HydrophobicContact CZ2-CG 4.27Å; P47-E51 PolarHBondContact O-N 2.67Å; P47-N337 WeakPolarHBondContact CD-OD1 3.47Å |
| 48 | V | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -67.5 | -33.4 | 175.6 | 73.2 | 0 | 0 | 0 | 0 | 113.3 | L46 E51 A52 V324 L330 K333 W334 N337 | L46-V48 HydrophobicContact CB-CG1 4.08Å; L46-V48 HydrophobicContact CD2-CG1 4.37Å; L46-V48 PolarHBondContact O-N 2.87Å; L46-V48 VanDerWaalsContact O-N 3.13Å; V48-E51 PolarHBondContact O-N 3.44Å; V48-A52 PolarHBondContact O-N 3.02Å; V48-V324 HydrophobicContact CG2-CB 4.5Å; V48-V324 HydrophobicContact CG2-CG1 3.83Å; V48-V324 HydrophobicContact CG2-CG2 3.86Å; V48-L330 HydrophobicContact CG2-CB 4.09Å; V48-L330 HydrophobicContact CG2-CD2 4.26Å; V48-L330 VanDerWaalsContact CG2-O 3.26Å; V48-L330 WeakPolarHBondContact CG2-O 3.15Å; V48-K333 HydrophobicContact CB-CB 4.45Å; V48-K333 HydrophobicContact CB-CD 4.29Å; V48-K333 HydrophobicContact CB-CG 4.13Å; V48-K333 HydrophobicContact CG2-CB 4.23Å; V48-K333 HydrophobicContact CG2-CD 4.45Å; V48-K333 HydrophobicContact CG2-CG 4.38Å; V48-W334 HydrophobicContact CB-CB 4.44Å; V48-W334 HydrophobicContact CG1-CB 3.88Å; V48-W334 HydrophobicContact CG1-CG 4.4Å; V48-W334 HydrophobicContact CG2-CB 4.18Å; V48-N337 PolarHBondContact N-OD1 3.17Å |
| 49 | V | 98 | Very high | 95.4 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71.1 | -42.9 | 178.3 | 169.7 | 0 | 0 | 0 | 0 | 110.3 | I45 L46 E51 A52 E53 F275 L277 L320 | I45-V49 HydrophobicContact CG2-CB 4.43Å; I45-V49 HydrophobicContact CG2-CG1 4.24Å; L46-V49 HydrophobicContact CB-CB 4.28Å; L46-V49 HydrophobicContact CB-CG2 4.03Å; L46-V49 WeakPolarHBondContact O-CB 3.28Å; L46-V49 PolarHBondContact O-N 3.4Å; V49-E51 PolarHBondContact O-N 2.82Å; V49-A52 WeakPolarHBondContact O-CB 3.34Å; V49-A52 PolarHBondContact O-N 3.43Å; V49-A52 VanDerWaalsContact O-N 3.09Å; V49-E53 HydrophobicContact CG1-CG 4.36Å; V49-E53 WeakPolarHBondContact O-CG 3.44Å; V49-E53 PolarHBondContact O-N 2.84Å; V49-F275 HydrophobicContact CG2-CD1 3.99Å; V49-F275 WeakPolarHBondContact CG2-O 3.25Å; V49-L277 HydrophobicContact CG1-CD2 3.83Å; V49-L320 HydrophobicContact CG1-CD1 4.46Å |
| 50 | R | 97.9 | Very high | 95.2 | Very high | 119 Ų | 119 | 71.3 Ų | 71.3 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -56.9 | -39.2 | 173.5 | -67.7 | -175 | -179.7 | 144.6 | 0.9 | 112.2 | I45 L46 E53 Q54 | I45-R50 HydrophobicContact CB-CG 4.26Å; I45-R50 HydrophobicContact CG2-CG 3.6Å; L46-R50 PolarHBondContact O-N 3.07Å; L46-R50 VanDerWaalsContact O-N 3.16Å; R50-E53 PolarHBondContact O-N 2.97Å; R50-Q54 WeakPolarHBondContact O-CG 3.38Å; R50-Q54 PolarHBondContact O-N 3.39Å; R50-Q54 VanDerWaalsContact O-N 3.08Å |
| 51 | E | 98 | Very high | 95.1 | Very high | 35 Ų | 35 | 68.1 Ų | 68.1 | 16% | 0.164 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.8 | -41.5 | 177.3 | -169.8 | 172.6 | 167.8 | 0 | 0 | 111.6 | P47 V48 V49 Q54 L55 R329 L330 K333 | P47-E51 PolarHBondContact O-N 2.67Å; V48-E51 PolarHBondContact O-N 3.44Å; V49-E51 PolarHBondContact O-N 2.82Å; E51-Q54 PolarHBondContact O-N 2.87Å; E51-L55 WeakPolarHBondContact O-CG 3.26Å; E51-L55 PolarHBondContact O-N 3.39Å; E51-R329 IonicContact OE1-CZ 3.48Å; E51-R329 IonicContact OE1-NH1 2.94Å; E51-R329 PolarHBondContact OE1-NH1 2.81Å; E51-R329 IonicContact OE1-NH2 2.76Å; E51-R329 PolarHBondContact OE1-NH2 3.3Å; E51-R329 IonicContact OE2-NH1 2.64Å; E51-L330 HydrophobicContact CB-CD2 4.44Å; E51-L330 HydrophobicContact CG-CD2 3.92Å; E51-L330 WeakPolarHBondContact OE1-CD2 3.44Å; E51-K333 IonicContact OE2-NZ 3.36Å; E51-K333 PolarHBondContact OE2-NZ 3.35Å |
| 52 | A | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V48 V49 Q54 L55 L56 L320 I323 V324 | V48-A52 PolarHBondContact O-N 3.02Å; V49-A52 WeakPolarHBondContact O-CB 3.34Å; V49-A52 PolarHBondContact O-N 3.43Å; V49-A52 VanDerWaalsContact O-N 3.09Å; A52-Q54 VanDerWaalsContact C-N 3.31Å; A52-Q54 PolarHBondContact O-N 3.37Å; A52-L55 PolarHBondContact O-N 3.05Å; A52-L56 PolarHBondContact O-N 3.46Å; A52-L320 HydrophobicContact CB-CD2 4.1Å; A52-I323 HydrophobicContact CB-CB 4.27Å; A52-I323 HydrophobicContact CB-CG2 3.85Å; A52-V324 HydrophobicContact CB-CG2 3.76Å |
| 53 | E | 97.4 | Very high | 94.8 | Very high | 77 Ų | 77 | 65.3 Ų | 65.3 | 36% | 0.36 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.1 | -36.4 | 175.1 | -73.1 | 172.2 | 158.8 | 0 | 0 | 112.1 | V49 R50 P57 L320 | V49-E53 HydrophobicContact CG1-CG 4.36Å; V49-E53 WeakPolarHBondContact O-CG 3.44Å; V49-E53 PolarHBondContact O-N 2.84Å; R50-E53 PolarHBondContact O-N 2.97Å; E53-P57 VanDerWaalsContact O-CD 3.28Å; E53-P57 WeakPolarHBondContact O-CD 3.36Å; E53-L320 HydrophobicContact CB-CD2 4.43Å; E53-L320 HydrophobicContact CG-CD1 3.93Å; E53-L320 HydrophobicContact CG-CD2 3.85Å |
| 54 | Q | 97.3 | Very high | 94.7 | Very high | 151 Ų | 151 | 69.5 Ų | 69.5 | 71% | 0.706 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.5 | -31.7 | 175.7 | -73.5 | 172.3 | -6.5 | 0 | 0 | 113 | R50 E51 A52 | R50-Q54 WeakPolarHBondContact O-CG 3.38Å; R50-Q54 PolarHBondContact O-N 3.39Å; R50-Q54 VanDerWaalsContact O-N 3.08Å; E51-Q54 PolarHBondContact O-N 2.87Å; A52-Q54 VanDerWaalsContact C-N 3.31Å; A52-Q54 PolarHBondContact O-N 3.37Å |
| 55 | L | 96.3 | Very high | 94.8 | Very high | 70 Ų | 70 | 74.4 Ų | 74.4 | 37% | 0.366 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -78.8 | -25.2 | 177.7 | -66.8 | 171.6 | 0 | 0 | 0 | 112.5 | E51 A52 S58 I323 L330 | E51-L55 WeakPolarHBondContact O-CG 3.26Å; E51-L55 PolarHBondContact O-N 3.39Å; A52-L55 PolarHBondContact O-N 3.05Å; L55-S58 PolarHBondContact O-N 3.24Å; L55-S58 PolarHBondContact O-OG 3.25Å; L55-I323 HydrophobicContact CD1-CG2 4.12Å; L55-L330 HydrophobicContact CD1-CD1 4.01Å |
| 56 | L | 94.6 | Very high | 94.8 | Very high | 4 Ų | 4 | 80.2 Ų | 80.2 | 2% | 0.021 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -59.5 | -46.1 | -171 | -174.9 | 68.4 | 0 | 0 | 0 | 114.1 | A52 S58 R59 H62 H316 K319 L320 I323 | A52-L56 PolarHBondContact O-N 3.46Å; L56-S58 VanDerWaalsContact C-N 3.25Å; L56-S58 PolarHBondContact O-N 2.81Å; L56-R59 PolarHBondContact O-N 2.9Å; L56-H62 HydrophobicContact CD1-CB 4.41Å; L56-H62 WeakPolarHBondContact CD1-ND1 3.3Å; L56-H62 WeakPolarHBondContact O-CB 3.43Å; L56-H316 WeakPolarHBondContact CD2-CE1 3.37Å; L56-K319 HydrophobicContact CD1-CB 4.16Å; L56-K319 HydrophobicContact CD1-CG 3.49Å; L56-K319 VanDerWaalsContact CD1-CG 3.49Å; L56-L320 HydrophobicContact CB-CD2 4.42Å; L56-L320 HydrophobicContact CD2-CD2 4.05Å; L56-I323 HydrophobicContact CB-CD1 4.23Å; L56-I323 HydrophobicContact CD1-CD1 3.68Å |
| 57 | P | 93.3 | Very high | 94.8 | Very high | 101 Ų | 101 | 81.4 Ų | 81.4 | 66% | 0.656 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -66.9 | -21.5 | -175.2 | -22.6 | 34.8 | 0 | 0 | 0 | 114.8 | E53 | E53-P57 VanDerWaalsContact O-CD 3.28Å; E53-P57 WeakPolarHBondContact O-CD 3.36Å |
| 58 | S | 92.5 | Very high | 94.8 | Very high | 95 Ų | 95 | 83 Ų | 83 | 66% | 0.664 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -91.7 | -1.5 | -178.3 | 59.4 | 0 | 0 | 0 | 0 | 113.7 | L55 L56 | L55-S58 PolarHBondContact O-N 3.24Å; L55-S58 PolarHBondContact O-OG 3.25Å; L56-S58 VanDerWaalsContact C-N 3.25Å; L56-S58 PolarHBondContact O-N 2.81Å |
| 59 | R | 91.9 | Very high | 94.8 | Very high | 86 Ų | 86 | 85.1 Ų | 85.1 | 33% | 0.325 | 42% | 0.417 | S | S | . | . | trans | -84.1 | 131.9 | 179.1 | -66 | -175.4 | 63.6 | 115.2 | 0.1 | 111.5 | L56 D61 H62 E322 | L56-R59 PolarHBondContact O-N 2.9Å; R59-D61 VanDerWaalsContact CB-OD1 3.3Å; R59-D61 WeakPolarHBondContact CB-OD1 3.45Å; R59-D61 IonicContact CZ-OD1 2.73Å; R59-D61 IonicContact CZ-OD2 3.5Å; R59-D61 IonicContact NE-OD1 3.91Å; R59-D61 PolarHBondContact NE-OD1 2.95Å; R59-D61 IonicContact NE-OD2 2.75Å; R59-D61 IonicContact NH2-OD1 3.91Å; R59-D61 PolarHBondContact NH2-OD1 3.47Å; R59-D61 IonicContact NH2-OD2 3.49Å; R59-D61 PolarHBondContact NH2-OD2 2.89Å; R59-D61 PolarHBondContact O-N 3.45Å; R59-H62 HydrophobicContact CB-CB 4.23Å; R59-H62 VanDerWaalsContact O-CB 3.28Å; R59-H62 WeakPolarHBondContact O-CB 3.26Å; R59-H62 PolarHBondContact O-N 2.75Å; R59-H62 VanDerWaalsContact O-N 3.08Å; R59-E322 IonicContact NH2-OE1 3.64Å | ||
| 60 | E | 90.2 | Very high | 94.8 | Very high | 196 Ų | 196 | 86.1 Ų | 86.1 | 92% | 0.916 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -30.1 | 175.6 | -63.9 | -178.3 | 171 | 0 | 0 | 113.1 | H62 | E60-H62 VanDerWaalsContact C-N 3.25Å; E60-H62 PolarHBondContact O-N 2.97Å |
| 61 | D | 90 | Very high | 94.9 | Very high | 65 Ų | 65 | 80.5 Ų | 80.5 | 35% | 0.348 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5.8 | 177.4 | 69 | -1.3 | 0 | 0 | 0 | 113.6 | R59 T63 K319 | R59-D61 VanDerWaalsContact CB-OD1 3.3Å; R59-D61 WeakPolarHBondContact CB-OD1 3.45Å; R59-D61 IonicContact CZ-OD1 2.73Å; R59-D61 IonicContact CZ-OD2 3.5Å; R59-D61 IonicContact NE-OD1 3.91Å; R59-D61 PolarHBondContact NE-OD1 2.95Å; R59-D61 IonicContact NE-OD2 2.75Å; R59-D61 IonicContact NH2-OD1 3.91Å; R59-D61 PolarHBondContact NH2-OD1 3.47Å; R59-D61 IonicContact NH2-OD2 3.49Å; R59-D61 PolarHBondContact NH2-OD2 2.89Å; R59-D61 PolarHBondContact O-N 3.45Å; D61-T63 PolarHBondContact O-N 3.07Å; D61-T63 VanDerWaalsContact O-N 3.16Å; D61-K319 VanDerWaalsContact OD1-CE 3.28Å; D61-K319 WeakPolarHBondContact OD1-CE 3.33Å; D61-K319 IonicContact OD1-NZ 3.02Å; D61-K319 PolarHBondContact OD1-NZ 3.23Å; D61-K319 WeakPolarHBondContact OD2-CE 3.28Å; D61-K319 IonicContact OD2-NZ 3.89Å; D61-K319 PolarHBondContact OD2-NZ 3.04Å |
| 62 | H | 89.8 | Confident | 94.8 | Very high | 52 Ų | 52 | 79.2 Ų | 79.2 | 24% | 0.241 | 40% | 0.396 | C | S | . | . | trans | -81.5 | 87.1 | 169.8 | -175.1 | 54.1 | 0 | 0 | 0 | 110 | L56 R59 E60 | L56-H62 HydrophobicContact CD1-CB 4.41Å; L56-H62 WeakPolarHBondContact CD1-ND1 3.3Å; L56-H62 WeakPolarHBondContact O-CB 3.43Å; R59-H62 HydrophobicContact CB-CB 4.23Å; R59-H62 VanDerWaalsContact O-CB 3.28Å; R59-H62 WeakPolarHBondContact O-CB 3.26Å; R59-H62 PolarHBondContact O-N 2.75Å; R59-H62 VanDerWaalsContact O-N 3.08Å; E60-H62 VanDerWaalsContact C-N 3.25Å; E60-H62 PolarHBondContact O-N 2.97Å | ||
| 63 | T | 90.5 | Very high | 94.8 | Very high | 65 Ų | 65 | 82.6 Ų | 82.6 | 40% | 0.399 | 42% | 0.417 | S | S | . | . | trans | -117 | 166 | 176.9 | 77 | 0 | 0 | 0 | 0 | 111.6 | D61 | D61-T63 PolarHBondContact O-N 3.07Å; D61-T63 VanDerWaalsContact O-N 3.16Å | ||
| 64 | H | 92.3 | Very high | 94.8 | Very high | 178 Ų | 178 | 81.5 Ų | 81.5 | 82% | 0.824 | 42% | 0.416 | S | S | * | . | trans | -102.7 | 17.2 | 173.5 | -63.3 | -64.2 | 0 | 0 | 0 | 112.9 | ||||
| 65 | E | 94.7 | Very high | 94.9 | Very high | 144 Ų | 144 | 74.3 Ų | 74.3 | 67% | 0.673 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -72.5 | 159.1 | 177.2 | -65.8 | -60 | 153.6 | 0 | 0 | 111.8 | L67 | E65-L67 PolarHBondContact O-N 3.06Š|
| 66 | Y | 96.2 | Very high | 95 | Very high | 202 Ų | 202 | 73.4 Ų | 73.4 | 79% | 0.792 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -61.8 | 129.1 | 174.4 | -66.9 | -68.5 | 0 | 0 | 0 | 111.1 | ||
| 67 | L | 96.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 77 Ų | 77 | 14% | 0.136 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 160.2 | 165.2 | -69.3 | -178 | 0 | 0 | 0 | 110.5 | E65 N72 N312 P313 N315 | E65-L67 PolarHBondContact O-N 3.06Å; L67-N72 HydrophobicContact CD1-CB 4Å; L67-N72 HydrophobicContact CD2-CB 4.13Å; L67-N312 PolarHBondContact O-ND2 3.16Å; L67-P313 HydrophobicContact CD1-CG 4.42Å; L67-N315 HydrophobicContact CD1-CB 3.84Å; L67-N315 HydrophobicContact CD2-CB 4.35Å; L67-N315 HydrophobicContact CG-CB 4.08Å |
| 68 | P | 97.8 | Very high | 95.4 | Very high | 74 Ų | 74 | 74 Ų | 74 | 48% | 0.481 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -51.8 | 153 | 163 | -24.4 | 34.6 | 0 | 0 | 0 | 111.5 | L70 G71 | P68-L70 VanDerWaalsContact C-N 3.27Å; P68-L70 PolarHBondContact O-N 3.1Å; P68-G71 VanDerWaalsContact O-CA 3.29Å; P68-G71 WeakPolarHBondContact O-CA 3.25Å; P68-G71 PolarHBondContact O-N 3.41Å |
| 69 | I | 98.2 | Very high | 95.7 | Very high | 46 Ų | 46 | 69.5 Ų | 69.5 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -44.3 | -177.3 | -68.6 | 172.1 | 0 | 0 | 0 | 111.1 | G71 T303 V306 R307 N312 P313 | I69-G71 PolarHBondContact O-N 2.86Å; I69-T303 HydrophobicContact CB-CG2 4.13Å; I69-T303 HydrophobicContact CD1-CG2 3.73Å; I69-T303 HydrophobicContact CG2-CG2 3.76Å; I69-V306 HydrophobicContact CG2-CB 3.97Å; I69-V306 HydrophobicContact CG2-CG1 3.67Å; I69-V306 VanDerWaalsContact O-CG1 3.3Å; I69-V306 WeakPolarHBondContact O-CG1 3.41Å; I69-R307 HydrophobicContact CD1-CB 4.5Å; I69-R307 HydrophobicContact CG2-CB 4.47Å; I69-N312 WeakPolarHBondContact CA-ND2 3.34Å; I69-N312 WeakPolarHBondContact CG1-ND2 3.41Å; I69-N312 PolarHBondContact N-ND2 3.2Å; I69-P313 WeakPolarHBondContact O-CD 3.38Å |
| 70 | L | 98.3 | Very high | 96 | Very high | 23 Ų | 23 | 65.4 Ų | 65.4 | 12% | 0.12 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -12.2 | 177.6 | -59.3 | -177.4 | 0 | 0 | 0 | 113.6 | P68 R76 V98 Q99 N299 L302 T303 | P68-L70 VanDerWaalsContact C-N 3.27Å; P68-L70 PolarHBondContact O-N 3.1Å; L70-R76 WeakPolarHBondContact O-CD 3.47Å; L70-V98 HydrophobicContact CD2-CG1 4.08Å; L70-V98 HydrophobicContact CD2-CG2 3.88Å; L70-Q99 PolarHBondContact O-N 2.88Å; L70-N299 HydrophobicContact CD1-CB 4.14Å; L70-L302 HydrophobicContact CD2-CB 4.29Å; L70-T303 WeakPolarHBondContact CD2-OG1 3.17Å |
| 71 | G | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.293 | C | S | . | . | trans | 103.8 | -170.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P68 I69 P313 | P68-G71 VanDerWaalsContact O-CA 3.29Å; P68-G71 WeakPolarHBondContact O-CA 3.25Å; P68-G71 PolarHBondContact O-N 3.41Å; I69-G71 PolarHBondContact O-N 2.86Å; G71-P313 VanDerWaalsContact CA-CG 3.47Å | ||
| 72 | N | 97.4 | Very high | 96.8 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.048 | 28% | 0.28 | C | S | . | . | trans | -65.3 | 119.1 | -177.3 | 174.4 | -30.1 | 0 | 0 | 0 | 110.2 | L67 T74 F75 R76 E322 | L67-N72 HydrophobicContact CD1-CB 4Å; L67-N72 HydrophobicContact CD2-CB 4.13Å; N72-T74 PolarHBondContact O-N 2.69Å; N72-T74 PolarHBondContact OD1-N 2.79Å; N72-F75 HydrophobicContact CB-CB 3.93Å; N72-F75 PolarHBondContact O-N 2.87Å; N72-F75 PolarHBondContact OD1-N 2.95Å; N72-R76 WeakPolarHBondContact O-CG 3.47Å; N72-R76 PolarHBondContact O-N 2.83Å; N72-R76 PolarHBondContact O-NE 3.02Å; N72-E322 PolarHBondContact ND2-OE2 3.43Å; N72-E322 PolarHBondContact OD1-OE2 3.21Å | ||
| 73 | P | 97.3 | Very high | 97.2 | Very high | 70 Ų | 70 | 55.1 Ų | 55.1 | 46% | 0.455 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | -175.4 | 24.2 | -32.8 | 0 | 0 | 0 | 113.3 | R76 E77 | P73-R76 PolarHBondContact O-N 2.9Å; P73-E77 PolarHBondContact O-N 2.92Å |
| 74 | T | 97.6 | Very high | 97.6 | Very high | 55 Ų | 55 | 52 Ų | 52 | 34% | 0.337 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.6 | -43.7 | -179 | -46.5 | 0 | 0 | 0 | 0 | 111.1 | N72 R76 E77 H78 E322 | N72-T74 PolarHBondContact O-N 2.69Å; N72-T74 PolarHBondContact OD1-N 2.79Å; T74-R76 PolarHBondContact O-N 2.94Å; T74-E77 PolarHBondContact O-N 2.63Å; T74-H78 PolarHBondContact O-CD2 3.1Å; T74-H78 VanDerWaalsContact O-CD2 3.22Å; T74-H78 PolarHBondContact O-N 3.29Å; T74-E322 HydrophobicContact CG2-CG 3.63Å |
| 75 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 173.4 | 165.8 | -102.5 | 0 | 0 | 0 | 111.8 | N72 E77 H78 A79 Q99 F271 V282 C284 S318 V321 | N72-F75 HydrophobicContact CB-CB 3.93Å; N72-F75 PolarHBondContact O-N 2.87Å; N72-F75 PolarHBondContact OD1-N 2.95Å; F75-E77 PolarHBondContact O-N 3.01Å; F75-H78 PolarHBondContact O-N 3.25Å; F75-A79 HydrophobicContact CZ-CB 4.32Å; F75-A79 WeakPolarHBondContact O-CB 3.25Å; F75-A79 PolarHBondContact O-N 2.81Å; F75-Q99 HydrophobicContact CD1-CB 4.02Å; F75-Q99 HydrophobicContact CD1-CG 3.9Å; F75-Q99 HydrophobicContact CE1-CB 3.9Å; F75-Q99 HydrophobicContact CE1-CG 3.64Å; F75-F271 HydrophobicContact CE2-CD2 4.26Å; F75-F271 AromaticContact CE2-CE2 3.94Å; F75-F271 HydrophobicContact CE2-CE2 3.94Å; F75-F271 HydrophobicContact CE2-CZ 4.18Å; F75-F271 HydrophobicContact CZ-CD2 4.08Å; F75-F271 AromaticContact CZ-CE2 3.73Å; F75-F271 HydrophobicContact CZ-CE2 3.73Å; F75-F271 HydrophobicContact CZ-CZ 4.36Å; F75-V282 HydrophobicContact CE2-CG1 3.62Å; F75-V282 HydrophobicContact CZ-CG1 3.58Å; F75-C284 HydrophobicContact CE1-CB 4.32Å; F75-C284 HydrophobicContact CZ-CB 4.44Å; F75-S318 WeakPolarHBondContact CD2-O 3.48Å; F75-V321 HydrophobicContact CD2-CB 4.01Å; F75-V321 HydrophobicContact CD2-CG1 3.94Å; F75-V321 HydrophobicContact CE2-CB 3.94Å; F75-V321 HydrophobicContact CE2-CG1 3.75Å; F75-V321 HydrophobicContact CE2-CG2 4.46Å |
| 76 | R | 98.5 | Very high | 97.7 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 19% | 0.192 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | -179.1 | -71.7 | 174.9 | -42.9 | 138.3 | -6.6 | 111.9 | L70 N72 P73 T74 A79 A80 T97 Q99 | L70-R76 WeakPolarHBondContact O-CD 3.47Å; N72-R76 WeakPolarHBondContact O-CG 3.47Å; N72-R76 PolarHBondContact O-N 2.83Å; N72-R76 PolarHBondContact O-NE 3.02Å; P73-R76 PolarHBondContact O-N 2.9Å; T74-R76 PolarHBondContact O-N 2.94Å; R76-A79 PolarHBondContact O-N 3.25Å; R76-A80 WeakPolarHBondContact O-CB 3.38Å; R76-A80 PolarHBondContact O-N 3.3Å; R76-T97 HydrophobicContact CB-CG2 3.89Å; R76-T97 WeakPolarHBondContact CD-O 3.33Å; R76-T97 HydrophobicContact CG-CG2 4.31Å; R76-T97 PolarHBondContact NH1-O 3.05Å; R76-Q99 HydrophobicContact CG-CB 4.25Å |
| 77 | E | 98.5 | Very high | 97.6 | Very high | 80 Ų | 80 | 37.5 Ų | 37.5 | 37% | 0.374 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.2 | -48.5 | 174.9 | 173.5 | 166.5 | -168.6 | 0 | 0 | 111.3 | P73 T74 F75 A79 A80 R81 Y88 | P73-E77 PolarHBondContact O-N 2.92Å; T74-E77 PolarHBondContact O-N 2.63Å; F75-E77 PolarHBondContact O-N 3.01Å; E77-A79 VanDerWaalsContact C-N 3.35Å; E77-A79 PolarHBondContact O-N 3.37Å; E77-A80 PolarHBondContact O-N 3.34Å; E77-R81 HydrophobicContact CG-CG 4.43Å; E77-R81 WeakPolarHBondContact O-CB 3.31Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.1Å; E77-R81 PolarHBondContact O-N 2.91Å; E77-R81 IonicContact OE1-CZ 3.88Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 3.35Å; E77-R81 PolarHBondContact OE1-NE 2.76Å; E77-R81 IonicContact OE1-NH2 2.69Å; E77-R81 PolarHBondContact OE1-NH2 3.44Å; E77-Y88 HydrophobicContact CG-CE1 4.35Å |
| 78 | H | 98.6 | Very high | 97.7 | Very high | 37 Ų | 37 | 37.3 Ų | 37.3 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.2 | -79.2 | -61.9 | 0 | 0 | 0 | 113.1 | T74 F75 R81 V82 L325 S326 | T74-H78 PolarHBondContact O-CD2 3.1Å; T74-H78 VanDerWaalsContact O-CD2 3.22Å; T74-H78 PolarHBondContact O-N 3.29Å; F75-H78 PolarHBondContact O-N 3.25Å; H78-R81 PolarHBondContact O-N 2.75Å; H78-V82 WeakPolarHBondContact O-CG2 3.44Å; H78-V82 PolarHBondContact O-N 3.32Å; H78-L325 HydrophobicContact CB-CB 3.84Å; H78-L325 HydrophobicContact CB-CD1 3.8Å; H78-L325 HydrophobicContact CB-CG 4.49Å; H78-L325 PolarHBondContact CE1-O 2.69Å; H78-L325 VanDerWaalsContact CE1-O 3.26Å; H78-L325 PolarHBondContact ND1-O 2.99Å; H78-S326 PolarHBondContact CD2-OG 3.45Å; H78-S326 PolarHBondContact NE2-OG 2.89Å |
| 79 | A | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -47 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | F75 R76 E77 V82 L83 Q269 F271 C284 | F75-A79 HydrophobicContact CZ-CB 4.32Å; F75-A79 WeakPolarHBondContact O-CB 3.25Å; F75-A79 PolarHBondContact O-N 2.81Å; R76-A79 PolarHBondContact O-N 3.25Å; E77-A79 VanDerWaalsContact C-N 3.35Å; E77-A79 PolarHBondContact O-N 3.37Å; A79-V82 PolarHBondContact O-N 3.24Å; A79-L83 WeakPolarHBondContact O-CB 3.13Å; A79-L83 PolarHBondContact O-N 2.9Å; A79-L83 VanDerWaalsContact O-N 3.09Å; A79-Q269 PolarHBondContact O-NE2 2.89Å; A79-Q269 PolarHBondContact O-OE1 3.14Å; A79-F271 HydrophobicContact CB-CE2 4.08Å; A79-F271 HydrophobicContact CB-CZ 3.76Å; A79-C284 HydrophobicContact CB-CB 3.92Å |
| 80 | A | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.008 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.5 | -40.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | R76 E77 L83 F84 Y88 L95 T97 | R76-A80 WeakPolarHBondContact O-CB 3.38Å; R76-A80 PolarHBondContact O-N 3.3Å; E77-A80 PolarHBondContact O-N 3.34Å; A80-L83 PolarHBondContact O-N 3.41Å; A80-F84 WeakPolarHBondContact O-CD2 3.11Å; A80-F84 PolarHBondContact O-N 2.86Å; A80-Y88 HydrophobicContact CB-CD2 3.81Å; A80-Y88 HydrophobicContact CB-CE2 3.49Å; A80-Y88 VanDerWaalsContact CB-CE2 3.49Å; A80-L95 HydrophobicContact CB-CD2 3.85Å; A80-T97 HydrophobicContact CB-CG2 4.43Å |
| 81 | R | 98.3 | Very high | 97.5 | Very high | 82 Ų | 82 | 42.8 Ų | 42.8 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 175.8 | -74.3 | 174.4 | 177.9 | -69.2 | -3.3 | 112.5 | E77 H78 L83 G85 Y88 E89 | E77-R81 HydrophobicContact CG-CG 4.43Å; E77-R81 WeakPolarHBondContact O-CB 3.31Å; E77-R81 VanDerWaalsContact O-CG 3.3Å; E77-R81 WeakPolarHBondContact O-CG 3.1Å; E77-R81 PolarHBondContact O-N 2.91Å; E77-R81 IonicContact OE1-CZ 3.88Å; E77-R81 VanDerWaalsContact OE1-CZ 3.26Å; E77-R81 IonicContact OE1-NE 3.35Å; E77-R81 PolarHBondContact OE1-NE 2.76Å; E77-R81 IonicContact OE1-NH2 2.69Å; E77-R81 PolarHBondContact OE1-NH2 3.44Å; H78-R81 PolarHBondContact O-N 2.75Å; R81-L83 VanDerWaalsContact C-N 3.26Å; R81-L83 PolarHBondContact O-N 2.98Å; R81-G85 VanDerWaalsContact O-CA 3.3Å; R81-G85 WeakPolarHBondContact O-CA 3.49Å; R81-G85 PolarHBondContact O-N 2.9Å; R81-Y88 HydrophobicContact CG-CD1 3.52Å; R81-Y88 HydrophobicContact CG-CD2 4.42Å; R81-Y88 HydrophobicContact CG-CE1 3.75Å; R81-Y88 HydrophobicContact CG-CG 3.87Å; R81-Y88 VanDerWaalsContact CZ-CE1 3.49Å; R81-E89 IonicContact CZ-OE1 2.8Å; R81-E89 IonicContact NH1-OE1 2.75Å; R81-E89 PolarHBondContact NH1-OE1 3.25Å; R81-E89 IonicContact NH2-OE1 3.34Å; R81-E89 PolarHBondContact NH2-OE1 2.94Å |
| 82 | V | 98.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.8 | -43.7 | 173.6 | 166.9 | 0 | 0 | 0 | 0 | 109.9 | H78 A79 Q241 L248 R256 L325 W334 | H78-V82 WeakPolarHBondContact O-CG2 3.44Å; H78-V82 PolarHBondContact O-N 3.32Å; A79-V82 PolarHBondContact O-N 3.24Å; V82-Q241 PolarHBondContact O-NE2 3Å; V82-L248 HydrophobicContact CG1-CD1 4.31Å; V82-L248 HydrophobicContact CG1-CD2 4.06Å; V82-R256 PolarHBondContact O-NH2 2.8Å; V82-L325 HydrophobicContact CG2-CD1 3.73Å; V82-L325 HydrophobicContact CG2-CD2 4.03Å; V82-W334 HydrophobicContact CG1-CH2 4.24Å; V82-W334 HydrophobicContact CG2-CH2 4.41Å; V82-W334 HydrophobicContact CG2-CZ3 4.43Å |
| 83 | L | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.3 | -48.8 | -176 | -165.2 | 130.6 | 0 | 0 | 0 | 113.1 | A79 A80 R81 I238 A252 R256 I267 Q269 | A79-L83 WeakPolarHBondContact O-CB 3.13Å; A79-L83 PolarHBondContact O-N 2.9Å; A79-L83 VanDerWaalsContact O-N 3.09Å; A80-L83 PolarHBondContact O-N 3.41Å; R81-L83 VanDerWaalsContact C-N 3.26Å; R81-L83 PolarHBondContact O-N 2.98Å; L83-I238 HydrophobicContact CD1-CG2 3.83Å; L83-A252 WeakPolarHBondContact O-CB 3.43Å; L83-R256 PolarHBondContact O-NE 3.16Å; L83-I267 HydrophobicContact CD1-CB 4.42Å; L83-I267 HydrophobicContact CD1-CD1 3.73Å; L83-I267 HydrophobicContact CD1-CG1 3.8Å; L83-I267 HydrophobicContact CD1-CG2 3.77Å; L83-I267 HydrophobicContact CD2-CD1 4.04Å; L83-I267 HydrophobicContact CD2-CG2 3.66Å; L83-I267 HydrophobicContact CG-CD1 4.14Å; L83-I267 HydrophobicContact CG-CG2 4.35Å; L83-Q269 HydrophobicContact CD1-CB 4.03Å; L83-Q269 HydrophobicContact CD1-CG 4.26Å |
| 84 | F | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -98.5 | -12 | -172 | -67.9 | -75.7 | 0 | 0 | 0 | 114.8 | A80 E86 S87 I91 L95 C259 F265 I267 | A80-F84 WeakPolarHBondContact O-CD2 3.11Å; A80-F84 PolarHBondContact O-N 2.86Å; F84-E86 PolarHBondContact O-N 3.46Å; F84-S87 WeakPolarHBondContact O-CB 3.28Å; F84-S87 PolarHBondContact O-N 2.85Å; F84-S87 VanDerWaalsContact O-N 3.15Å; F84-I91 HydrophobicContact CB-CD1 4.12Å; F84-I91 HydrophobicContact CD1-CD1 3.39Å; F84-I91 HydrophobicContact CD2-CD1 3.87Å; F84-I91 HydrophobicContact CE1-CD1 3.59Å; F84-I91 HydrophobicContact CE2-CD1 4.07Å; F84-I91 HydrophobicContact CG-CD1 3.53Å; F84-I91 HydrophobicContact CZ-CD1 3.95Å; F84-L95 HydrophobicContact CD2-CD2 3.8Å; F84-L95 HydrophobicContact CE2-CD1 3.56Å; F84-L95 HydrophobicContact CE2-CD2 3.5Å; F84-L95 HydrophobicContact CE2-CG 4.18Å; F84-L95 HydrophobicContact CZ-CD1 3.7Å; F84-L95 HydrophobicContact CZ-CD2 4.43Å; F84-C259 HydrophobicContact CD1-CB 4.48Å; F84-C259 HydrophobicContact CE1-CB 4.29Å; F84-F265 HydrophobicContact CE1-CE2 4.26Å; F84-F265 AromaticContact CE1-CZ 3.68Å; F84-F265 HydrophobicContact CE1-CZ 3.68Å; F84-F265 HydrophobicContact CZ-CE2 4.19Å; F84-F265 HydrophobicContact CZ-CZ 4.05Å; F84-I267 HydrophobicContact CZ-CG2 4.45Å |
| 85 | G | 96.3 | Very high | 97.6 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 21% | 0.206 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | 55.7 | -134.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | R81 S87 Y88 | R81-G85 VanDerWaalsContact O-CA 3.3Å; R81-G85 WeakPolarHBondContact O-CA 3.49Å; R81-G85 PolarHBondContact O-N 2.9Å; G85-S87 PolarHBondContact O-N 2.8Å; G85-Y88 VanDerWaalsContact O-CB 3.23Å; G85-Y88 WeakPolarHBondContact O-CB 3.44Å; G85-Y88 PolarHBondContact O-N 3.29Å; G85-Y88 VanDerWaalsContact O-N 3.14Å |
| 86 | E | 93.5 | Very high | 97.6 | Very high | 178 Ų | 178 | 47.9 Ų | 47.9 | 83% | 0.832 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -62.9 | -25.9 | 179.1 | -61.6 | -175.3 | 168.6 | 0 | 0 | 113.8 | F84 Y88 | F84-E86 PolarHBondContact O-N 3.46Å; E86-Y88 PolarHBondContact O-N 3.22Å |
| 87 | S | 95 | Very high | 97.6 | Very high | 20 Ų | 20 | 46.1 Ų | 46.1 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -66.3 | -19.1 | 177.2 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | F84 G85 E89 K90 I91 N260 | F84-S87 WeakPolarHBondContact O-CB 3.28Å; F84-S87 PolarHBondContact O-N 2.85Å; F84-S87 VanDerWaalsContact O-N 3.15Å; G85-S87 PolarHBondContact O-N 2.8Å; S87-E89 VanDerWaalsContact C-N 3.33Å; S87-E89 PolarHBondContact O-N 3.1Å; S87-K90 PolarHBondContact O-N 3.43Å; S87-K90 VanDerWaalsContact O-N 3.15Å; S87-I91 PolarHBondContact O-N 2.85Å; S87-N260 PolarHBondContact OG-OD1 3.18Å |
| 88 | Y | 97.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 9% | 0.09 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.6 | -46.3 | -178.9 | 176.2 | -106.3 | 0 | 0 | 0 | 112.7 | E77 A80 R81 G85 E86 K90 I91 K92 L95 | E77-Y88 HydrophobicContact CG-CE1 4.35Å; A80-Y88 HydrophobicContact CB-CD2 3.81Å; A80-Y88 HydrophobicContact CB-CE2 3.49Å; A80-Y88 VanDerWaalsContact CB-CE2 3.49Å; R81-Y88 HydrophobicContact CG-CD1 3.52Å; R81-Y88 HydrophobicContact CG-CD2 4.42Å; R81-Y88 HydrophobicContact CG-CE1 3.75Å; R81-Y88 HydrophobicContact CG-CG 3.87Å; R81-Y88 VanDerWaalsContact CZ-CE1 3.49Å; G85-Y88 VanDerWaalsContact O-CB 3.23Å; G85-Y88 WeakPolarHBondContact O-CB 3.44Å; G85-Y88 PolarHBondContact O-N 3.29Å; G85-Y88 VanDerWaalsContact O-N 3.14Å; E86-Y88 PolarHBondContact O-N 3.22Å; Y88-K90 PolarHBondContact O-N 3.06Å; Y88-K90 VanDerWaalsContact O-N 3.13Å; Y88-I91 PolarHBondContact O-N 2.72Å; Y88-K92 HydrophobicContact CD2-CB 4.4Å; Y88-K92 HydrophobicContact CE1-CB 4.05Å; Y88-K92 HydrophobicContact CE1-CD 4.27Å; Y88-K92 HydrophobicContact CE2-CB 3.92Å; Y88-K92 WeakPolarHBondContact O-CB 3.32Å; Y88-K92 PolarHBondContact O-N 2.9Å; Y88-L95 HydrophobicContact CD2-CD2 4.22Å; Y88-L95 HydrophobicContact CE2-CD2 4.13Å |
| 89 | E | 97.1 | Very high | 97.6 | Very high | 84 Ų | 84 | 40.7 Ų | 40.7 | 39% | 0.393 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.5 | -28.5 | -176 | -67 | -57.6 | 149.4 | 0 | 0 | 112.9 | R81 S87 K92 | R81-E89 IonicContact CZ-OE1 2.8Å; R81-E89 IonicContact NH1-OE1 2.75Å; R81-E89 PolarHBondContact NH1-OE1 3.25Å; R81-E89 IonicContact NH2-OE1 3.34Å; R81-E89 PolarHBondContact NH2-OE1 2.94Å; S87-E89 VanDerWaalsContact C-N 3.33Å; S87-E89 PolarHBondContact O-N 3.1Å; E89-K92 WeakPolarHBondContact OE2-CE 3.48Å; E89-K92 IonicContact OE2-NZ 3.19Å; E89-K92 PolarHBondContact OE2-NZ 3.26Å |
| 90 | K | 96 | Very high | 97.6 | Very high | 167 Ų | 167 | 40.8 Ų | 40.8 | 73% | 0.726 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -82.6 | -16.8 | -179.5 | -60.4 | 178.7 | -177 | 173.3 | 0 | 113.4 | S87 Y88 | S87-K90 PolarHBondContact O-N 3.43Å; S87-K90 VanDerWaalsContact O-N 3.15Å; Y88-K90 PolarHBondContact O-N 3.06Å; Y88-K90 VanDerWaalsContact O-N 3.13Å |
| 91 | I | 97.3 | Very high | 97.6 | Very high | 7 Ų | 7 | 43.5 Ų | 43.5 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -122.9 | -8.5 | -172.5 | 69.9 | 176.2 | 0 | 0 | 0 | 113.7 | F84 S87 Y88 N93 K94 L95 L288 | F84-I91 HydrophobicContact CB-CD1 4.12Å; F84-I91 HydrophobicContact CD1-CD1 3.39Å; F84-I91 HydrophobicContact CD2-CD1 3.87Å; F84-I91 HydrophobicContact CE1-CD1 3.59Å; F84-I91 HydrophobicContact CE2-CD1 4.07Å; F84-I91 HydrophobicContact CG-CD1 3.53Å; F84-I91 HydrophobicContact CZ-CD1 3.95Å; S87-I91 PolarHBondContact O-N 2.85Å; Y88-I91 PolarHBondContact O-N 2.72Å; I91-N93 PolarHBondContact O-N 2.77Å; I91-N93 VanDerWaalsContact O-N 3.08Å; I91-K94 HydrophobicContact CB-CG 4.24Å; I91-K94 CarbonylContact O-C 3.46Å; I91-K94 WeakPolarHBondContact O-CA 3.37Å; I91-K94 VanDerWaalsContact O-CG 3.24Å; I91-K94 WeakPolarHBondContact O-CG 3.5Å; I91-K94 PolarHBondContact O-N 2.85Å; I91-L95 HydrophobicContact CD1-CD1 4.48Å; I91-L95 HydrophobicContact CD1-CD2 4.49Å; I91-L95 WeakPolarHBondContact O-CB 3.1Å; I91-L95 PolarHBondContact O-N 2.84Å; I91-L95 VanDerWaalsContact O-N 3.16Å; I91-L288 HydrophobicContact CB-CD1 3.95Å; I91-L288 HydrophobicContact CD1-CD1 4.15Å; I91-L288 HydrophobicContact CG2-CD1 4.33Å |
| 92 | K | 97.7 | Very high | 97.6 | Very high | 104 Ų | 104 | 39.6 Ų | 39.6 | 45% | 0.452 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | -55.3 | -30.6 | -174.1 | 64.8 | -177.6 | 179.8 | -172.7 | 0 | 113.8 | Y88 E89 K94 | Y88-K92 HydrophobicContact CD2-CB 4.4Å; Y88-K92 HydrophobicContact CE1-CB 4.05Å; Y88-K92 HydrophobicContact CE1-CD 4.27Å; Y88-K92 HydrophobicContact CE2-CB 3.92Å; Y88-K92 WeakPolarHBondContact O-CB 3.32Å; Y88-K92 PolarHBondContact O-N 2.9Å; E89-K92 WeakPolarHBondContact OE2-CE 3.48Å; E89-K92 IonicContact OE2-NZ 3.19Å; E89-K92 PolarHBondContact OE2-NZ 3.26Å; K92-K94 VanDerWaalsContact C-N 3.29Å; K92-K94 PolarHBondContact O-N 3.43Å |
| 93 | N | 98 | Very high | 97.6 | Very high | 72 Ų | 72 | 39.3 Ų | 39.3 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -78.2 | -9.2 | 177.3 | 68.8 | -35.7 | 0 | 0 | 0 | 114 | I91 E292 I295 | I91-N93 PolarHBondContact O-N 2.77Å; I91-N93 VanDerWaalsContact O-N 3.08Å; N93-E292 HydrophobicContact CB-CG 4.39Å; N93-E292 PolarHBondContact ND2-OE2 3.41Å; N93-E292 WeakPolarHBondContact O-CA 3.48Å; N93-E292 VanDerWaalsContact O-CB 3.3Å; N93-E292 WeakPolarHBondContact O-CB 3.44Å; N93-E292 VanDerWaalsContact O-CG 3.26Å; N93-E292 WeakPolarHBondContact O-CG 2.87Å; N93-I295 WeakPolarHBondContact O-CG1 3.23Å |
| 94 | K | 98 | Very high | 97.6 | Very high | 49 Ų | 49 | 41.2 Ų | 41.2 | 21% | 0.213 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -125.8 | 22.3 | 176.2 | 62.6 | -179.7 | -169.3 | 164.1 | 0 | 112.3 | I91 K92 L288 L289 I295 | I91-K94 HydrophobicContact CB-CG 4.24Å; I91-K94 CarbonylContact O-C 3.46Å; I91-K94 WeakPolarHBondContact O-CA 3.37Å; I91-K94 VanDerWaalsContact O-CG 3.24Å; I91-K94 WeakPolarHBondContact O-CG 3.5Å; I91-K94 PolarHBondContact O-N 2.85Å; K92-K94 VanDerWaalsContact C-N 3.29Å; K92-K94 PolarHBondContact O-N 3.43Å; K94-L288 HydrophobicContact CD-CD1 4.43Å; K94-L288 HydrophobicContact CG-CD1 4.05Å; K94-L289 WeakPolarHBondContact CD-O 3.38Å; K94-L289 WeakPolarHBondContact O-CB 3.39Å; K94-L289 PolarHBondContact O-N 2.77Å; K94-I295 VanDerWaalsContact C-CD1 3.47Å |
| 95 | L | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 41.7 Ų | 41.7 | 7% | 0.073 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 108 | -179.5 | -170.9 | 74.6 | 0 | 0 | 0 | 111 | A80 F84 Y88 I91 L288 | A80-L95 HydrophobicContact CB-CD2 3.85Å; F84-L95 HydrophobicContact CD2-CD2 3.8Å; F84-L95 HydrophobicContact CE2-CD1 3.56Å; F84-L95 HydrophobicContact CE2-CD2 3.5Å; F84-L95 HydrophobicContact CE2-CG 4.18Å; F84-L95 HydrophobicContact CZ-CD1 3.7Å; F84-L95 HydrophobicContact CZ-CD2 4.43Å; Y88-L95 HydrophobicContact CD2-CD2 4.22Å; Y88-L95 HydrophobicContact CE2-CD2 4.13Å; I91-L95 HydrophobicContact CD1-CD1 4.48Å; I91-L95 HydrophobicContact CD1-CD2 4.49Å; I91-L95 WeakPolarHBondContact O-CB 3.1Å; I91-L95 PolarHBondContact O-N 2.84Å; I91-L95 VanDerWaalsContact O-N 3.16Å; L95-L288 HydrophobicContact CD1-CB 4Å; L95-L288 HydrophobicContact CD1-CD1 4.18Å |
| 96 | A | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | S286 V287 I295 T298 L302 | A96-S286 CarbonylContact O-C 3.58Å; A96-S286 VanDerWaalsContact O-CA 3.27Å; A96-S286 WeakPolarHBondContact O-CA 3.37Å; A96-V287 HydrophobicContact CB-CB 4.37Å; A96-V287 PolarHBondContact N-O 3.18Å; A96-V287 PolarHBondContact O-N 3.12Å; A96-I295 HydrophobicContact CB-CD1 4.19Å; A96-T298 HydrophobicContact CB-CG2 3.6Å; A96-L302 HydrophobicContact CB-CD1 4.05Å |
| 97 | T | 98.7 | Very high | 97.9 | Very high | 15 Ų | 15 | 32.3 Ų | 32.3 | 9% | 0.092 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 131.9 | -177.9 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | R76 A80 C284 L285 S286 | R76-T97 HydrophobicContact CB-CG2 3.89Å; R76-T97 WeakPolarHBondContact CD-O 3.33Å; R76-T97 HydrophobicContact CG-CG2 4.31Å; R76-T97 PolarHBondContact NH1-O 3.05Å; A80-T97 HydrophobicContact CB-CG2 4.43Å; T97-C284 WeakPolarHBondContact CG2-SG 3.48Å; T97-L285 CarbonylContact C-O 3.22Å; T97-L285 WeakPolarHBondContact CA-O 3.44Å; T97-S286 WeakPolarHBondContact CG2-OG 3.29Å; T97-S286 PolarHBondContact OG1-OG 3.49Å; T97-S286 VanDerWaalsContact OG1-OG 3.1Å |
| 98 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.6 | -169.3 | -174.3 | 0 | 0 | 0 | 0 | 109.8 | L70 C284 L285 L302 V306 | L70-V98 HydrophobicContact CD2-CG1 4.08Å; L70-V98 HydrophobicContact CD2-CG2 3.88Å; V98-C284 CarbonylContact O-C 3.39Å; V98-C284 WeakPolarHBondContact O-CA 3.24Å; V98-C284 PolarHBondContact O-SG 3.26Å; V98-L285 PolarHBondContact N-O 2.86Å; V98-L285 PolarHBondContact O-N 3.21Å; V98-L302 HydrophobicContact CG2-CB 4.07Å; V98-L302 HydrophobicContact CG2-CD1 3.67Å; V98-L302 HydrophobicContact CG2-CG 4.34Å; V98-V306 HydrophobicContact CG1-CG2 3.72Å |
| 99 | Q | 98.8 | Very high | 98.2 | Very high | 3 Ų | 3 | 32.9 Ų | 32.9 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 136.5 | 172.1 | 176.8 | 178.1 | -14.4 | 0 | 0 | 109.7 | L70 F75 R76 Y310 P313 P314 S318 | L70-Q99 PolarHBondContact O-N 2.88Å; F75-Q99 HydrophobicContact CD1-CB 4.02Å; F75-Q99 HydrophobicContact CD1-CG 3.9Å; F75-Q99 HydrophobicContact CE1-CB 3.9Å; F75-Q99 HydrophobicContact CE1-CG 3.64Å; R76-Q99 HydrophobicContact CG-CB 4.25Å; Q99-Y310 PolarHBondContact O-OH 3.27Å; Q99-P313 HydrophobicContact CB-CB 4.37Å; Q99-P313 HydrophobicContact CB-CG 3.98Å; Q99-P313 HydrophobicContact CG-CB 3.78Å; Q99-P313 HydrophobicContact CG-CG 3.83Å; Q99-P314 PolarHBondContact NE2-O 3.4Å; Q99-S318 VanDerWaalsContact NE2-CB 3.25Å; Q99-S318 PolarHBondContact NE2-OG 2.78Å |
| 100 | C | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.007 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 169.6 | -175.5 | -63.3 | 0 | 0 | 0 | 0 | 112 | G102 A106 G283 | C100-G102 VanDerWaalsContact C-N 3.27Å; C100-G102 PolarHBondContact O-N 2.96Å; C100-A106 HydrophobicContact CB-CB 3.99Å; C100-G283 PolarHBondContact N-O 2.92Å; C100-G283 PolarHBondContact O-N 3.06Å |
| 101 | L | 98 | Very high | 98.3 | Very high | 59 Ų | 59 | 20.9 Ų | 20.9 | 31% | 0.309 | 11% | 0.106 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 71.9 | 179.2 | -53.1 | -173.9 | 0 | 0 | 0 | 112.2 | G105 R281 Y310 P314 | L101-G105 PolarHBondContact O-N 2.88Å; L101-G105 VanDerWaalsContact O-N 3.08Å; L101-R281 CarbonylContact C-O 3.41Å; L101-Y310 HydrophobicContact CD1-CD1 3.58Å; L101-Y310 HydrophobicContact CD1-CD2 4.46Å; L101-Y310 HydrophobicContact CD1-CE1 4.22Å; L101-Y310 HydrophobicContact CD1-CG 3.75Å; L101-Y310 HydrophobicContact CD2-CD2 4.28Å; L101-Y310 HydrophobicContact CD2-CE2 4.45Å; L101-Y310 HydrophobicContact CD2-CG 4.37Å; L101-Y310 HydrophobicContact CG-CD1 3.81Å; L101-Y310 HydrophobicContact CG-CD2 4.28Å; L101-Y310 HydrophobicContact CG-CE1 3.97Å; L101-Y310 HydrophobicContact CG-CE2 4.37Å; L101-Y310 HydrophobicContact CG-CG 4Å; L101-P314 HydrophobicContact CD2-CG 3.97Å |
| 102 | G | 98.1 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | 71 | -176.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C100 T104 G105 A106 R281 | C100-G102 VanDerWaalsContact C-N 3.27Å; C100-G102 PolarHBondContact O-N 2.96Å; G102-T104 PolarHBondContact O-N 2.79Å; G102-G105 PolarHBondContact O-N 3.01Å; G102-G105 VanDerWaalsContact O-N 3.1Å; G102-A106 PolarHBondContact O-N 3.27Å; G102-R281 VanDerWaalsContact N-C 3.34Å; G102-R281 PolarHBondContact N-O 3.33Å |
| 103 | G | 98 | Very high | 98.4 | Very high | 7 Ų | 7 | 18 Ų | 18 | 7% | 0.072 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57 | -33.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A106 L107 | G103-A106 PolarHBondContact O-N 3.43Å; G103-L107 WeakPolarHBondContact O-CB 3.32Å; G103-L107 WeakPolarHBondContact O-CG 3.46Å; G103-L107 PolarHBondContact O-N 2.89Å |
| 104 | T | 98 | Very high | 98.3 | Very high | 41 Ų | 41 | 14.6 Ų | 14.6 | 25% | 0.252 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -63.2 | -44.6 | 175.3 | -45.4 | 0 | 0 | 0 | 0 | 112.2 | G102 L107 R108 W130 I136 | G102-T104 PolarHBondContact O-N 2.79Å; T104-L107 PolarHBondContact O-N 3.41Å; T104-R108 WeakPolarHBondContact O-CB 3.17Å; T104-R108 PolarHBondContact O-N 3Å; T104-W130 HydrophobicContact CG2-CH2 4.39Å; T104-W130 WeakPolarHBondContact OG1-CH2 3.17Å; T104-I136 HydrophobicContact CG2-CD1 4.07Å |
| 105 | G | 98.4 | Very high | 98.1 | Very high | 10 Ų | 10 | 14.2 Ų | 14.2 | 10% | 0.103 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L101 G102 R108 V109 | L101-G105 PolarHBondContact O-N 2.88Å; L101-G105 VanDerWaalsContact O-N 3.08Å; G102-G105 PolarHBondContact O-N 3.01Å; G102-G105 VanDerWaalsContact O-N 3.1Å; G105-R108 PolarHBondContact O-N 3.5Å; G105-V109 WeakPolarHBondContact O-CB 3.3Å; G105-V109 WeakPolarHBondContact O-CG2 3.36Å; G105-V109 PolarHBondContact O-N 2.97Å |
| 106 | A | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.8 | -43.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | C100 G102 G103 G110 A268 C284 L285 | C100-A106 HydrophobicContact CB-CB 3.99Å; G102-A106 PolarHBondContact O-N 3.27Å; G103-A106 PolarHBondContact O-N 3.43Å; A106-G110 PolarHBondContact O-N 3.26Å; A106-A268 HydrophobicContact CB-CB 3.63Å; A106-C284 WeakPolarHBondContact CB-O 3.39Å; A106-L285 HydrophobicContact CB-CB 4.18Å |
| 107 | L | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -47.2 | 172 | -77.2 | 161.4 | 0 | 0 | 0 | 111.6 | G103 T104 L111 W130 I136 F235 D237 A268 | G103-L107 WeakPolarHBondContact O-CB 3.32Å; G103-L107 WeakPolarHBondContact O-CG 3.46Å; G103-L107 PolarHBondContact O-N 2.89Å; T104-L107 PolarHBondContact O-N 3.41Å; L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.19Å; L107-W130 HydrophobicContact CD1-CE3 4.1Å; L107-W130 HydrophobicContact CD1-CZ3 3.59Å; L107-I136 HydrophobicContact CB-CD1 3.82Å; L107-I136 HydrophobicContact CD1-CD1 4.39Å; L107-F235 HydrophobicContact CD2-CD1 4.05Å; L107-F235 HydrophobicContact CD2-CE1 3.56Å; L107-F235 HydrophobicContact CD2-CZ 4.42Å; L107-F235 HydrophobicContact CG-CE1 4.48Å; L107-D237 HydrophobicContact CD2-CB 4.29Å; L107-A268 HydrophobicContact CD2-CB 4.03Å; L107-A268 HydrophobicContact CG-CB 3.78Å |
| 108 | R | 98.6 | Very high | 96.3 | Very high | 54 Ų | 54 | 23.8 Ų | 23.8 | 20% | 0.204 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.9 | -54.1 | 179.7 | 172 | 59.8 | -165.4 | -162.3 | 2.4 | 111.7 | T104 G105 G110 E112 I136 R139 | T104-R108 WeakPolarHBondContact O-CB 3.17Å; T104-R108 PolarHBondContact O-N 3Å; G105-R108 PolarHBondContact O-N 3.5Å; R108-G110 VanDerWaalsContact C-N 3.33Å; R108-G110 PolarHBondContact O-N 3.34Å; R108-E112 IonicContact CZ-OE2 3.52Å; R108-E112 IonicContact NE-OE2 2.82Å; R108-E112 PolarHBondContact NE-OE2 2.87Å; R108-E112 VanDerWaalsContact NH2-CD 3.28Å; R108-E112 IonicContact NH2-OE1 2.79Å; R108-E112 IonicContact NH2-OE2 3.16Å; R108-E112 PolarHBondContact NH2-OE2 3.05Å; R108-E112 WeakPolarHBondContact O-CB 3.24Å; R108-E112 PolarHBondContact O-N 2.92Å; R108-I136 HydrophobicContact CB-CG2 4.26Å; R108-R139 PolarHBondContact NH1-O 3.21Å |
| 109 | V | 98.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.1 | -44.1 | -178.2 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | G105 F113 L285 L302 I305 V306 Y310 | G105-V109 WeakPolarHBondContact O-CB 3.3Å; G105-V109 WeakPolarHBondContact O-CG2 3.36Å; G105-V109 PolarHBondContact O-N 2.97Å; V109-F113 WeakPolarHBondContact O-CB 3.4Å; V109-F113 PolarHBondContact O-N 3.28Å; V109-L285 HydrophobicContact CB-CD2 4.25Å; V109-L285 HydrophobicContact CG1-CD2 3.78Å; V109-L302 HydrophobicContact CG1-CD2 3.83Å; V109-I305 HydrophobicContact CB-CG2 4.41Å; V109-I305 HydrophobicContact CG1-CG2 4.07Å; V109-I305 HydrophobicContact CG2-CG2 4.35Å; V109-V306 HydrophobicContact CG1-CG2 4.08Å; V109-V306 HydrophobicContact CG2-CG2 4.27Å; V109-Y310 HydrophobicContact CG2-CE1 4.19Å |
| 110 | G | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -70.1 | -44.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A106 R108 E112 F113 V114 L285 | A106-G110 PolarHBondContact O-N 3.26Å; R108-G110 VanDerWaalsContact C-N 3.33Å; R108-G110 PolarHBondContact O-N 3.34Å; G110-E112 VanDerWaalsContact C-N 3.3Å; G110-E112 PolarHBondContact O-N 3.32Å; G110-F113 WeakPolarHBondContact O-CB 3.5Å; G110-F113 PolarHBondContact O-N 2.9Å; G110-V114 WeakPolarHBondContact O-CG2 3.24Å; G110-V114 PolarHBondContact O-N 2.69Å; G110-L285 VanDerWaalsContact CA-CD2 3.44Å |
| 111 | L | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -67.3 | -34.7 | 178.2 | -69.9 | 169.8 | 0 | 0 | 0 | 111.6 | L107 H115 I136 L137 V140 Y142 V200 V202 F235 | L107-L111 VanDerWaalsContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CB 3.41Å; L107-L111 VanDerWaalsContact O-CG 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.48Å; L107-L111 PolarHBondContact O-N 3.19Å; L111-H115 WeakPolarHBondContact O-CB 3.23Å; L111-H115 PolarHBondContact O-N 3.46Å; L111-I136 HydrophobicContact CB-CG2 4.48Å; L111-I136 HydrophobicContact CD1-CG2 3.76Å; L111-L137 HydrophobicContact CD1-CD2 3.87Å; L111-L137 HydrophobicContact CD1-CG 4.21Å; L111-L137 HydrophobicContact CD2-CD2 3.9Å; L111-L137 HydrophobicContact CG-CD2 4.31Å; L111-V140 HydrophobicContact CB-CG2 4.48Å; L111-Y142 HydrophobicContact CB-CE2 4.19Å; L111-Y142 WeakPolarHBondContact O-CE2 3.32Å; L111-Y142 PolarHBondContact O-OH 3.43Å; L111-V200 HydrophobicContact CD2-CG1 3.94Å; L111-V202 HydrophobicContact CD2-CG2 4.24Å; L111-F235 HydrophobicContact CD2-CD2 3.73Å; L111-F235 HydrophobicContact CD2-CE2 4.08Å; L111-F235 HydrophobicContact CD2-CG 4.04Å; L111-F235 HydrophobicContact CG-CD2 4.2Å; L111-F235 HydrophobicContact CG-CE2 4.04Å; L111-F235 HydrophobicContact CG-CZ 4.29Å |
| 112 | E | 98 | Very high | 94.4 | Very high | 37 Ų | 37 | 28 Ų | 28 | 17% | 0.173 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 171.5 | -173.5 | 168.1 | 180 | 0 | 0 | 111.8 | R108 G110 H115 H116 V140 I305 N309 | R108-E112 IonicContact CZ-OE2 3.52Å; R108-E112 IonicContact NE-OE2 2.82Å; R108-E112 PolarHBondContact NE-OE2 2.87Å; R108-E112 VanDerWaalsContact NH2-CD 3.28Å; R108-E112 IonicContact NH2-OE1 2.79Å; R108-E112 IonicContact NH2-OE2 3.16Å; R108-E112 PolarHBondContact NH2-OE2 3.05Å; R108-E112 WeakPolarHBondContact O-CB 3.24Å; R108-E112 PolarHBondContact O-N 2.92Å; G110-E112 VanDerWaalsContact C-N 3.3Å; G110-E112 PolarHBondContact O-N 3.32Å; E112-H115 PolarHBondContact O-N 2.85Å; E112-H116 WeakPolarHBondContact O-CB 3.27Å; E112-H116 PolarHBondContact O-N 3.35Å; E112-V140 HydrophobicContact CB-CG1 4.28Å; E112-V140 HydrophobicContact CB-CG2 4.06Å; E112-I305 HydrophobicContact CB-CG2 4.28Å; E112-I305 HydrophobicContact CG-CD1 4.28Å; E112-I305 HydrophobicContact CG-CG1 4.33Å; E112-I305 HydrophobicContact CG-CG2 4.09Å; E112-N309 PolarHBondContact OE2-ND2 2.93Å |
| 113 | F | 97.6 | Very high | 94.3 | Very high | 13 Ų | 13 | 28 Ų | 28 | 6% | 0.057 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59 | -48.4 | 174.7 | 168.6 | -103.3 | 0 | 0 | 0 | 112.1 | V109 G110 H115 H116 T117 V287 T298 H301 L302 I305 | V109-F113 WeakPolarHBondContact O-CB 3.4Å; V109-F113 PolarHBondContact O-N 3.28Å; G110-F113 WeakPolarHBondContact O-CB 3.5Å; G110-F113 PolarHBondContact O-N 2.9Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.03Å; F113-H116 PolarHBondContact O-N 2.87Å; F113-T117 HydrophobicContact CD2-CG2 4.1Å; F113-T117 HydrophobicContact CE2-CG2 3.74Å; F113-T117 HydrophobicContact CZ-CG2 4.01Å; F113-T117 VanDerWaalsContact O-CG2 3.27Å; F113-T117 WeakPolarHBondContact O-CG2 3.45Å; F113-T117 PolarHBondContact O-N 3.34Å; F113-T117 PolarHBondContact O-OG1 3.45Å; F113-V287 HydrophobicContact CD1-CG2 4.48Å; F113-V287 HydrophobicContact CE1-CG1 4Å; F113-V287 HydrophobicContact CE1-CG2 4.5Å; F113-T298 HydrophobicContact CE1-CG2 4.47Å; F113-T298 HydrophobicContact CE2-CG2 4.11Å; F113-T298 HydrophobicContact CZ-CG2 3.78Å; F113-H301 HydrophobicContact CD2-CB 3.93Å; F113-H301 HydrophobicContact CE2-CB 3.86Å; F113-L302 HydrophobicContact CB-CD2 3.89Å; F113-L302 HydrophobicContact CD2-CD2 4.01Å; F113-L302 HydrophobicContact CD2-CG 4.16Å; F113-L302 HydrophobicContact CG-CD2 3.93Å; F113-I305 VanDerWaalsContact CA-CD1 3.49Å; F113-I305 HydrophobicContact CB-CD1 3.81Å; F113-I305 HydrophobicContact CD2-CD1 4.46Å |
| 114 | V | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 178.5 | -179.3 | 0 | 0 | 0 | 0 | 111.9 | G110 T117 L119 T120 V200 Y233 | G110-V114 WeakPolarHBondContact O-CG2 3.24Å; G110-V114 PolarHBondContact O-N 2.69Å; V114-T117 PolarHBondContact O-OG1 3.21Å; V114-L119 HydrophobicContact CG1-CB 4.17Å; V114-L119 HydrophobicContact CG1-CD1 4.24Å; V114-T120 HydrophobicContact CG1-CG2 4.18Å; V114-V200 HydrophobicContact CB-CG2 4.14Å; V114-V200 HydrophobicContact CG1-CG2 3.35Å; V114-Y233 HydrophobicContact CG1-CD1 4.32Å; V114-Y233 HydrophobicContact CG2-CD1 3.96Å; V114-Y233 HydrophobicContact CG2-CE1 3.46Å; V114-Y233 VanDerWaalsContact CG2-CE1 3.46Å |
| 115 | H | 94.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 26.2 Ų | 26.2 | 19% | 0.19 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.3 | -45.9 | 176.2 | -178 | 58.2 | 0 | 0 | 0 | 112.2 | L111 E112 F113 T117 G118 N121 V140 Y142 | L111-H115 WeakPolarHBondContact O-CB 3.23Å; L111-H115 PolarHBondContact O-N 3.46Å; E112-H115 PolarHBondContact O-N 2.85Å; F113-H115 VanDerWaalsContact C-N 3.32Å; F113-H115 PolarHBondContact O-N 3.03Å; H115-T117 PolarHBondContact O-N 3.1Å; H115-G118 PolarHBondContact O-N 3.43Å; H115-N121 PolarHBondContact CE1-OD1 3.17Å; H115-N121 PolarHBondContact ND1-OD1 2.86Å; H115-V140 HydrophobicContact CB-CG1 3.57Å; H115-V140 VanDerWaalsContact CD2-CG1 3.5Å; H115-V140 WeakPolarHBondContact CD2-CG1 3.37Å; H115-V140 PolarHBondContact CD2-O 2.9Å; H115-Y142 HydrophobicContact CB-CD2 4.44Å; H115-Y142 HydrophobicContact CB-CE2 3.79Å |
| 116 | H | 91.1 | Very high | 94.2 | Very high | 116 Ų | 116 | 25.7 Ų | 25.7 | 54% | 0.537 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -70.7 | -29.4 | -174 | -174.3 | 79.8 | 0 | 0 | 0 | 113.3 | E112 F113 G118 H301 | E112-H116 WeakPolarHBondContact O-CB 3.27Å; E112-H116 PolarHBondContact O-N 3.35Å; F113-H116 PolarHBondContact O-N 2.87Å; H116-G118 PolarHBondContact O-N 3.02Å; H116-H301 AromaticContact CD2-ND1 3.86Å |
| 117 | T | 87.5 | Confident | 94.1 | Very high | 53 Ų | 53 | 29 Ų | 29 | 33% | 0.325 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -7.7 | 171.5 | 50.4 | 0 | 0 | 0 | 0 | 113 | F113 V114 H115 L119 | F113-T117 HydrophobicContact CD2-CG2 4.1Å; F113-T117 HydrophobicContact CE2-CG2 3.74Å; F113-T117 HydrophobicContact CZ-CG2 4.01Å; F113-T117 VanDerWaalsContact O-CG2 3.27Å; F113-T117 WeakPolarHBondContact O-CG2 3.45Å; F113-T117 PolarHBondContact O-N 3.34Å; F113-T117 PolarHBondContact O-OG1 3.45Å; V114-T117 PolarHBondContact O-OG1 3.21Å; H115-T117 PolarHBondContact O-N 3.1Å; T117-L119 PolarHBondContact O-N 3.08Å; T117-L119 WeakPolarHBondContact OG1-CD1 3.28Å; T117-L119 WeakPolarHBondContact OG1-CG 3.36Å |
| 118 | G | 80.6 | Confident | 94 | Very high | 62 Ų | 62 | 30.1 Ų | 30.1 | 64% | 0.639 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 74 | 11.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | H115 H116 T120 | H115-G118 PolarHBondContact O-N 3.43Å; H116-G118 PolarHBondContact O-N 3.02Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.84Å |
| 119 | L | 80.5 | Confident | 93.9 | Very high | 62 Ų | 62 | 28.8 Ų | 28.8 | 33% | 0.325 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -62.2 | -40.1 | -179.2 | -73.4 | 172.5 | 0 | 0 | 0 | 111.9 | V114 T117 | V114-L119 HydrophobicContact CG1-CB 4.17Å; V114-L119 HydrophobicContact CG1-CD1 4.24Å; T117-L119 PolarHBondContact O-N 3.08Å; T117-L119 WeakPolarHBondContact OG1-CD1 3.28Å; T117-L119 WeakPolarHBondContact OG1-CG 3.36Å |
| 120 | T | 88.4 | Confident | 93.7 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | trans | -166 | 157.5 | 177.2 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | V114 G118 T122 Y142 R198 V200 | V114-T120 HydrophobicContact CG1-CG2 4.18Å; G118-T120 VanDerWaalsContact C-N 3.32Å; G118-T120 PolarHBondContact O-N 2.84Å; T120-T122 PolarHBondContact OG1-N 2.84Å; T120-T122 VanDerWaalsContact OG1-N 3.08Å; T120-Y142 HydrophobicContact CG2-CE1 4.3Å; T120-R198 WeakPolarHBondContact CB-O 3.44Å; T120-R198 VanDerWaalsContact CG2-O 3.26Å; T120-R198 WeakPolarHBondContact CG2-O 3.5Å; T120-V200 HydrophobicContact CG2-CG2 3.7Å | ||
| 121 | N | 90.4 | Very high | 93.3 | Very high | 75 Ų | 75 | 33.9 Ų | 33.9 | 40% | 0.401 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -112.7 | 10 | 168.2 | -67.2 | -35.5 | 0 | 0 | 0 | 112.3 | H115 K143 V144 | H115-N121 PolarHBondContact CE1-OD1 3.17Å; H115-N121 PolarHBondContact ND1-OD1 2.86Å; N121-K143 HydrophobicContact CB-CB 4.33Å; N121-K143 HydrophobicContact CB-CG 4.2Å; N121-K143 PolarHBondContact O-N 3.28Å; N121-V144 PolarHBondContact O-N 3.38Å; N121-V144 VanDerWaalsContact O-N 3.17Å |
| 122 | T | 93.7 | Very high | 93.1 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129 | -174.9 | -58.7 | 0 | 0 | 0 | 0 | 110 | T120 Y124 V144 A199 V200 | T120-T122 PolarHBondContact OG1-N 2.84Å; T120-T122 VanDerWaalsContact OG1-N 3.08Å; T122-Y124 HydrophobicContact CG2-CD2 4.18Å; T122-Y124 HydrophobicContact CG2-CE2 3.63Å; T122-V144 CarbonylContact C-O 3.33Å; T122-V144 VanDerWaalsContact CA-O 3.29Å; T122-V144 WeakPolarHBondContact CA-O 3.37Å; T122-V144 HydrophobicContact CG2-CB 4.06Å; T122-V144 HydrophobicContact CG2-CG1 3.94Å; T122-A199 HydrophobicContact CG2-CB 3.99Å; T122-V200 PolarHBondContact O-N 3.04Å |
| 123 | A | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 146.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L137 Y142 V144 I145 K146 V200 | A123-L137 HydrophobicContact CB-CD1 3.69Å; A123-L137 HydrophobicContact CB-CD2 3.49Å; A123-L137 VanDerWaalsContact CB-CD2 3.49Å; A123-L137 HydrophobicContact CB-CG 4.2Å; A123-Y142 HydrophobicContact CB-CD1 3.64Å; A123-Y142 HydrophobicContact CB-CE1 3.89Å; A123-Y142 HydrophobicContact CB-CG 4.3Å; A123-V144 PolarHBondContact N-O 3.23Å; A123-I145 WeakPolarHBondContact O-CA 3.36Å; A123-K146 PolarHBondContact O-N 3.5Å; A123-V200 CarbonylContact C-O 3.51Å; A123-V200 VanDerWaalsContact CA-O 3.31Å; A123-V200 WeakPolarHBondContact CA-O 3.34Å; A123-V200 HydrophobicContact CB-CB 4.49Å |
| 124 | Y | 96.9 | Very high | 93 | Very high | 8 Ų | 8 | 35.6 Ų | 35.6 | 3% | 0.031 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.7 | 176.1 | -76.7 | -96.2 | 0 | 0 | 0 | 109 | T122 K146 L167 T170 A199 V200 V202 | T122-Y124 HydrophobicContact CG2-CD2 4.18Å; T122-Y124 HydrophobicContact CG2-CE2 3.63Å; Y124-K146 VanDerWaalsContact CA-O 3.32Å; Y124-K146 WeakPolarHBondContact CA-O 3.27Å; Y124-K146 HydrophobicContact CD1-CB 3.66Å; Y124-K146 HydrophobicContact CE1-CB 3.51Å; Y124-K146 HydrophobicContact CE1-CD 3.72Å; Y124-K146 HydrophobicContact CE1-CG 4.24Å; Y124-K146 HydrophobicContact CE2-CD 4.38Å; Y124-K146 HydrophobicContact CG-CB 4.27Å; Y124-K146 VanDerWaalsContact OH-CD 3.25Å; Y124-K146 WeakPolarHBondContact OH-CD 3.21Å; Y124-L167 HydrophobicContact CD1-CD2 4.13Å; Y124-L167 HydrophobicContact CG-CD2 4.24Å; Y124-T170 HydrophobicContact CD2-CG2 4.43Å; Y124-T170 HydrophobicContact CE1-CG2 3.77Å; Y124-T170 HydrophobicContact CE2-CG2 3.64Å; Y124-T170 WeakPolarHBondContact OH-CG2 3.19Å; Y124-A199 HydrophobicContact CD2-CB 4.07Å; Y124-A199 HydrophobicContact CE2-CB 3.95Å; Y124-V200 PolarHBondContact N-O 3.17Å; Y124-V202 PolarHBondContact O-N 3.09Å |
| 125 | I | 98.3 | Very high | 93.1 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.015 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152.6 | 176.9 | 66.5 | -174.5 | 0 | 0 | 0 | 109.7 | T129 H133 L137 I145 K146 K147 Y148 V202 | I125-T129 HydrophobicContact CB-CG2 4.19Å; I125-T129 HydrophobicContact CD1-CG2 3.91Å; I125-T129 HydrophobicContact CG1-CG2 4.1Å; I125-H133 HydrophobicContact CD1-CB 4.45Å; I125-H133 HydrophobicContact CG2-CB 4.16Å; I125-L137 HydrophobicContact CG2-CD1 3.51Å; I125-I145 HydrophobicContact CD1-CG2 3.98Å; I125-K146 PolarHBondContact N-O 2.87Å; I125-K147 HydrophobicContact CG1-CG 4.2Å; I125-K147 CarbonylContact O-C 3.59Å; I125-K147 WeakPolarHBondContact O-CA 3.4Å; I125-Y148 VanDerWaalsContact O-CD1 3.23Å; I125-Y148 WeakPolarHBondContact O-CD1 3.45Å; I125-Y148 PolarHBondContact O-N 3.45Å; I125-V202 HydrophobicContact CG2-CB 4.03Å; I125-V202 HydrophobicContact CG2-CG2 3.96Å |
| 126 | S | 98.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 155.4 | -179.6 | 23.8 | 0 | 0 | 0 | 0 | 112.6 | P128 T129 Y148 H208 | S126-P128 CarbonylContact C-O 3.57Å; S126-P128 VanDerWaalsContact C-O 3.31Å; S126-P128 WeakPolarHBondContact CB-O 3.23Å; S126-P128 CarbonylContact O-C 3.52Å; S126-P128 VanDerWaalsContact O-C 3.27Å; S126-T129 WeakPolarHBondContact O-CB 3.42Å; S126-T129 PolarHBondContact O-N 2.84Å; S126-T129 PolarHBondContact OG-OG1 3.08Å; S126-Y148 CarbonylContact C-O 3.5Å; S126-Y148 VanDerWaalsContact CA-CZ 3.48Å; S126-Y148 WeakPolarHBondContact CA-O 3.47Å; S126-Y148 WeakPolarHBondContact CB-OH 3.32Å; S126-Y148 PolarHBondContact OG-OH 3.5Å; S126-H208 WeakPolarHBondContact CB-NE2 3.36Å; S126-H208 PolarHBondContact OG-NE2 2.92Å |
| 127 | D | 97.2 | Very high | 93.6 | Very high | 69 Ų | 69 | 32.4 Ų | 32.4 | 37% | 0.369 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114.3 | 166 | -154.9 | 21.1 | 0 | 0 | 0 | 111 | K147 Y148 Y150 W151 | D127-K147 HydrophobicContact CB-CB 4.17Å; D127-K147 HydrophobicContact CB-CD 4.03Å; D127-K147 IonicContact OD1-NZ 4Å; D127-K147 PolarHBondContact OD1-NZ 3.43Å; D127-K147 IonicContact OD2-NZ 3.6Å; D127-Y148 PolarHBondContact N-O 2.81Å; D127-Y150 PolarHBondContact O-N 2.96Å; D127-W151 PolarHBondContact O-N 3.1Å |
| 128 | P | 95.7 | Very high | 94 | Very high | 25 Ų | 25 | 35.1 Ų | 35.1 | 16% | 0.162 | 21% | 0.21 | C | C | . | . | S | Bend | cis | -72.1 | 174 | -8.7 | 32.5 | -35.6 | 0 | 0 | 0 | 112.6 | S126 H208 P210 T211 F377 | S126-P128 CarbonylContact C-O 3.57Å; S126-P128 VanDerWaalsContact C-O 3.31Å; S126-P128 WeakPolarHBondContact CB-O 3.23Å; S126-P128 CarbonylContact O-C 3.52Å; S126-P128 VanDerWaalsContact O-C 3.27Å; P128-H208 PolarHBondContact O-CE1 2.74Å; P128-P210 HydrophobicContact CB-CG 3.83Å; P128-P210 HydrophobicContact CG-CG 3.59Å; P128-T211 HydrophobicContact CG-CG2 4.03Å; P128-F377 HydrophobicContact CG-CZ 4.46Å |
| 129 | T | 96.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 40.9 Ų | 40.9 | 15% | 0.153 | 21% | 0.213 | C | C | . | . | trans | -147.2 | 178.3 | 172.4 | -159 | 0 | 0 | 0 | 0 | 111.6 | I125 S126 G131 H133 H204 N209 | I125-T129 HydrophobicContact CB-CG2 4.19Å; I125-T129 HydrophobicContact CD1-CG2 3.91Å; I125-T129 HydrophobicContact CG1-CG2 4.1Å; S126-T129 WeakPolarHBondContact O-CB 3.42Å; S126-T129 PolarHBondContact O-N 2.84Å; S126-T129 PolarHBondContact OG-OG1 3.08Å; T129-G131 PolarHBondContact O-N 3.39Å; T129-H133 HydrophobicContact CG2-CB 4.19Å; T129-H133 PolarHBondContact OG1-ND1 3.24Å; T129-H204 PolarHBondContact OG1-NE2 2.89Å; T129-N209 CarbonylContact C-O 3.53Å; T129-N209 VanDerWaalsContact C-O 3.22Å; T129-N209 WeakPolarHBondContact CA-O 3.35Å | ||
| 130 | W | 94 | Very high | 95.6 | Very high | 60 Ų | 60 | 38.8 Ų | 38.8 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | trans | -68.8 | 123.8 | 172.9 | -177.6 | 49.2 | 0 | 0 | 0 | 110.5 | T104 L107 N132 H133 N209 | T104-W130 HydrophobicContact CG2-CH2 4.39Å; T104-W130 WeakPolarHBondContact OG1-CH2 3.17Å; L107-W130 HydrophobicContact CD1-CE3 4.1Å; L107-W130 HydrophobicContact CD1-CZ3 3.59Å; W130-N132 HydrophobicContact CD2-CB 3.91Å; W130-N132 HydrophobicContact CE3-CB 3.7Å; W130-N132 HydrophobicContact CH2-CB 3.33Å; W130-N132 WeakPolarHBondContact CH2-ND2 3.29Å; W130-N132 HydrophobicContact CZ2-CB 3.57Å; W130-N132 VanDerWaalsContact CZ2-CG 3.47Å; W130-N132 VanDerWaalsContact CZ2-ND2 3.27Å; W130-N132 WeakPolarHBondContact CZ2-ND2 3.5Å; W130-N132 HydrophobicContact CZ3-CB 3.4Å; W130-N132 VanDerWaalsContact CZ3-CB 3.4Å; W130-N132 PolarHBondContact O-N 3.2Å; W130-H133 AromaticContact CE3-CD2 3.95Å; W130-H133 AromaticContact CE3-NE2 3.79Å; W130-H133 WeakPolarHBondContact O-CB 3.38Å; W130-H133 PolarHBondContact O-N 3.46Å; W130-N209 HydrophobicContact CB-CB 4.35Å; W130-N209 PolarHBondContact N-O 2.96Å | ||
| 131 | G | 90.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 39.3 Ų | 39.3 | 51% | 0.505 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | T129 H133 S134 | T129-G131 PolarHBondContact O-N 3.39Å; G131-H133 VanDerWaalsContact C-N 3.29Å; G131-H133 PolarHBondContact O-N 2.91Å; G131-S134 PolarHBondContact O-OG 2.8Å |
| 132 | N | 94.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 36.3 Ų | 36.3 | 26% | 0.257 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -74.7 | -16.6 | 175.2 | -80.9 | 17.5 | 0 | 0 | 0 | 113.2 | W130 L135 I136 | W130-N132 HydrophobicContact CD2-CB 3.91Å; W130-N132 HydrophobicContact CE3-CB 3.7Å; W130-N132 HydrophobicContact CH2-CB 3.33Å; W130-N132 WeakPolarHBondContact CH2-ND2 3.29Å; W130-N132 HydrophobicContact CZ2-CB 3.57Å; W130-N132 VanDerWaalsContact CZ2-CG 3.47Å; W130-N132 VanDerWaalsContact CZ2-ND2 3.27Å; W130-N132 WeakPolarHBondContact CZ2-ND2 3.5Å; W130-N132 HydrophobicContact CZ3-CB 3.4Å; W130-N132 VanDerWaalsContact CZ3-CB 3.4Å; W130-N132 PolarHBondContact O-N 3.2Å; N132-L135 PolarHBondContact O-N 3.48Å; N132-I136 HydrophobicContact CB-CD1 4.29Å; N132-I136 WeakPolarHBondContact O-CB 3.35Å; N132-I136 WeakPolarHBondContact O-CD1 3.29Å; N132-I136 WeakPolarHBondContact O-CG1 3.49Å; N132-I136 PolarHBondContact O-N 3.49Å |
| 133 | H | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.8 | -52.6 | 178.4 | -69.5 | 154.2 | 0 | 0 | 0 | 111.9 | I125 T129 W130 G131 I136 L137 H204 D237 | I125-H133 HydrophobicContact CD1-CB 4.45Å; I125-H133 HydrophobicContact CG2-CB 4.16Å; T129-H133 HydrophobicContact CG2-CB 4.19Å; T129-H133 PolarHBondContact OG1-ND1 3.24Å; W130-H133 AromaticContact CE3-CD2 3.95Å; W130-H133 AromaticContact CE3-NE2 3.79Å; W130-H133 WeakPolarHBondContact O-CB 3.38Å; W130-H133 PolarHBondContact O-N 3.46Å; G131-H133 VanDerWaalsContact C-N 3.29Å; G131-H133 PolarHBondContact O-N 2.91Å; H133-I136 PolarHBondContact O-N 3.19Å; H133-L137 WeakPolarHBondContact O-CB 3.38Å; H133-L137 WeakPolarHBondContact O-CD1 3.46Å; H133-L137 VanDerWaalsContact O-CG 3.23Å; H133-L137 WeakPolarHBondContact O-CG 3.37Å; H133-L137 PolarHBondContact O-N 3.47Å; H133-H204 AromaticContact CE1-CE1 3.64Å; H133-H204 AromaticContact CE1-NE2 3.24Å; H133-H204 PolarHBondContact CE1-NE2 2.93Å; H133-H204 AromaticContact ND1-NE2 3.66Å; H133-D237 IonicContact CE1-OD2 2.88Å; H133-D237 IonicContact NE2-OD2 3.83Å; H133-D237 PolarHBondContact NE2-OD2 2.78Å |
| 134 | S | 96.8 | Very high | 95.9 | Very high | 38 Ų | 38 | 46.2 Ų | 46.2 | 27% | 0.266 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.6 | -45.2 | 176.9 | 54.1 | 0 | 0 | 0 | 0 | 111.5 | G131 I136 L137 E138 | G131-S134 PolarHBondContact O-OG 2.8Å; S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact O-N 3.02Å; S134-L137 PolarHBondContact O-N 2.79Å; S134-E138 WeakPolarHBondContact O-CB 3.2Å; S134-E138 VanDerWaalsContact O-CG 3.25Å; S134-E138 WeakPolarHBondContact O-CG 3.11Å; S134-E138 PolarHBondContact O-N 3.48Å |
| 135 | L | 95.6 | Very high | 95.8 | Very high | 77 Ų | 77 | 48.3 Ų | 48.3 | 40% | 0.403 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 179 | -179.1 | 63.7 | 0 | 0 | 0 | 112.2 | N132 R139 | N132-L135 PolarHBondContact O-N 3.48Å; L135-R139 HydrophobicContact CD1-CG 4.1Å; L135-R139 WeakPolarHBondContact O-CB 3.09Å; L135-R139 WeakPolarHBondContact O-CG 3.41Å; L135-R139 PolarHBondContact O-N 2.81Å |
| 136 | I | 98.2 | Very high | 95.7 | Very high | 12 Ų | 12 | 51.4 Ų | 51.4 | 6% | 0.062 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -48.9 | 178.3 | -69.4 | 165.6 | 0 | 0 | 0 | 109.9 | T104 L107 R108 L111 N132 H133 S134 E138 R139 V140 | T104-I136 HydrophobicContact CG2-CD1 4.07Å; L107-I136 HydrophobicContact CB-CD1 3.82Å; L107-I136 HydrophobicContact CD1-CD1 4.39Å; R108-I136 HydrophobicContact CB-CG2 4.26Å; L111-I136 HydrophobicContact CB-CG2 4.48Å; L111-I136 HydrophobicContact CD1-CG2 3.76Å; N132-I136 HydrophobicContact CB-CD1 4.29Å; N132-I136 WeakPolarHBondContact O-CB 3.35Å; N132-I136 WeakPolarHBondContact O-CD1 3.29Å; N132-I136 WeakPolarHBondContact O-CG1 3.49Å; N132-I136 PolarHBondContact O-N 3.49Å; H133-I136 PolarHBondContact O-N 3.19Å; S134-I136 VanDerWaalsContact C-N 3.33Å; S134-I136 PolarHBondContact O-N 3.02Å; I136-E138 PolarHBondContact O-N 2.93Å; I136-R139 CarbonylContact O-C 3.47Å; I136-R139 PolarHBondContact O-N 2.9Å; I136-V140 HydrophobicContact CG2-CG2 4.17Å; I136-V140 WeakPolarHBondContact O-CB 3.21Å; I136-V140 VanDerWaalsContact O-CG2 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.47Å; I136-V140 PolarHBondContact O-N 3.41Å |
| 137 | L | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | -179.6 | -70.9 | 166.9 | 0 | 0 | 0 | 112.1 | L111 A123 I125 H133 S134 R139 V140 G141 Y142 I145 | L111-L137 HydrophobicContact CD1-CD2 3.87Å; L111-L137 HydrophobicContact CD1-CG 4.21Å; L111-L137 HydrophobicContact CD2-CD2 3.9Å; L111-L137 HydrophobicContact CG-CD2 4.31Å; A123-L137 HydrophobicContact CB-CD1 3.69Å; A123-L137 HydrophobicContact CB-CD2 3.49Å; A123-L137 VanDerWaalsContact CB-CD2 3.49Å; A123-L137 HydrophobicContact CB-CG 4.2Å; I125-L137 HydrophobicContact CG2-CD1 3.51Å; H133-L137 WeakPolarHBondContact O-CB 3.38Å; H133-L137 WeakPolarHBondContact O-CD1 3.46Å; H133-L137 VanDerWaalsContact O-CG 3.23Å; H133-L137 WeakPolarHBondContact O-CG 3.37Å; H133-L137 PolarHBondContact O-N 3.47Å; S134-L137 PolarHBondContact O-N 2.79Å; L137-R139 PolarHBondContact O-N 2.95Å; L137-V140 PolarHBondContact O-N 3.42Å; L137-G141 PolarHBondContact O-N 3.09Å; L137-Y142 HydrophobicContact CB-CD2 4.22Å; L137-Y142 HydrophobicContact CB-CG 4.37Å; L137-Y142 HydrophobicContact CD2-CD1 4.08Å; L137-Y142 HydrophobicContact CD2-CD2 3.48Å; L137-Y142 VanDerWaalsContact CD2-CD2 3.48Å; L137-Y142 HydrophobicContact CD2-CE1 4.16Å; L137-Y142 HydrophobicContact CD2-CE2 3.58Å; L137-Y142 HydrophobicContact CD2-CG 3.75Å; L137-Y142 HydrophobicContact CG-CD2 4.48Å; L137-Y142 PolarHBondContact O-N 2.8Å; L137-Y142 VanDerWaalsContact O-N 3.11Å; L137-I145 HydrophobicContact CB-CD1 3.56Å; L137-I145 HydrophobicContact CB-CG1 3.99Å; L137-I145 HydrophobicContact CD1-CG1 4.46Å; L137-I145 HydrophobicContact CD1-CG2 4.01Å |
| 138 | E | 96.6 | Very high | 95.6 | Very high | 110 Ų | 110 | 53.9 Ų | 53.9 | 51% | 0.514 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.9 | -44.9 | 176.6 | -72.3 | 167.2 | -162 | 0 | 0 | 111.6 | S134 I136 V140 G141 I145 | S134-E138 WeakPolarHBondContact O-CB 3.2Å; S134-E138 VanDerWaalsContact O-CG 3.25Å; S134-E138 WeakPolarHBondContact O-CG 3.11Å; S134-E138 PolarHBondContact O-N 3.48Å; I136-E138 PolarHBondContact O-N 2.93Å; E138-V140 VanDerWaalsContact C-N 3.33Å; E138-G141 PolarHBondContact O-N 3.4Å; E138-I145 HydrophobicContact CB-CD1 4.36Å; E138-I145 HydrophobicContact CG-CD1 3.52Å |
| 139 | R | 96.6 | Very high | 95.7 | Very high | 184 Ų | 184 | 57.7 Ų | 57.7 | 69% | 0.694 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -76 | -19.6 | 180 | -64.4 | -62.4 | 178.6 | -167.1 | -1.5 | 113.3 | R108 L135 I136 L137 | R108-R139 PolarHBondContact NH1-O 3.21Å; L135-R139 HydrophobicContact CD1-CG 4.1Å; L135-R139 WeakPolarHBondContact O-CB 3.09Å; L135-R139 WeakPolarHBondContact O-CG 3.41Å; L135-R139 PolarHBondContact O-N 2.81Å; I136-R139 CarbonylContact O-C 3.47Å; I136-R139 PolarHBondContact O-N 2.9Å; L137-R139 PolarHBondContact O-N 2.95Å |
| 140 | V | 97.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -74.2 | -37.8 | 169.4 | 166.4 | 0 | 0 | 0 | 0 | 109.7 | L111 E112 H115 I136 L137 E138 Y142 | L111-V140 HydrophobicContact CB-CG2 4.48Å; E112-V140 HydrophobicContact CB-CG1 4.28Å; E112-V140 HydrophobicContact CB-CG2 4.06Å; H115-V140 HydrophobicContact CB-CG1 3.57Å; H115-V140 VanDerWaalsContact CD2-CG1 3.5Å; H115-V140 WeakPolarHBondContact CD2-CG1 3.37Å; H115-V140 PolarHBondContact CD2-O 2.9Å; I136-V140 HydrophobicContact CG2-CG2 4.17Å; I136-V140 WeakPolarHBondContact O-CB 3.21Å; I136-V140 VanDerWaalsContact O-CG2 3.28Å; I136-V140 WeakPolarHBondContact O-CG2 3.47Å; I136-V140 PolarHBondContact O-N 3.41Å; L137-V140 PolarHBondContact O-N 3.42Å; E138-V140 VanDerWaalsContact C-N 3.33Å; V140-Y142 HydrophobicContact CB-CD2 3.99Å; V140-Y142 HydrophobicContact CB-CE2 4.16Å; V140-Y142 HydrophobicContact CG1-CD2 3.76Å; V140-Y142 HydrophobicContact CG1-CE2 3.63Å |
| 141 | G | 95.6 | Very high | 95.9 | Very high | 18 Ų | 18 | 54.8 Ų | 54.8 | 19% | 0.186 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 117.9 | 10.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L137 E138 K143 | L137-G141 PolarHBondContact O-N 3.09Å; E138-G141 PolarHBondContact O-N 3.4Å; G141-K143 WeakPolarHBondContact O-CD 3.3Å; G141-K143 WeakPolarHBondContact O-CE 3.5Å; G141-K143 PolarHBondContact O-N 2.8Å |
| 142 | Y | 95 | Very high | 96.1 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | trans | -54.4 | 128.9 | 171.8 | -78 | -100.1 | 0 | 0 | 0 | 109.8 | L111 H115 T120 A123 L137 V140 V200 | L111-Y142 HydrophobicContact CB-CE2 4.19Å; L111-Y142 WeakPolarHBondContact O-CE2 3.32Å; L111-Y142 PolarHBondContact O-OH 3.43Å; H115-Y142 HydrophobicContact CB-CD2 4.44Å; H115-Y142 HydrophobicContact CB-CE2 3.79Å; T120-Y142 HydrophobicContact CG2-CE1 4.3Å; A123-Y142 HydrophobicContact CB-CD1 3.64Å; A123-Y142 HydrophobicContact CB-CE1 3.89Å; A123-Y142 HydrophobicContact CB-CG 4.3Å; L137-Y142 HydrophobicContact CB-CD2 4.22Å; L137-Y142 HydrophobicContact CB-CG 4.37Å; L137-Y142 HydrophobicContact CD2-CD1 4.08Å; L137-Y142 HydrophobicContact CD2-CD2 3.48Å; L137-Y142 VanDerWaalsContact CD2-CD2 3.48Å; L137-Y142 HydrophobicContact CD2-CE1 4.16Å; L137-Y142 HydrophobicContact CD2-CE2 3.58Å; L137-Y142 HydrophobicContact CD2-CG 3.75Å; L137-Y142 HydrophobicContact CG-CD2 4.48Å; L137-Y142 PolarHBondContact O-N 2.8Å; L137-Y142 VanDerWaalsContact O-N 3.11Å; V140-Y142 HydrophobicContact CB-CD2 3.99Å; V140-Y142 HydrophobicContact CB-CE2 4.16Å; V140-Y142 HydrophobicContact CG1-CD2 3.76Å; V140-Y142 HydrophobicContact CG1-CE2 3.63Å; Y142-V200 HydrophobicContact CE1-CG2 4.29Å | ||
| 143 | K | 92.3 | Very high | 95.9 | Very high | 165 Ų | 165 | 56.4 Ų | 56.4 | 72% | 0.717 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -88.8 | -30.1 | -174.4 | -58.8 | -57 | -179.5 | -173.6 | 0 | 112.3 | N121 G141 | N121-K143 HydrophobicContact CB-CB 4.33Å; N121-K143 HydrophobicContact CB-CG 4.2Å; N121-K143 PolarHBondContact O-N 3.28Å; G141-K143 WeakPolarHBondContact O-CD 3.3Å; G141-K143 WeakPolarHBondContact O-CE 3.5Å; G141-K143 PolarHBondContact O-N 2.8Å |
| 144 | V | 92.9 | Very high | 95.4 | Very high | 51 Ų | 51 | 61 Ų | 61 | 31% | 0.309 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 104.2 | -178 | -177.8 | 0 | 0 | 0 | 0 | 108.4 | N121 T122 A123 K146 | N121-V144 PolarHBondContact O-N 3.38Å; N121-V144 VanDerWaalsContact O-N 3.17Å; T122-V144 CarbonylContact C-O 3.33Å; T122-V144 VanDerWaalsContact CA-O 3.29Å; T122-V144 WeakPolarHBondContact CA-O 3.37Å; T122-V144 HydrophobicContact CG2-CB 4.06Å; T122-V144 HydrophobicContact CG2-CG1 3.94Å; A123-V144 PolarHBondContact N-O 3.23Å; V144-K146 HydrophobicContact CG1-CD 4.01Å; V144-K146 HydrophobicContact CG1-CG 3.89Å |
| 145 | I | 95.1 | Very high | 95.1 | Very high | 52 Ų | 52 | 65.4 Ų | 65.4 | 27% | 0.267 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 102.7 | 176.1 | -58.5 | 166.8 | 0 | 0 | 0 | 107.1 | A123 I125 L137 E138 | A123-I145 WeakPolarHBondContact O-CA 3.36Å; I125-I145 HydrophobicContact CD1-CG2 3.98Å; L137-I145 HydrophobicContact CB-CD1 3.56Å; L137-I145 HydrophobicContact CB-CG1 3.99Å; L137-I145 HydrophobicContact CD1-CG1 4.46Å; L137-I145 HydrophobicContact CD1-CG2 4.01Å; E138-I145 HydrophobicContact CB-CD1 4.36Å; E138-I145 HydrophobicContact CG-CD1 3.52Å |
| 146 | K | 95.1 | Very high | 94.9 | Very high | 68 Ų | 68 | 64 Ų | 64 | 30% | 0.296 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 153.3 | -179.8 | -76.1 | 177.1 | 175.8 | -172.2 | 0 | 110.3 | A123 Y124 I125 V144 | A123-K146 PolarHBondContact O-N 3.5Å; Y124-K146 VanDerWaalsContact CA-O 3.32Å; Y124-K146 WeakPolarHBondContact CA-O 3.27Å; Y124-K146 HydrophobicContact CD1-CB 3.66Å; Y124-K146 HydrophobicContact CE1-CB 3.51Å; Y124-K146 HydrophobicContact CE1-CD 3.72Å; Y124-K146 HydrophobicContact CE1-CG 4.24Å; Y124-K146 HydrophobicContact CE2-CD 4.38Å; Y124-K146 HydrophobicContact CG-CB 4.27Å; Y124-K146 VanDerWaalsContact OH-CD 3.25Å; Y124-K146 WeakPolarHBondContact OH-CD 3.21Å; I125-K146 PolarHBondContact N-O 2.87Å; V144-K146 HydrophobicContact CG1-CD 4.01Å; V144-K146 HydrophobicContact CG1-CG 3.89Å |
| 147 | K | 96.5 | Very high | 94.7 | Very high | 119 Ų | 119 | 65.9 Ų | 65.9 | 52% | 0.517 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 144 | 171.5 | -72.4 | -178.1 | 167.8 | -163.7 | 0 | 110.1 | I125 D127 | I125-K147 HydrophobicContact CG1-CG 4.2Å; I125-K147 CarbonylContact O-C 3.59Å; I125-K147 WeakPolarHBondContact O-CA 3.4Å; D127-K147 HydrophobicContact CB-CB 4.17Å; D127-K147 HydrophobicContact CB-CD 4.03Å; D127-K147 IonicContact OD1-NZ 4Å; D127-K147 PolarHBondContact OD1-NZ 3.43Å; D127-K147 IonicContact OD2-NZ 3.6Å |
| 148 | Y | 97.5 | Very high | 94.7 | Very high | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.008 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 140.1 | 165.9 | 63 | -94.9 | 0 | 0 | 0 | 109.3 | I125 S126 D127 Y150 M163 L167 V201 V202 | I125-Y148 VanDerWaalsContact O-CD1 3.23Å; I125-Y148 WeakPolarHBondContact O-CD1 3.45Å; I125-Y148 PolarHBondContact O-N 3.45Å; S126-Y148 CarbonylContact C-O 3.5Å; S126-Y148 VanDerWaalsContact CA-CZ 3.48Å; S126-Y148 WeakPolarHBondContact CA-O 3.47Å; S126-Y148 WeakPolarHBondContact CB-OH 3.32Å; S126-Y148 PolarHBondContact OG-OH 3.5Å; D127-Y148 PolarHBondContact N-O 2.81Å; Y148-Y150 AromaticContact CE2-CD2 3.95Å; Y148-Y150 HydrophobicContact CE2-CD2 3.95Å; Y148-Y150 PolarHBondContact O-N 3.39Å; Y148-M163 HydrophobicContact CD2-CB 4.39Å; Y148-M163 HydrophobicContact CD2-CE 4.23Å; Y148-M163 HydrophobicContact CD2-CG 3.71Å; Y148-M163 HydrophobicContact CD2-SD 4.29Å; Y148-M163 HydrophobicContact CE2-CE 3.72Å; Y148-M163 HydrophobicContact CE2-CG 4.05Å; Y148-M163 HydrophobicContact CE2-SD 4.01Å; Y148-L167 HydrophobicContact CD1-CD2 4.15Å; Y148-L167 HydrophobicContact CG-CD2 4.26Å; Y148-L167 HydrophobicContact CG-CG 4.47Å; Y148-V201 HydrophobicContact CE1-CG1 4Å; Y148-V202 PolarHBondContact OH-O 3.37Å |
| 149 | R | 98 | Very high | 94.7 | Very high | 106 Ų | 106 | 63.4 Ų | 63.4 | 40% | 0.4 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 135.3 | 177.2 | -75.1 | 169.1 | -75.4 | 175.4 | -7.7 | 110.3 | D159 G162 M163 D166 | R149-D159 HydrophobicContact CB-CB 4.49Å; R149-D159 WeakPolarHBondContact CD-OD2 3.39Å; R149-G162 VanDerWaalsContact CZ-CA 3.47Å; R149-M163 WeakPolarHBondContact O-CA 3.25Å; R149-M163 WeakPolarHBondContact O-CB 3.48Å; R149-M163 PolarHBondContact O-N 3.46Å; R149-D166 WeakPolarHBondContact CB-OD2 3.32Å; R149-D166 VanDerWaalsContact CG-OD2 3.29Å; R149-D166 WeakPolarHBondContact CG-OD2 3.47Å; R149-D166 IonicContact CZ-OD1 3.94Å; R149-D166 IonicContact CZ-OD2 2.6Å; R149-D166 PolarHBondContact N-OD2 3.32Å; R149-D166 IonicContact NE-OD1 3.71Å; R149-D166 PolarHBondContact NE-OD1 3.01Å; R149-D166 IonicContact NE-OD2 3.53Å; R149-D166 PolarHBondContact NE-OD2 2.74Å; R149-D166 IonicContact NH2-OD1 3.21Å; R149-D166 PolarHBondContact NH2-OD1 3.48Å; R149-D166 IonicContact NH2-OD2 3Å |
| 150 | Y | 98.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | trans | -133.2 | -31.8 | 175.6 | -165.2 | -98 | 0 | 0 | 0 | 112.3 | D127 Y148 I158 D159 M163 H208 T211 M213 L215 | D127-Y150 PolarHBondContact O-N 2.96Å; Y148-Y150 AromaticContact CE2-CD2 3.95Å; Y148-Y150 HydrophobicContact CE2-CD2 3.95Å; Y148-Y150 PolarHBondContact O-N 3.39Å; Y150-I158 HydrophobicContact CE1-CG1 4.47Å; Y150-I158 CarbonylContact O-C 3.55Å; Y150-I158 VanDerWaalsContact O-CA 3.26Å; Y150-I158 WeakPolarHBondContact O-CA 3.39Å; Y150-D159 PolarHBondContact O-N 2.92Å; Y150-M163 HydrophobicContact CD2-SD 4.03Å; Y150-M163 HydrophobicContact CE2-SD 4.19Å; Y150-H208 AromaticContact CD1-CD2 3.64Å; Y150-H208 AromaticContact CD1-CE1 3.64Å; Y150-H208 AromaticContact CD1-CG 3.85Å; Y150-H208 AromaticContact CD1-ND1 3.87Å; Y150-H208 AromaticContact CD1-NE2 3.5Å; Y150-H208 HydrophobicContact CE1-CB 3.77Å; Y150-H208 AromaticContact CE1-CD2 3.26Å; Y150-H208 WeakPolarHBondContact CE1-CD2 3.3Å; Y150-H208 AromaticContact CE1-CE1 3.89Å; Y150-H208 AromaticContact CE1-CG 3.28Å; Y150-H208 AromaticContact CE1-ND1 3.72Å; Y150-H208 AromaticContact CE1-NE2 3.67Å; Y150-H208 AromaticContact CG-NE2 3.9Å; Y150-H208 AromaticContact CZ-CD2 3.48Å; Y150-H208 VanDerWaalsContact CZ-CD2 3.48Å; Y150-H208 AromaticContact CZ-CG 3.81Å; Y150-T211 HydrophobicContact CD1-CG2 4.2Å; Y150-M213 PolarHBondContact OH-O 2.91Å; Y150-L215 HydrophobicContact CE2-CD2 4.25Å; Y150-L215 HydrophobicContact CE2-CG 4.41Å | ||
| 151 | W | 95.8 | Very high | 94.9 | Very high | 20 Ų | 20 | 62.1 Ų | 62.1 | 8% | 0.076 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 128.7 | -176.2 | 179.7 | -102.9 | 0 | 0 | 0 | 112.5 | D127 R156 T211 M213 F377 | D127-W151 PolarHBondContact O-N 3.1Å; W151-R156 VanDerWaalsContact CH2-CA 3.49Å; W151-R156 HydrophobicContact CH2-CB 3.84Å; W151-R156 WeakPolarHBondContact CH2-O 3.44Å; W151-R156 HydrophobicContact CZ2-CB 3.66Å; W151-R156 HydrophobicContact CZ2-CG 4.15Å; W151-T211 HydrophobicContact CB-CG2 4.13Å; W151-T211 HydrophobicContact CD2-CG2 4.17Å; W151-T211 HydrophobicContact CE3-CG2 3.78Å; W151-T211 HydrophobicContact CG-CG2 4.35Å; W151-M213 HydrophobicContact CZ3-CG 3.86Å; W151-F377 AromaticContact CD1-CE1 3.72Å; W151-F377 AromaticContact CD2-CD1 3.97Å; W151-F377 HydrophobicContact CD2-CD1 3.97Å; W151-F377 HydrophobicContact CD2-CE1 4.37Å; W151-F377 AromaticContact CE2-CD1 3.48Å; W151-F377 VanDerWaalsContact CE2-CD1 3.48Å; W151-F377 AromaticContact CE2-CE1 3.89Å; W151-F377 HydrophobicContact CG-CD1 4.29Å; W151-F377 HydrophobicContact CG-CE1 4.24Å; W151-F377 HydrophobicContact CH2-CD1 4.38Å; W151-F377 AromaticContact CZ2-CD1 3.7Å; W151-F377 HydrophobicContact CZ2-CD1 3.7Å; W151-F377 HydrophobicContact CZ2-CE1 4.46Å; W151-F377 AromaticContact NE1-CD1 3.58Å; W151-F377 AromaticContact NE1-CE1 3.46Å |
| 152 | N | 94.6 | Very high | 95 | Very high | 41 Ų | 41 | 61.4 Ų | 61.4 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 106.4 | 168.5 | -175.6 | -33.8 | 0 | 0 | 0 | 109.5 | A154 Q155 R156 N157 D159 | N152-A154 VanDerWaalsContact C-N 3.32Å; N152-A154 PolarHBondContact O-N 3.43Å; N152-A154 PolarHBondContact OD1-N 3.43Å; N152-Q155 HydrophobicContact CB-CB 4.36Å; N152-Q155 PolarHBondContact O-N 3.1Å; N152-Q155 PolarHBondContact OD1-N 3.25Å; N152-R156 VanDerWaalsContact O-CA 3.23Å; N152-R156 WeakPolarHBondContact O-CA 3.4Å; N152-R156 PolarHBondContact O-N 2.89Å; N152-N157 WeakPolarHBondContact CB-OD1 3.24Å; N152-N157 PolarHBondContact N-O 3.36Å; N152-N157 PolarHBondContact O-N 3.28Å; N152-D159 HydrophobicContact CB-CB 4.15Å |
| 153 | S | 90.2 | Very high | 95.1 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 63% | 0.629 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -30.4 | -178.3 | -60.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 154 | A | 88.8 | Confident | 95.4 | Very high | 95 Ų | 95 | 53.7 Ų | 53.7 | 79% | 0.785 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -42.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N152 | N152-A154 VanDerWaalsContact C-N 3.32Å; N152-A154 PolarHBondContact O-N 3.43Å; N152-A154 PolarHBondContact OD1-N 3.43Å |
| 155 | Q | 90.1 | Very high | 95.5 | Very high | 132 Ų | 132 | 55.2 Ų | 55.2 | 62% | 0.617 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -11 | -179.8 | -64.2 | -174.9 | -8.2 | 0 | 0 | 113.7 | N152 N157 | N152-Q155 HydrophobicContact CB-CB 4.36Å; N152-Q155 PolarHBondContact O-N 3.1Å; N152-Q155 PolarHBondContact OD1-N 3.25Å; Q155-N157 VanDerWaalsContact C-N 3.3Å; Q155-N157 WeakPolarHBondContact CB-OD1 3.41Å; Q155-N157 PolarHBondContact O-N 3.43Å; Q155-N157 PolarHBondContact OE1-ND2 2.87Å; Q155-N157 VanDerWaalsContact OE1-ND2 3.14Å; Q155-N157 PolarHBondContact OE1-OD1 3.45Å |
| 156 | R | 91.9 | Very high | 95.5 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 18% | 0.177 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.6 | 44.9 | -175.8 | -57.9 | 179.9 | 179 | 172.8 | -9.6 | 113.1 | W151 N152 S364 H367 | W151-R156 VanDerWaalsContact CH2-CA 3.49Å; W151-R156 HydrophobicContact CH2-CB 3.84Å; W151-R156 WeakPolarHBondContact CH2-O 3.44Å; W151-R156 HydrophobicContact CZ2-CB 3.66Å; W151-R156 HydrophobicContact CZ2-CG 4.15Å; N152-R156 VanDerWaalsContact O-CA 3.23Å; N152-R156 WeakPolarHBondContact O-CA 3.4Å; N152-R156 PolarHBondContact O-N 2.89Å; R156-S364 PolarHBondContact NH1-O 2.95Å; R156-H367 HydrophobicContact CB-CB 4.04Å; R156-H367 VanDerWaalsContact CD-CE1 3.45Å; R156-H367 WeakPolarHBondContact CD-CE1 3.32Å; R156-H367 PolarHBondContact NH1-CE1 3.4Å; R156-H367 VanDerWaalsContact NH1-CE1 3.34Å; R156-H367 WeakPolarHBondContact O-CB 3.4Å |
| 157 | N | 93.7 | Very high | 95.5 | Very high | 52 Ų | 52 | 51 Ų | 51 | 28% | 0.278 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | -172.6 | -179 | 66.8 | 5.7 | 0 | 0 | 0 | 110.8 | N152 Q155 | N152-N157 WeakPolarHBondContact CB-OD1 3.24Å; N152-N157 PolarHBondContact N-O 3.36Å; N152-N157 PolarHBondContact O-N 3.28Å; Q155-N157 VanDerWaalsContact C-N 3.3Å; Q155-N157 WeakPolarHBondContact CB-OD1 3.41Å; Q155-N157 PolarHBondContact O-N 3.43Å; Q155-N157 PolarHBondContact OE1-ND2 2.87Å; Q155-N157 VanDerWaalsContact OE1-ND2 3.14Å; Q155-N157 PolarHBondContact OE1-OD1 3.45Å |
| 158 | I | 96.8 | Very high | 95.2 | Very high | 23 Ų | 23 | 50.2 Ų | 50.2 | 12% | 0.118 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 127.9 | 179.3 | -57 | -177.9 | 0 | 0 | 0 | 110.6 | Y150 F160 M213 D214 L215 | Y150-I158 HydrophobicContact CE1-CG1 4.47Å; Y150-I158 CarbonylContact O-C 3.55Å; Y150-I158 VanDerWaalsContact O-CA 3.26Å; Y150-I158 WeakPolarHBondContact O-CA 3.39Å; I158-F160 VanDerWaalsContact C-N 3.31Å; I158-F160 HydrophobicContact CG2-CB 4.29Å; I158-F160 PolarHBondContact O-N 3.33Å; I158-F160 VanDerWaalsContact O-N 3.13Å; I158-M213 HydrophobicContact CD1-CB 3.85Å; I158-M213 HydrophobicContact CG1-CB 3.62Å; I158-M213 HydrophobicContact CG1-CG 4.46Å; I158-D214 WeakPolarHBondContact CD1-O 3.48Å; I158-L215 HydrophobicContact CD1-CD2 3.98Å; I158-L215 HydrophobicContact CG2-CD2 3.72Å |
| 159 | D | 97.9 | Very high | 94.5 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 19% | 0.187 | 28% | 0.283 | C | S | . | . | trans | -83.5 | 72.2 | 167.9 | -173.8 | 6.5 | 0 | 0 | 0 | 110.7 | R149 Y150 N152 G162 M163 | R149-D159 HydrophobicContact CB-CB 4.49Å; R149-D159 WeakPolarHBondContact CD-OD2 3.39Å; Y150-D159 PolarHBondContact O-N 2.92Å; N152-D159 HydrophobicContact CB-CB 4.15Å; D159-G162 PolarHBondContact O-N 3.15Å; D159-G162 WeakPolarHBondContact OD1-CA 3.38Å; D159-G162 PolarHBondContact OD1-N 3.16Å; D159-M163 WeakPolarHBondContact O-CB 3.43Å; D159-M163 PolarHBondContact O-N 2.91Å | ||
| 160 | F | 98.5 | Very high | 93 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 11% | 0.105 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | -176 | -176.7 | -111.5 | 0 | 0 | 0 | 112.4 | I158 M163 M164 L215 Q219 Q222 | I158-F160 VanDerWaalsContact C-N 3.31Å; I158-F160 HydrophobicContact CG2-CB 4.29Å; I158-F160 PolarHBondContact O-N 3.33Å; I158-F160 VanDerWaalsContact O-N 3.13Å; F160-M163 WeakPolarHBondContact O-CB 3.2Å; F160-M163 PolarHBondContact O-N 3.21Å; F160-M164 HydrophobicContact CD1-CG 4.24Å; F160-M164 HydrophobicContact CD2-CG 4.26Å; F160-M164 HydrophobicContact CE1-CG 3.81Å; F160-M164 HydrophobicContact CE1-SD 4.49Å; F160-M164 HydrophobicContact CE2-CG 3.84Å; F160-M164 HydrophobicContact CE2-SD 3.87Å; F160-M164 HydrophobicContact CG-CG 4.46Å; F160-M164 HydrophobicContact CZ-CE 4.34Å; F160-M164 HydrophobicContact CZ-CG 3.59Å; F160-M164 HydrophobicContact CZ-SD 3.72Å; F160-M164 VanDerWaalsContact O-CG 3.24Å; F160-M164 WeakPolarHBondContact O-CG 3.36Å; F160-M164 PolarHBondContact O-N 2.83Å; F160-L215 HydrophobicContact CD2-CD2 3.73Å; F160-L215 HydrophobicContact CE2-CD1 4.35Å; F160-L215 HydrophobicContact CE2-CD2 4.27Å; F160-Q219 HydrophobicContact CD1-CG 3.86Å; F160-Q219 HydrophobicContact CD2-CB 3.93Å; F160-Q219 HydrophobicContact CD2-CG 3.9Å; F160-Q219 HydrophobicContact CE1-CB 4.27Å; F160-Q219 HydrophobicContact CE1-CG 3.86Å; F160-Q219 HydrophobicContact CE2-CB 3.57Å; F160-Q219 HydrophobicContact CE2-CG 3.9Å; F160-Q219 HydrophobicContact CG-CB 4.42Å; F160-Q219 HydrophobicContact CG-CG 3.88Å; F160-Q219 HydrophobicContact CZ-CB 3.76Å; F160-Q219 HydrophobicContact CZ-CG 3.88Å; F160-Q222 HydrophobicContact CE1-CB 4.46Å; F160-Q222 HydrophobicContact CZ-CB 3.96Å |
| 161 | E | 98 | Very high | 91 | Very high | 150 Ų | 150 | 54.9 Ų | 54.9 | 70% | 0.701 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.3 | -44.2 | 176.4 | -66.9 | -174.9 | 174.8 | 0 | 0 | 111.2 | M164 N165 | E161-M164 PolarHBondContact O-N 2.79Å; E161-N165 WeakPolarHBondContact O-CB 3.45Å; E161-N165 PolarHBondContact O-N 2.7Å; E161-N165 PolarHBondContact O-ND2 2.98Å; E161-N165 VanDerWaalsContact O-ND2 3.15Å |
| 162 | G | 98 | Very high | 88.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | R149 D159 M164 N165 D166 | R149-G162 VanDerWaalsContact CZ-CA 3.47Å; D159-G162 PolarHBondContact O-N 3.15Å; D159-G162 WeakPolarHBondContact OD1-CA 3.38Å; D159-G162 PolarHBondContact OD1-N 3.16Å; G162-M164 PolarHBondContact O-N 2.78Å; G162-N165 PolarHBondContact O-N 3.27Å; G162-D166 WeakPolarHBondContact O-CB 3.44Å; G162-D166 VanDerWaalsContact O-CG 3.22Å; G162-D166 PolarHBondContact O-N 3.38Å |
| 163 | M | 98.2 | Very high | 86.3 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -53.4 | -52.7 | 174.7 | 179.7 | 173.5 | -179.1 | 0 | 0 | 111.6 | Y148 R149 Y150 D159 F160 N165 D166 L167 L203 L215 L223 | Y148-M163 HydrophobicContact CD2-CB 4.39Å; Y148-M163 HydrophobicContact CD2-CE 4.23Å; Y148-M163 HydrophobicContact CD2-CG 3.71Å; Y148-M163 HydrophobicContact CD2-SD 4.29Å; Y148-M163 HydrophobicContact CE2-CE 3.72Å; Y148-M163 HydrophobicContact CE2-CG 4.05Å; Y148-M163 HydrophobicContact CE2-SD 4.01Å; R149-M163 WeakPolarHBondContact O-CA 3.25Å; R149-M163 WeakPolarHBondContact O-CB 3.48Å; R149-M163 PolarHBondContact O-N 3.46Å; Y150-M163 HydrophobicContact CD2-SD 4.03Å; Y150-M163 HydrophobicContact CE2-SD 4.19Å; D159-M163 WeakPolarHBondContact O-CB 3.43Å; D159-M163 PolarHBondContact O-N 2.91Å; F160-M163 WeakPolarHBondContact O-CB 3.2Å; F160-M163 PolarHBondContact O-N 3.21Å; M163-N165 VanDerWaalsContact C-N 3.33Å; M163-N165 PolarHBondContact O-N 3.41Å; M163-D166 PolarHBondContact O-N 3.41Å; M163-L167 HydrophobicContact CE-CD1 3.82Å; M163-L167 HydrophobicContact CG-CD1 4.02Å; M163-L167 WeakPolarHBondContact O-CB 3.39Å; M163-L167 WeakPolarHBondContact O-CG 3.35Å; M163-L167 PolarHBondContact O-N 3.47Å; M163-L203 HydrophobicContact CE-CD2 3.84Å; M163-L215 HydrophobicContact CE-CD1 4.31Å; M163-L215 HydrophobicContact SD-CD1 4.12Å; M163-L215 HydrophobicContact SD-CD2 4.39Å; M163-L223 HydrophobicContact CE-CD1 3.85Å; M163-L223 HydrophobicContact CE-CD2 3.39Å; M163-L223 HydrophobicContact CE-CG 4.26Å |
| 164 | M | 97.7 | Very high | 84 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 7% | 0.069 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | -177.1 | -66.5 | -61.6 | -77.1 | 0 | 0 | 111.7 | F160 E161 G162 K168 Q222 L223 L226 | F160-M164 HydrophobicContact CD1-CG 4.24Å; F160-M164 HydrophobicContact CD2-CG 4.26Å; F160-M164 HydrophobicContact CE1-CG 3.81Å; F160-M164 HydrophobicContact CE1-SD 4.49Å; F160-M164 HydrophobicContact CE2-CG 3.84Å; F160-M164 HydrophobicContact CE2-SD 3.87Å; F160-M164 HydrophobicContact CG-CG 4.46Å; F160-M164 HydrophobicContact CZ-CE 4.34Å; F160-M164 HydrophobicContact CZ-CG 3.59Å; F160-M164 HydrophobicContact CZ-SD 3.72Å; F160-M164 VanDerWaalsContact O-CG 3.24Å; F160-M164 WeakPolarHBondContact O-CG 3.36Å; F160-M164 PolarHBondContact O-N 2.83Å; E161-M164 PolarHBondContact O-N 2.79Å; G162-M164 PolarHBondContact O-N 2.78Å; M164-K168 WeakPolarHBondContact O-CB 3.47Å; M164-K168 WeakPolarHBondContact O-CD 3.36Å; M164-K168 WeakPolarHBondContact O-CG 3.28Å; M164-K168 PolarHBondContact O-N 3.22Å; M164-Q222 HydrophobicContact CE-CB 4.27Å; M164-L223 HydrophobicContact SD-CB 4.38Å; M164-L223 HydrophobicContact SD-CD1 4.05Å; M164-L226 HydrophobicContact CE-CB 3.74Å; M164-L226 HydrophobicContact CE-CD2 3.62Å; M164-L226 HydrophobicContact CE-CG 4.28Å; M164-L226 HydrophobicContact SD-CD2 3.81Å |
| 165 | N | 96.2 | Very high | 81.7 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 177.1 | -72 | -26.3 | 0 | 0 | 0 | 112 | E161 G162 M163 L167 K168 S169 | E161-N165 WeakPolarHBondContact O-CB 3.45Å; E161-N165 PolarHBondContact O-N 2.7Å; E161-N165 PolarHBondContact O-ND2 2.98Å; E161-N165 VanDerWaalsContact O-ND2 3.15Å; G162-N165 PolarHBondContact O-N 3.27Å; M163-N165 VanDerWaalsContact C-N 3.33Å; M163-N165 PolarHBondContact O-N 3.41Å; N165-L167 PolarHBondContact O-N 3.31Å; N165-K168 PolarHBondContact O-N 3.05Å; N165-S169 WeakPolarHBondContact O-CB 3.21Å; N165-S169 PolarHBondContact O-N 3.03Å; N165-S169 PolarHBondContact O-OG 3Å |
| 166 | D | 95.1 | Very high | 79 | Confident | 31 Ų | 31 | 65.9 Ų | 65.9 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 177.9 | -66.7 | -17.7 | 0 | 0 | 0 | 111.3 | R149 G162 M163 S169 | R149-D166 WeakPolarHBondContact CB-OD2 3.32Å; R149-D166 VanDerWaalsContact CG-OD2 3.29Å; R149-D166 WeakPolarHBondContact CG-OD2 3.47Å; R149-D166 IonicContact CZ-OD1 3.94Å; R149-D166 IonicContact CZ-OD2 2.6Å; R149-D166 PolarHBondContact N-OD2 3.32Å; R149-D166 IonicContact NE-OD1 3.71Å; R149-D166 PolarHBondContact NE-OD1 3.01Å; R149-D166 IonicContact NE-OD2 3.53Å; R149-D166 PolarHBondContact NE-OD2 2.74Å; R149-D166 IonicContact NH2-OD1 3.21Å; R149-D166 PolarHBondContact NH2-OD1 3.48Å; R149-D166 IonicContact NH2-OD2 3Å; G162-D166 WeakPolarHBondContact O-CB 3.44Å; G162-D166 VanDerWaalsContact O-CG 3.22Å; G162-D166 PolarHBondContact O-N 3.38Å; M163-D166 PolarHBondContact O-N 3.41Å; D166-S169 WeakPolarHBondContact CA-OG 3.18Å; D166-S169 PolarHBondContact O-OG 3.06Å |
| 167 | L | 94 | Very high | 76.3 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.3 | -29.3 | 176.6 | -64.5 | 177.9 | 0 | 0 | 0 | 112.8 | Y124 Y148 M163 N165 T170 V201 L223 L226 | Y124-L167 HydrophobicContact CD1-CD2 4.13Å; Y124-L167 HydrophobicContact CG-CD2 4.24Å; Y148-L167 HydrophobicContact CD1-CD2 4.15Å; Y148-L167 HydrophobicContact CG-CD2 4.26Å; Y148-L167 HydrophobicContact CG-CG 4.47Å; M163-L167 HydrophobicContact CE-CD1 3.82Å; M163-L167 HydrophobicContact CG-CD1 4.02Å; M163-L167 WeakPolarHBondContact O-CB 3.39Å; M163-L167 WeakPolarHBondContact O-CG 3.35Å; M163-L167 PolarHBondContact O-N 3.47Å; N165-L167 PolarHBondContact O-N 3.31Å; L167-T170 WeakPolarHBondContact O-CB 3.46Å; L167-T170 VanDerWaalsContact O-CG2 3.28Å; L167-T170 WeakPolarHBondContact O-CG2 3.47Å; L167-T170 PolarHBondContact O-OG1 3.44Å; L167-V201 HydrophobicContact CD1-CG1 4.29Å; L167-V201 HydrophobicContact CD2-CG1 4Å; L167-V201 HydrophobicContact CD2-CG2 4.13Å; L167-L223 HydrophobicContact CD1-CD1 3.62Å; L167-L226 HydrophobicContact CB-CD2 3.76Å |
| 168 | K | 91 | Very high | 73.4 | Confident | 104 Ų | 104 | 77.7 Ų | 77.7 | 45% | 0.452 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -71.6 | -36.3 | 172.7 | -80.4 | 170.4 | -176 | 178.2 | 0 | 113.1 | M164 N165 T170 L226 K230 | M164-K168 WeakPolarHBondContact O-CB 3.47Å; M164-K168 WeakPolarHBondContact O-CD 3.36Å; M164-K168 WeakPolarHBondContact O-CG 3.28Å; M164-K168 PolarHBondContact O-N 3.22Å; N165-K168 PolarHBondContact O-N 3.05Å; K168-T170 PolarHBondContact O-N 3.03Å; K168-L226 HydrophobicContact CG-CD1 3.44Å; K168-L226 VanDerWaalsContact CG-CD1 3.44Å; K168-L226 HydrophobicContact CG-CD2 3.95Å; K168-L226 HydrophobicContact CG-CG 4.37Å; K168-K230 WeakPolarHBondContact O-CE 3.27Å; K168-K230 PolarHBondContact O-NZ 3.44Å |
| 169 | S | 81.5 | Confident | 70.2 | Confident | 70 Ų | 70 | 84.4 Ų | 84.4 | 49% | 0.49 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.8 | 178.5 | 60 | 0 | 0 | 0 | 0 | 113.6 | N165 D166 F171 | N165-S169 WeakPolarHBondContact O-CB 3.21Å; N165-S169 PolarHBondContact O-N 3.03Å; N165-S169 PolarHBondContact O-OG 3Å; D166-S169 WeakPolarHBondContact CA-OG 3.18Å; D166-S169 PolarHBondContact O-OG 3.06Å; S169-F171 WeakPolarHBondContact O-CD2 3.48Å; S169-F171 PolarHBondContact O-N 3.39Å |
| 170 | T | 68 | Low | 67.2 | Low | 4 Ų | 4 | 89.7 Ų | 89.7 | 3% | 0.025 | 45% | 0.445 | C | S | . | . | trans | -55.2 | 103.2 | 158.2 | 58 | 0 | 0 | 0 | 0 | 108 | Y124 L167 K168 K230 | Y124-T170 HydrophobicContact CD2-CG2 4.43Å; Y124-T170 HydrophobicContact CE1-CG2 3.77Å; Y124-T170 HydrophobicContact CE2-CG2 3.64Å; Y124-T170 WeakPolarHBondContact OH-CG2 3.19Å; L167-T170 WeakPolarHBondContact O-CB 3.46Å; L167-T170 VanDerWaalsContact O-CG2 3.28Å; L167-T170 WeakPolarHBondContact O-CG2 3.47Å; L167-T170 PolarHBondContact O-OG1 3.44Å; K168-T170 PolarHBondContact O-N 3.03Å; T170-K230 PolarHBondContact O-NZ 2.82Å | ||
| 171 | F | 55.6 | Low | 64.2 | Low | 136 Ų | 136 | 94.1 Ų | 94.1 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | trans | -60.8 | 150.5 | 169.7 | -74.6 | -81.7 | 0 | 0 | 0 | 108.6 | S169 A195 | S169-F171 WeakPolarHBondContact O-CD2 3.48Å; S169-F171 PolarHBondContact O-N 3.39Å; F171-A195 CarbonylContact C-O 3.38Å; F171-A195 CarbonylContact O-C 3.53Å; F171-A195 VanDerWaalsContact O-CB 3.31Å; F171-A195 WeakPolarHBondContact O-CB 3.43Å | ||
| 172 | V | 49 | Very low | 61.1 | Low | 63 Ų | 63 | 95.6 Ų | 95.6 | 38% | 0.382 | 48% | 0.478 | S | S | . | . | trans | -117.6 | 102.3 | 166.5 | 174.4 | 0 | 0 | 0 | 0 | 103.5 | A195 E197 | V172-A195 WeakPolarHBondContact CA-O 3.49Å; V172-E197 HydrophobicContact CG1-CG 3.58Å; V172-E197 HydrophobicContact CG2-CG 4.43Å | ||
| 173 | Q | 42.8 | Very low | 58.2 | Low | 133 Ų | 133 | 103.9 Ų | 103.9 | 62% | 0.621 | 52% | 0.516 | S | S | * | . | trans | -83 | 115 | 160.7 | -96 | -170.2 | -2.5 | 0 | 0 | 107.8 | A195 | Q173-A195 PolarHBondContact N-O 3.25Š| ||
| 174 | G | 41.3 | Very low | 55.1 | Low | 57 Ų | 57 | 110 Ų | 110 | 59% | 0.588 | 56% | 0.556 | S | S | * | * | trans | -58.2 | 147.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110 | Q176 | G174-Q176 PolarHBondContact O-N 3.46Å; G174-Q176 VanDerWaalsContact O-N 3.11Å | ||
| 175 | F | 39.9 | Very low | 52.3 | Low | 197 Ų | 197 | 112.6 Ų | 112.6 | 86% | 0.864 | 59% | 0.587 | S | S | * | * | trans | -56.7 | 115.8 | 174.4 | -73.4 | -96.5 | 0 | 0 | 0 | 110 | ||||
| 176 | Q | 34.5 | Very low | 49.5 | Very low | 159 Ų | 159 | 115.9 Ų | 115.9 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | trans | -94.8 | 110.1 | 152.5 | -151.3 | 100.7 | 13 | 0 | 0 | 106 | G174 F178 | G174-Q176 PolarHBondContact O-N 3.46Å; G174-Q176 VanDerWaalsContact O-N 3.11Å; Q176-F178 HydrophobicContact CB-CD2 4.44Å; Q176-F178 HydrophobicContact CB-CE2 4.2Å; Q176-F178 HydrophobicContact CG-CE2 4.2Å; Q176-F178 PolarHBondContact O-N 3.32Å; Q176-F178 VanDerWaalsContact O-N 3.08Å | ||
| 177 | F | 34.8 | Very low | 46.8 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 80% | 0.803 | 64% | 0.641 | S | S | * | * | trans | -60.5 | 110.1 | 164.5 | -93.1 | -96.6 | 0 | 0 | 0 | 107.5 | ||||
| 178 | F | 31.8 | Very low | 44.1 | Very low | 164 Ų | 164 | 128.7 Ų | 128.7 | 72% | 0.719 | 67% | 0.672 | S | S | * | * | trans | -89.9 | 94.5 | 156.1 | -79.7 | -85.5 | 0 | 0 | 0 | 106.8 | Q176 D180 | Q176-F178 HydrophobicContact CB-CD2 4.44Å; Q176-F178 HydrophobicContact CB-CE2 4.2Å; Q176-F178 HydrophobicContact CG-CE2 4.2Å; Q176-F178 PolarHBondContact O-N 3.32Å; Q176-F178 VanDerWaalsContact O-N 3.08Å; F178-D180 PolarHBondContact O-N 3Å | ||
| 179 | E | 31 | Very low | 41.4 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 69% | 0.686 | S | S | * | * | trans | -71.1 | 81.7 | 154.2 | -78.6 | -168.5 | 157 | 0 | 0 | 107.3 | V181 | E179-V181 PolarHBondContact O-N 2.9Š| ||
| 180 | D | 34.3 | Very low | 39.6 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 70% | 0.698 | S | S | * | * | trans | -79.7 | 87.5 | 157.9 | -80.6 | -19.8 | 0 | 0 | 0 | 107.9 | F178 | F178-D180 PolarHBondContact O-N 3Š| ||
| 181 | V | 35.5 | Very low | 38 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 71% | 0.709 | 73% | 0.734 | S | S | * | * | trans | -9.8 | 120.9 | 147.8 | -175.2 | 0 | 0 | 0 | 0 | 113.1 | E179 | E179-V181 PolarHBondContact O-N 2.9Š| ||
| 182 | F | 33.4 | Very low | 37.2 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 10 | 113.2 | 153.1 | -75.1 | -94.6 | 0 | 0 | 0 | 116.9 | ||||
| 183 | H | 36.6 | Very low | 36.7 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 82% | 0.815 | 76% | 0.764 | S | S | * | * | 175.7 | 136.4 | 113.8 | -87.4 | -33.3 | 0 | 0 | 0 | 113.4 | |||||
| 184 | C | 33 | Very low | 36.7 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | trans | 68.8 | 127.7 | 162.9 | 88.1 | 0 | 0 | 0 | 0 | 118.3 | N186 | C184-N186 PolarHBondContact O-N 2.75Š| ||
| 185 | G | 38 | Very low | 37 | Very low | 69 Ų | 69 | 147.2 Ų | 147.2 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | -66 | 125.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 186 | N | 38.1 | Very low | 37.6 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -161.9 | 143.2 | 137.6 | -89.2 | -38.3 | 0 | 0 | 0 | 107.4 | C184 N188 | C184-N186 PolarHBondContact O-N 2.75Å; N186-N188 PolarHBondContact O-N 2.95Å | ||
| 187 | L | 37.8 | Very low | 39.1 | Very low | 176 Ų | 176 | 136.9 Ų | 136.9 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -46.4 | 111 | -175.3 | -78.3 | 140.9 | 0 | 0 | 0 | 112.1 | H189 | L187-H189 PolarHBondContact O-N 2.82Å; L187-H189 VanDerWaalsContact O-N 3.11Å | ||
| 188 | N | 37.3 | Very low | 41.3 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | trans | -61.7 | 112.4 | 175.2 | -73.7 | -26.9 | 0 | 0 | 0 | 109.9 | N186 F190 | N186-N188 PolarHBondContact O-N 2.95Å; N188-F190 HydrophobicContact CB-CD2 4.13Å; N188-F190 HydrophobicContact CB-CE1 4.19Å; N188-F190 HydrophobicContact CB-CE2 3.61Å; N188-F190 HydrophobicContact CB-CZ 3.65Å; N188-F190 WeakPolarHBondContact O-CD2 3.4Å; N188-F190 PolarHBondContact O-N 3.1Å | ||
| 189 | H | 35.7 | Very low | 44.2 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 75% | 0.745 | 64% | 0.643 | S | S | * | * | trans | -80.9 | 99.8 | 161.6 | -128.8 | 71.8 | 0 | 0 | 0 | 107.1 | L187 F191 | L187-H189 PolarHBondContact O-N 2.82Å; L187-H189 VanDerWaalsContact O-N 3.11Å; H189-F191 HydrophobicContact CB-CE2 4.28Å; H189-F191 AromaticContact CD2-CZ 3.92Å; H189-F191 PolarHBondContact O-N 3.12Å | ||
| 190 | F | 43.3 | Very low | 47.3 | Very low | 168 Ų | 168 | 118.3 Ų | 118.3 | 74% | 0.737 | 61% | 0.606 | S | S | * | * | trans | -74.3 | 115.1 | 176.3 | -63.6 | -84.6 | 0 | 0 | 0 | 109.6 | N188 | N188-F190 HydrophobicContact CB-CD2 4.13Å; N188-F190 HydrophobicContact CB-CE1 4.19Å; N188-F190 HydrophobicContact CB-CE2 3.61Å; N188-F190 HydrophobicContact CB-CZ 3.65Å; N188-F190 WeakPolarHBondContact O-CD2 3.4Å; N188-F190 PolarHBondContact O-N 3.1Å | ||
| 191 | F | 33.5 | Very low | 50.3 | Low | 178 Ų | 178 | 111.3 Ų | 111.3 | 78% | 0.781 | 57% | 0.569 | S | S | * | * | trans | -98.5 | 112.2 | 166.7 | -70.2 | -79.7 | 0 | 0 | 0 | 108.6 | H189 | H189-F191 HydrophobicContact CB-CE2 4.28Å; H189-F191 AromaticContact CD2-CZ 3.92Å; H189-F191 PolarHBondContact O-N 3.12Å | ||
| 192 | L | 39.6 | Very low | 53.3 | Low | 162 Ų | 162 | 105.8 Ų | 105.8 | 85% | 0.848 | 54% | 0.535 | S | S | * | . | trans | -129.2 | 115.3 | 165.6 | -77.5 | 169.2 | 0 | 0 | 0 | 108.4 | ||||
| 193 | Q | 37.6 | Very low | 56.4 | Low | 163 Ų | 163 | 97.2 Ų | 97.2 | 76% | 0.762 | 50% | 0.498 | S | S | * | . | trans | -89.6 | 129.5 | 173 | -78.9 | -177.1 | -6.6 | 0 | 0 | 109.2 | ||||
| 194 | E | 44.4 | Very low | 59.4 | Low | 122 Ų | 122 | 89.1 Ų | 89.1 | 57% | 0.57 | 46% | 0.46 | S | S | * | . | S | Bend | trans | 87.5 | 150 | 155.2 | -58.4 | -177 | 174.8 | 0 | 0 | 119.6 | ||
| 195 | A | 47.2 | Very low | 62.5 | Low | 2 Ų | 2 | 83.2 Ų | 83.2 | 2% | 0.017 | 42% | 0.42 | C | S | . | . | trans | -65.9 | 139.9 | -134.3 | 0 | 0 | 0 | 0 | 0 | 116 | F171 V172 Q173 | F171-A195 CarbonylContact C-O 3.38Å; F171-A195 CarbonylContact O-C 3.53Å; F171-A195 VanDerWaalsContact O-CB 3.31Å; F171-A195 WeakPolarHBondContact O-CB 3.43Å; V172-A195 WeakPolarHBondContact CA-O 3.49Å; Q173-A195 PolarHBondContact N-O 3.25Å | ||
| 196 | P | 51.3 | Low | 65.3 | Low | 52 Ų | 52 | 80 Ų | 80 | 34% | 0.338 | 39% | 0.388 | S | S | . | . | trans | -93 | 161 | 173.5 | 33.7 | -31 | 0 | 0 | 0 | 112 | ||||
| 197 | E | 66.1 | Low | 68.1 | Low | 87 Ų | 87 | 73 Ų | 73 | 41% | 0.407 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -42.3 | 149.9 | 156.3 | -59.9 | -175.1 | 176.3 | 0 | 0 | 110 | V172 A199 N231 | V172-E197 HydrophobicContact CG1-CG 3.58Å; V172-E197 HydrophobicContact CG2-CG 4.43Å; E197-A199 PolarHBondContact O-N 2.87Å; E197-N231 PolarHBondContact OE2-ND2 3.31Å |
| 198 | R | 81.8 | Confident | 71 | Confident | 121 Ų | 121 | 64.6 Ų | 64.6 | 46% | 0.457 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 14.3 | 174 | -45 | 164.9 | -174.9 | -176 | -1.8 | 116.2 | T120 V200 N231 | T120-R198 WeakPolarHBondContact CB-O 3.44Å; T120-R198 VanDerWaalsContact CG2-O 3.26Å; T120-R198 WeakPolarHBondContact CG2-O 3.5Å; R198-V200 PolarHBondContact O-N 3.21Å; R198-N231 WeakPolarHBondContact CA-O 3.4Å; R198-N231 PolarHBondContact N-O 3.25Å |
| 199 | A | 92.7 | Very high | 73.7 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -53.6 | 138 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T122 Y124 E197 L232 Y233 | T122-A199 HydrophobicContact CG2-CB 3.99Å; Y124-A199 HydrophobicContact CD2-CB 4.07Å; Y124-A199 HydrophobicContact CE2-CB 3.95Å; E197-A199 PolarHBondContact O-N 2.87Å; A199-L232 HydrophobicContact CB-CD2 4.02Å; A199-Y233 PolarHBondContact O-N 3.33Å | ||
| 200 | V | 96.1 | Very high | 76.5 | Confident | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 131.6 | 179 | 177.8 | 0 | 0 | 0 | 0 | 109.5 | L111 V114 T120 T122 A123 Y124 Y142 R198 V202 Y233 F235 | L111-V200 HydrophobicContact CD2-CG1 3.94Å; V114-V200 HydrophobicContact CB-CG2 4.14Å; V114-V200 HydrophobicContact CG1-CG2 3.35Å; T120-V200 HydrophobicContact CG2-CG2 3.7Å; T122-V200 PolarHBondContact O-N 3.04Å; A123-V200 CarbonylContact C-O 3.51Å; A123-V200 VanDerWaalsContact CA-O 3.31Å; A123-V200 WeakPolarHBondContact CA-O 3.34Å; A123-V200 HydrophobicContact CB-CB 4.49Å; Y124-V200 PolarHBondContact N-O 3.17Å; Y142-V200 HydrophobicContact CE1-CG2 4.29Å; R198-V200 PolarHBondContact O-N 3.21Å; V200-V202 HydrophobicContact CG1-CG2 4.29Å; V200-Y233 CarbonylContact C-O 3.31Å; V200-Y233 WeakPolarHBondContact CA-O 3.24Å; V200-Y233 HydrophobicContact CG2-CD1 4.07Å; V200-F235 HydrophobicContact CG1-CB 3.63Å; V200-F235 HydrophobicContact CG1-CG 4.44Å |
| 201 | V | 97.4 | Very high | 79 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.5 | 171.6 | -171.3 | 0 | 0 | 0 | 0 | 108.5 | Y148 L167 L203 L232 Y233 F235 | Y148-V201 HydrophobicContact CE1-CG1 4Å; L167-V201 HydrophobicContact CD1-CG1 4.29Å; L167-V201 HydrophobicContact CD2-CG1 4Å; L167-V201 HydrophobicContact CD2-CG2 4.13Å; V201-L203 HydrophobicContact CG1-CD2 3.75Å; V201-L203 HydrophobicContact CG1-CG 4.05Å; V201-L203 PolarHBondContact O-N 3.33Å; V201-L232 HydrophobicContact CG2-CB 4.09Å; V201-L232 HydrophobicContact CG2-CD1 3.97Å; V201-L232 HydrophobicContact CG2-CG 4.47Å; V201-Y233 PolarHBondContact N-O 2.94Å; V201-F235 PolarHBondContact O-N 3.42Å |
| 202 | V | 98.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.6 | 177.4 | -176.6 | 0 | 0 | 0 | 0 | 109.4 | L111 Y124 I125 Y148 V200 F235 | L111-V202 HydrophobicContact CD2-CG2 4.24Å; Y124-V202 PolarHBondContact O-N 3.09Å; I125-V202 HydrophobicContact CG2-CB 4.03Å; I125-V202 HydrophobicContact CG2-CG2 3.96Å; Y148-V202 PolarHBondContact OH-O 3.37Å; V200-V202 HydrophobicContact CG1-CG2 4.29Å; V202-F235 CarbonylContact C-O 3.46Å; V202-F235 VanDerWaalsContact CA-O 3.28Å; V202-F235 WeakPolarHBondContact CA-O 3.49Å |
| 203 | L | 98.7 | Very high | 84.6 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.8 | -173.7 | -62.5 | 168.7 | 0 | 0 | 0 | 109.8 | M163 V201 A205 W220 L223 I227 P234 F235 F236 D237 | M163-L203 HydrophobicContact CE-CD2 3.84Å; V201-L203 HydrophobicContact CG1-CD2 3.75Å; V201-L203 HydrophobicContact CG1-CG 4.05Å; V201-L203 PolarHBondContact O-N 3.33Å; L203-A205 PolarHBondContact O-N 3.21Å; L203-W220 HydrophobicContact CB-CH2 4.25Å; L203-W220 HydrophobicContact CB-CZ3 4.39Å; L203-W220 HydrophobicContact CD1-CZ3 4.2Å; L203-W220 HydrophobicContact CD2-CZ3 4.41Å; L203-L223 HydrophobicContact CD1-CD2 4.32Å; L203-L223 HydrophobicContact CD2-CD2 3.89Å; L203-I227 HydrophobicContact CD1-CD1 3.92Å; L203-P234 HydrophobicContact CD1-CB 3.89Å; L203-F235 PolarHBondContact N-O 2.89Å; L203-F236 HydrophobicContact CB-CD1 3.84Å; L203-F236 HydrophobicContact CB-CE1 3.99Å; L203-F236 HydrophobicContact CD1-CD1 4.47Å; L203-F236 HydrophobicContact CD1-CE1 3.92Å; L203-F236 HydrophobicContact CD1-CZ 4.1Å; L203-F236 CarbonylContact O-C 3.55Å; L203-F236 VanDerWaalsContact O-CA 3.25Å; L203-F236 WeakPolarHBondContact O-CA 3.26Å; L203-D237 PolarHBondContact O-N 3.39Å |
| 204 | H | 98.6 | Very high | 87.4 | Confident | 6 Ų | 6 | 23 Ų | 23 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 118 | 171.1 | -63.5 | -133.1 | 0 | 0 | 0 | 107.1 | T129 H133 H208 N209 W220 D237 | T129-H204 PolarHBondContact OG1-NE2 2.89Å; H133-H204 AromaticContact CE1-CE1 3.64Å; H133-H204 AromaticContact CE1-NE2 3.24Å; H133-H204 PolarHBondContact CE1-NE2 2.93Å; H133-H204 AromaticContact ND1-NE2 3.66Å; H204-H208 HydrophobicContact CB-CB 4.15Å; H204-H208 AromaticContact CD2-CD2 3.66Å; H204-H208 AromaticContact CD2-NE2 3.9Å; H204-H208 AromaticContact CG-CD2 3.6Å; H204-H208 AromaticContact NE2-NE2 3.94Å; H204-N209 PolarHBondContact CE1-N 3.04Å; H204-N209 PolarHBondContact CE1-O 2.88Å; H204-N209 PolarHBondContact ND1-N 3.31Å; H204-W220 WeakPolarHBondContact O-CH2 3.32Å; H204-W220 WeakPolarHBondContact O-CZ2 3.48Å; H204-D237 WeakPolarHBondContact CA-O 3.45Å |
| 205 | A | 98.3 | Very high | 90 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.033 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -70.5 | -34.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L203 F236 D237 I238 P255 | L203-A205 PolarHBondContact O-N 3.21Å; A205-F236 HydrophobicContact CB-CB 4.49Å; A205-F236 HydrophobicContact CB-CD1 4.02Å; A205-D237 PolarHBondContact N-O 3.09Å; A205-I238 HydrophobicContact CB-CB 3.84Å; A205-I238 HydrophobicContact CB-CD1 3.97Å; A205-I238 HydrophobicContact CB-CG1 3.75Å; A205-P255 HydrophobicContact CB-CG 4.27Å |
| 206 | C | 98 | Very high | 92.3 | Very high | 3 Ų | 3 | 20 Ų | 20 | 2% | 0.02 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -153.8 | 159.7 | 173.1 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | H208 D214 A244 D251 | C206-H208 PolarHBondContact O-N 3.13Å; C206-D214 WeakPolarHBondContact CA-OD2 3.49Å; C206-A244 HydrophobicContact CB-CB 4.16Å; C206-D251 HydrophobicContact CB-CB 4.01Å; C206-D251 WeakPolarHBondContact CB-O 3.26Å |
| 207 | A | 96.9 | Very high | 94.5 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 3% | 0.025 | 11% | 0.109 | C | C | . | . | S | Bend | trans | 41.2 | 62.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | N209 D214 Y240 A244 I372 | A207-N209 PolarHBondContact O-N 3.18Å; A207-D214 WeakPolarHBondContact CA-OD1 3.39Å; A207-D214 PolarHBondContact N-OD1 3.17Å; A207-D214 PolarHBondContact N-OD2 3.46Å; A207-Y240 HydrophobicContact CB-CD1 4.45Å; A207-Y240 HydrophobicContact CB-CD2 3.69Å; A207-Y240 HydrophobicContact CB-CE2 4.37Å; A207-Y240 HydrophobicContact CB-CG 3.75Å; A207-Y240 WeakPolarHBondContact O-CD2 3.46Å; A207-Y240 WeakPolarHBondContact O-CE2 3.28Å; A207-A244 HydrophobicContact CB-CB 3.59Å; A207-I372 HydrophobicContact CB-CG1 4.28Å |
| 208 | H | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | trans | -43.2 | 127.3 | 178.9 | 179.1 | -78.3 | 0 | 0 | 0 | 112.1 | S126 P128 Y150 H204 C206 P210 T211 G212 M213 D214 | S126-H208 WeakPolarHBondContact CB-NE2 3.36Å; S126-H208 PolarHBondContact OG-NE2 2.92Å; P128-H208 PolarHBondContact O-CE1 2.74Å; Y150-H208 AromaticContact CD1-CD2 3.64Å; Y150-H208 AromaticContact CD1-CE1 3.64Å; Y150-H208 AromaticContact CD1-CG 3.85Å; Y150-H208 AromaticContact CD1-ND1 3.87Å; Y150-H208 AromaticContact CD1-NE2 3.5Å; Y150-H208 HydrophobicContact CE1-CB 3.77Å; Y150-H208 AromaticContact CE1-CD2 3.26Å; Y150-H208 WeakPolarHBondContact CE1-CD2 3.3Å; Y150-H208 AromaticContact CE1-CE1 3.89Å; Y150-H208 AromaticContact CE1-CG 3.28Å; Y150-H208 AromaticContact CE1-ND1 3.72Å; Y150-H208 AromaticContact CE1-NE2 3.67Å; Y150-H208 AromaticContact CG-NE2 3.9Å; Y150-H208 AromaticContact CZ-CD2 3.48Å; Y150-H208 VanDerWaalsContact CZ-CD2 3.48Å; Y150-H208 AromaticContact CZ-CG 3.81Å; H204-H208 HydrophobicContact CB-CB 4.15Å; H204-H208 AromaticContact CD2-CD2 3.66Å; H204-H208 AromaticContact CD2-NE2 3.9Å; H204-H208 AromaticContact CG-CD2 3.6Å; H204-H208 AromaticContact NE2-NE2 3.94Å; C206-H208 PolarHBondContact O-N 3.13Å; H208-P210 CarbonylContact O-C 3.55Å; H208-T211 WeakPolarHBondContact CB-OG1 3.27Å; H208-T211 PolarHBondContact ND1-N 2.7Å; H208-T211 PolarHBondContact ND1-OG1 2.68Å; H208-T211 PolarHBondContact O-N 3.22Å; H208-G212 WeakPolarHBondContact O-CA 3.49Å; H208-G212 PolarHBondContact O-N 2.75Å; H208-M213 VanDerWaalsContact CB-O 3.23Å; H208-M213 WeakPolarHBondContact CB-O 3.33Å; H208-D214 PolarHBondContact N-OD1 2.87Å | ||
| 209 | N | 94.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 17.2 Ų | 17.2 | 5% | 0.053 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | 118.5 | 178.2 | -178.9 | 6.6 | 0 | 0 | 0 | 109.7 | T129 W130 H204 A207 Y240 F375 | T129-N209 CarbonylContact C-O 3.53Å; T129-N209 VanDerWaalsContact C-O 3.22Å; T129-N209 WeakPolarHBondContact CA-O 3.35Å; W130-N209 HydrophobicContact CB-CB 4.35Å; W130-N209 PolarHBondContact N-O 2.96Å; H204-N209 PolarHBondContact CE1-N 3.04Å; H204-N209 PolarHBondContact CE1-O 2.88Å; H204-N209 PolarHBondContact ND1-N 3.31Å; A207-N209 PolarHBondContact O-N 3.18Å; N209-Y240 HydrophobicContact CB-CE2 4.41Å; N209-F375 HydrophobicContact CB-CD2 4.48Å |
| 210 | P | 94 | Very high | 97.1 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.026 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -99.9 | -2.1 | 18 | 37.9 | -38.4 | 0 | 0 | 0 | 116.9 | P128 H208 G212 F377 R401 | P128-P210 HydrophobicContact CB-CG 3.83Å; P128-P210 HydrophobicContact CG-CG 3.59Å; H208-P210 CarbonylContact O-C 3.55Å; P210-G212 PolarHBondContact O-N 3.21Å; P210-F377 HydrophobicContact CB-CD2 4.27Å; P210-F377 HydrophobicContact CG-CD2 4.19Å; P210-F377 HydrophobicContact CG-CE2 4.29Å; P210-R401 HydrophobicContact CB-CB 4.08Å; P210-R401 HydrophobicContact CB-CG 3.65Å |
| 211 | T | 95.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -31.9 | -163.7 | 66.7 | 0 | 0 | 0 | 0 | 114.3 | P128 Y150 W151 H208 M213 Q371 | P128-T211 HydrophobicContact CG-CG2 4.03Å; Y150-T211 HydrophobicContact CD1-CG2 4.2Å; W151-T211 HydrophobicContact CB-CG2 4.13Å; W151-T211 HydrophobicContact CD2-CG2 4.17Å; W151-T211 HydrophobicContact CE3-CG2 3.78Å; W151-T211 HydrophobicContact CG-CG2 4.35Å; H208-T211 WeakPolarHBondContact CB-OG1 3.27Å; H208-T211 PolarHBondContact ND1-N 2.7Å; H208-T211 PolarHBondContact ND1-OG1 2.68Å; H208-T211 PolarHBondContact O-N 3.22Å; T211-M213 PolarHBondContact O-N 3.04Å; T211-M213 PolarHBondContact OG1-N 3.2Å; T211-Q371 WeakPolarHBondContact O-CG 3.48Å; T211-Q371 PolarHBondContact O-NE2 3.14Å; T211-Q371 VanDerWaalsContact O-NE2 3.12Å; T211-Q371 PolarHBondContact O-OE1 3.15Å |
| 212 | G | 95.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 2% | 0.021 | 14% | 0.143 | C | C | . | . | trans | 70.6 | 4.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | H208 P210 Q371 I372 | H208-G212 WeakPolarHBondContact O-CA 3.49Å; H208-G212 PolarHBondContact O-N 2.75Å; P210-G212 PolarHBondContact O-N 3.21Å; G212-Q371 CarbonylContact O-C 3.55Å; G212-Q371 VanDerWaalsContact O-CA 3.27Å; G212-Q371 WeakPolarHBondContact O-CA 3.35Å; G212-I372 WeakPolarHBondContact CA-O 3.37Å; G212-I372 PolarHBondContact O-N 3.41Å | ||
| 213 | M | 95.7 | Very high | 97.2 | Very high | 25 Ų | 25 | 26.6 Ų | 26.6 | 12% | 0.123 | 14% | 0.143 | C | C | . | . | trans | -102 | 131.8 | -178.3 | -67.2 | -64.7 | -73.4 | 0 | 0 | 110.1 | Y150 W151 I158 H208 T211 D370 Q371 | Y150-M213 PolarHBondContact OH-O 2.91Å; W151-M213 HydrophobicContact CZ3-CG 3.86Å; I158-M213 HydrophobicContact CD1-CB 3.85Å; I158-M213 HydrophobicContact CG1-CB 3.62Å; I158-M213 HydrophobicContact CG1-CG 4.46Å; H208-M213 VanDerWaalsContact CB-O 3.23Å; H208-M213 WeakPolarHBondContact CB-O 3.33Å; T211-M213 PolarHBondContact O-N 3.04Å; T211-M213 PolarHBondContact OG1-N 3.2Å; M213-D370 HydrophobicContact CE-CB 4.2Å; M213-D370 HydrophobicContact SD-CB 4.09Å; M213-Q371 HydrophobicContact CG-CG 3.71Å; M213-Q371 HydrophobicContact SD-CB 4.27Å; M213-Q371 HydrophobicContact SD-CG 3.5Å; M213-Q371 WeakPolarHBondContact SD-CG 3.36Å | ||
| 214 | D | 96.9 | Very high | 97.2 | Very high | 40 Ų | 40 | 26.6 Ų | 26.6 | 21% | 0.214 | 14% | 0.143 | C | C | . | . | trans | -110.6 | 149.6 | 177.3 | -67.3 | -17.3 | 0 | 0 | 0 | 111.4 | I158 C206 A207 H208 I372 | I158-D214 WeakPolarHBondContact CD1-O 3.48Å; C206-D214 WeakPolarHBondContact CA-OD2 3.49Å; A207-D214 WeakPolarHBondContact CA-OD1 3.39Å; A207-D214 PolarHBondContact N-OD1 3.17Å; A207-D214 PolarHBondContact N-OD2 3.46Å; H208-D214 PolarHBondContact N-OD1 2.87Å; D214-I372 VanDerWaalsContact OD2-CD1 3.24Å; D214-I372 WeakPolarHBondContact OD2-CD1 3.48Å | ||
| 215 | L | 98.1 | Very high | 97.2 | Very high | 9 Ų | 9 | 30.7 Ų | 30.7 | 5% | 0.047 | 16% | 0.162 | C | C | . | . | trans | -60.9 | 142.8 | 171.3 | -59.6 | -178.7 | 0 | 0 | 0 | 109.6 | Y150 I158 F160 M163 Q219 W220 L223 | Y150-L215 HydrophobicContact CE2-CD2 4.25Å; Y150-L215 HydrophobicContact CE2-CG 4.41Å; I158-L215 HydrophobicContact CD1-CD2 3.98Å; I158-L215 HydrophobicContact CG2-CD2 3.72Å; F160-L215 HydrophobicContact CD2-CD2 3.73Å; F160-L215 HydrophobicContact CE2-CD1 4.35Å; F160-L215 HydrophobicContact CE2-CD2 4.27Å; M163-L215 HydrophobicContact CE-CD1 4.31Å; M163-L215 HydrophobicContact SD-CD1 4.12Å; M163-L215 HydrophobicContact SD-CD2 4.39Å; L215-Q219 HydrophobicContact CB-CB 3.9Å; L215-Q219 HydrophobicContact CD2-CB 4.31Å; L215-W220 HydrophobicContact CB-CD2 4.01Å; L215-W220 HydrophobicContact CB-CG 4.06Å; L215-W220 HydrophobicContact CB-CZ2 4.25Å; L215-W220 HydrophobicContact CD1-CD2 3.94Å; L215-W220 HydrophobicContact CD1-CE3 3.91Å; L215-W220 HydrophobicContact CD1-CH2 4.15Å; L215-W220 HydrophobicContact CD1-CZ2 4.19Å; L215-W220 HydrophobicContact CD1-CZ3 4.01Å; L215-W220 HydrophobicContact CG-CD2 4.47Å; L215-W220 HydrophobicContact CG-CZ2 4.31Å; L215-W220 VanDerWaalsContact O-CD1 3.25Å; L215-W220 PolarHBondContact O-NE1 2.96Å; L215-L223 HydrophobicContact CD1-CD2 3.87Å | ||
| 216 | S | 96.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 31.3 Ų | 31.3 | 36% | 0.357 | 17% | 0.165 | S | C | . | . | trans | -65.6 | 160.5 | 169.3 | 76.5 | 0 | 0 | 0 | 0 | 110.6 | S218 Q219 W220 | S216-S218 PolarHBondContact O-N 3.47Å; S216-S218 PolarHBondContact OG-OG 3.05Å; S216-Q219 WeakPolarHBondContact O-CB 3.23Å; S216-Q219 PolarHBondContact O-N 3.09Å; S216-Q219 WeakPolarHBondContact OG-CG 3.37Å; S216-Q219 PolarHBondContact OG-N 3.24Å; S216-Q219 PolarHBondContact OG-OE1 3.28Å; S216-W220 PolarHBondContact O-N 3.33Å | ||
| 217 | L | 95.8 | Very high | 96.9 | Very high | 89 Ų | 89 | 31.2 Ų | 31.2 | 47% | 0.466 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -56.7 | -36 | 175.7 | -177.8 | 61 | 0 | 0 | 0 | 112.2 | W220 K221 | L217-W220 PolarHBondContact O-N 3.2Å; L217-K221 VanDerWaalsContact O-CG 3.23Å; L217-K221 WeakPolarHBondContact O-CG 3.4Å; L217-K221 PolarHBondContact O-N 3.07Å |
| 218 | S | 98.2 | Very high | 96.8 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 49% | 0.49 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.3 | -34.3 | 177 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | S216 Q222 | S216-S218 PolarHBondContact O-N 3.47Å; S216-S218 PolarHBondContact OG-OG 3.05Å; S218-Q222 WeakPolarHBondContact O-CG 3.19Å; S218-Q222 PolarHBondContact O-N 3.08Å; S218-Q222 PolarHBondContact O-NE2 2.89Å |
| 219 | Q | 98.6 | Very high | 96.6 | Very high | 43 Ų | 43 | 39.8 Ų | 39.8 | 20% | 0.201 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -70 | -42.4 | 173.6 | -74 | 172.9 | -33.1 | 0 | 0 | 111.5 | F160 L215 S216 K221 Q222 L223 | F160-Q219 HydrophobicContact CD1-CG 3.86Å; F160-Q219 HydrophobicContact CD2-CB 3.93Å; F160-Q219 HydrophobicContact CD2-CG 3.9Å; F160-Q219 HydrophobicContact CE1-CB 4.27Å; F160-Q219 HydrophobicContact CE1-CG 3.86Å; F160-Q219 HydrophobicContact CE2-CB 3.57Å; F160-Q219 HydrophobicContact CE2-CG 3.9Å; F160-Q219 HydrophobicContact CG-CB 4.42Å; F160-Q219 HydrophobicContact CG-CG 3.88Å; F160-Q219 HydrophobicContact CZ-CB 3.76Å; F160-Q219 HydrophobicContact CZ-CG 3.88Å; L215-Q219 HydrophobicContact CB-CB 3.9Å; L215-Q219 HydrophobicContact CD2-CB 4.31Å; S216-Q219 WeakPolarHBondContact O-CB 3.23Å; S216-Q219 PolarHBondContact O-N 3.09Å; S216-Q219 WeakPolarHBondContact OG-CG 3.37Å; S216-Q219 PolarHBondContact OG-N 3.24Å; S216-Q219 PolarHBondContact OG-OE1 3.28Å; Q219-K221 VanDerWaalsContact C-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.41Å; Q219-Q222 PolarHBondContact O-N 3.41Å; Q219-L223 WeakPolarHBondContact O-CB 3.24Å; Q219-L223 PolarHBondContact O-N 2.85Å |
| 220 | W | 98.7 | Very high | 96.4 | Very high | 7 Ų | 7 | 41.9 Ų | 41.9 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.1 | -40.8 | 173.3 | -81 | 121.1 | 0 | 0 | 0 | 112.6 | L203 H204 L215 S216 L217 L223 C224 F236 A254 F258 | L203-W220 HydrophobicContact CB-CH2 4.25Å; L203-W220 HydrophobicContact CB-CZ3 4.39Å; L203-W220 HydrophobicContact CD1-CZ3 4.2Å; L203-W220 HydrophobicContact CD2-CZ3 4.41Å; H204-W220 WeakPolarHBondContact O-CH2 3.32Å; H204-W220 WeakPolarHBondContact O-CZ2 3.48Å; L215-W220 HydrophobicContact CB-CD2 4.01Å; L215-W220 HydrophobicContact CB-CG 4.06Å; L215-W220 HydrophobicContact CB-CZ2 4.25Å; L215-W220 HydrophobicContact CD1-CD2 3.94Å; L215-W220 HydrophobicContact CD1-CE3 3.91Å; L215-W220 HydrophobicContact CD1-CH2 4.15Å; L215-W220 HydrophobicContact CD1-CZ2 4.19Å; L215-W220 HydrophobicContact CD1-CZ3 4.01Å; L215-W220 HydrophobicContact CG-CD2 4.47Å; L215-W220 HydrophobicContact CG-CZ2 4.31Å; L215-W220 VanDerWaalsContact O-CD1 3.25Å; L215-W220 PolarHBondContact O-NE1 2.96Å; S216-W220 PolarHBondContact O-N 3.33Å; L217-W220 PolarHBondContact O-N 3.2Å; W220-L223 HydrophobicContact CE3-CD2 3.8Å; W220-L223 HydrophobicContact CZ3-CD2 3.61Å; W220-L223 PolarHBondContact O-N 2.9Å; W220-C224 WeakPolarHBondContact O-CB 3.42Å; W220-C224 PolarHBondContact O-N 3.23Å; W220-F236 HydrophobicContact CH2-CE1 4.29Å; W220-F236 HydrophobicContact CZ3-CE1 4.02Å; W220-A254 HydrophobicContact CD2-CB 3.49Å; W220-A254 VanDerWaalsContact CD2-CB 3.49Å; W220-A254 VanDerWaalsContact CE2-CB 3.46Å; W220-A254 HydrophobicContact CE3-CB 3.99Å; W220-A254 HydrophobicContact CG-CB 3.76Å; W220-A254 HydrophobicContact CH2-CB 4.44Å; W220-A254 HydrophobicContact CZ2-CB 3.97Å; W220-A254 HydrophobicContact CZ3-CB 4.44Å; W220-F258 HydrophobicContact CE3-CE2 4.1Å; W220-F258 HydrophobicContact CE3-CZ 4.47Å |
| 221 | K | 98.6 | Very high | 96.2 | Very high | 89 Ų | 89 | 45.3 Ų | 45.3 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61 | -48 | 174.9 | -71.2 | 175.2 | 176.2 | -178.8 | 0 | 112 | L217 Q219 L223 C224 E225 Y257 | L217-K221 VanDerWaalsContact O-CG 3.23Å; L217-K221 WeakPolarHBondContact O-CG 3.4Å; L217-K221 PolarHBondContact O-N 3.07Å; Q219-K221 VanDerWaalsContact C-N 3.3Å; Q219-K221 PolarHBondContact O-N 3.41Å; K221-L223 VanDerWaalsContact C-N 3.31Å; K221-L223 PolarHBondContact O-N 2.89Å; K221-C224 WeakPolarHBondContact O-CB 3.44Å; K221-C224 PolarHBondContact O-N 3.38Å; K221-E225 PolarHBondContact O-N 3.21Å; K221-E225 VanDerWaalsContact O-N 3.1Å; K221-Y257 HydrophobicContact CB-CE1 4.21Å; K221-Y257 HydrophobicContact CD-CE2 4.28Å; K221-Y257 HydrophobicContact CG-CD1 4.31Å; K221-Y257 HydrophobicContact CG-CD2 4.31Å; K221-Y257 HydrophobicContact CG-CE1 3.79Å; K221-Y257 HydrophobicContact CG-CE2 3.8Å |
| 222 | Q | 98.6 | Very high | 96.1 | Very high | 102 Ų | 102 | 46 Ų | 46 | 48% | 0.477 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 176.8 | -74 | 174.8 | 68.5 | 0 | 0 | 112.2 | F160 M164 S218 Q219 E225 L226 | F160-Q222 HydrophobicContact CE1-CB 4.46Å; F160-Q222 HydrophobicContact CZ-CB 3.96Å; M164-Q222 HydrophobicContact CE-CB 4.27Å; S218-Q222 WeakPolarHBondContact O-CG 3.19Å; S218-Q222 PolarHBondContact O-N 3.08Å; S218-Q222 PolarHBondContact O-NE2 2.89Å; Q219-Q222 PolarHBondContact O-N 3.41Å; Q222-E225 PolarHBondContact O-N 3.06Å; Q222-L226 PolarHBondContact O-N 3.13Å |
| 223 | L | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 176.1 | 179.4 | 61 | 0 | 0 | 0 | 112 | M163 M164 L167 L203 L215 Q219 W220 K221 E225 L226 I227 F258 | M163-L223 HydrophobicContact CE-CD1 3.85Å; M163-L223 HydrophobicContact CE-CD2 3.39Å; M163-L223 HydrophobicContact CE-CG 4.26Å; M164-L223 HydrophobicContact SD-CB 4.38Å; M164-L223 HydrophobicContact SD-CD1 4.05Å; L167-L223 HydrophobicContact CD1-CD1 3.62Å; L203-L223 HydrophobicContact CD1-CD2 4.32Å; L203-L223 HydrophobicContact CD2-CD2 3.89Å; L215-L223 HydrophobicContact CD1-CD2 3.87Å; Q219-L223 WeakPolarHBondContact O-CB 3.24Å; Q219-L223 PolarHBondContact O-N 2.85Å; W220-L223 HydrophobicContact CE3-CD2 3.8Å; W220-L223 HydrophobicContact CZ3-CD2 3.61Å; W220-L223 PolarHBondContact O-N 2.9Å; K221-L223 VanDerWaalsContact C-N 3.31Å; K221-L223 PolarHBondContact O-N 2.89Å; L223-E225 VanDerWaalsContact C-N 3.33Å; L223-E225 PolarHBondContact O-N 3.47Å; L223-L226 PolarHBondContact O-N 3.34Å; L223-I227 HydrophobicContact CD1-CD1 4.03Å; L223-I227 HydrophobicContact CD1-CG1 4.2Å; L223-I227 HydrophobicContact CD2-CD1 4.49Å; L223-I227 HydrophobicContact CG-CD1 3.88Å; L223-I227 HydrophobicContact CG-CG1 4.44Å; L223-I227 WeakPolarHBondContact O-CB 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.45Å; L223-I227 PolarHBondContact O-N 3.31Å; L223-F258 HydrophobicContact CG-CZ 4.5Å |
| 224 | C | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.1 | -45.3 | 175.3 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | W220 K221 I227 K228 Y257 F258 | W220-C224 WeakPolarHBondContact O-CB 3.42Å; W220-C224 PolarHBondContact O-N 3.23Å; K221-C224 WeakPolarHBondContact O-CB 3.44Å; K221-C224 PolarHBondContact O-N 3.38Å; C224-I227 PolarHBondContact O-N 2.77Å; C224-K228 WeakPolarHBondContact O-CG 3.48Å; C224-K228 PolarHBondContact O-N 2.68Å; C224-Y257 HydrophobicContact CB-CD1 4.07Å; C224-Y257 HydrophobicContact CB-CE1 3.68Å; C224-F258 HydrophobicContact CB-CD2 4.05Å; C224-F258 HydrophobicContact CB-CE1 4.15Å; C224-F258 HydrophobicContact CB-CE2 3.58Å; C224-F258 HydrophobicContact CB-CZ 3.64Å |
| 225 | E | 97.8 | Very high | 96.4 | Very high | 92 Ų | 92 | 44.1 Ų | 44.1 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | 177 | -67.7 | -53 | 126.4 | 0 | 0 | 112.1 | K221 Q222 L223 K228 A229 | K221-E225 PolarHBondContact O-N 3.21Å; K221-E225 VanDerWaalsContact O-N 3.1Å; Q222-E225 PolarHBondContact O-N 3.06Å; L223-E225 VanDerWaalsContact C-N 3.33Å; L223-E225 PolarHBondContact O-N 3.47Å; E225-K228 PolarHBondContact O-N 3.42Å; E225-K228 IonicContact OE1-NZ 2.81Å; E225-K228 IonicContact OE2-NZ 3.78Å; E225-A229 VanDerWaalsContact O-CB 3.29Å; E225-A229 WeakPolarHBondContact O-CB 3.38Å; E225-A229 PolarHBondContact O-N 2.79Å |
| 226 | L | 95.9 | Very high | 96.4 | Very high | 17 Ų | 17 | 43.7 Ų | 43.7 | 9% | 0.089 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.8 | -45.7 | 174 | 176.1 | 62.9 | 0 | 0 | 0 | 111.8 | M164 L167 K168 Q222 L223 K228 A229 K230 | M164-L226 HydrophobicContact CE-CB 3.74Å; M164-L226 HydrophobicContact CE-CD2 3.62Å; M164-L226 HydrophobicContact CE-CG 4.28Å; M164-L226 HydrophobicContact SD-CD2 3.81Å; L167-L226 HydrophobicContact CB-CD2 3.76Å; K168-L226 HydrophobicContact CG-CD1 3.44Å; K168-L226 VanDerWaalsContact CG-CD1 3.44Å; K168-L226 HydrophobicContact CG-CD2 3.95Å; K168-L226 HydrophobicContact CG-CG 4.37Å; Q222-L226 PolarHBondContact O-N 3.13Å; L223-L226 PolarHBondContact O-N 3.34Å; L226-K228 VanDerWaalsContact C-N 3.31Å; L226-K228 PolarHBondContact O-N 3.08Å; L226-A229 PolarHBondContact O-N 3.44Å; L226-K230 HydrophobicContact CD1-CG 3.7Å; L226-K230 HydrophobicContact CG-CG 4.43Å; L226-K230 VanDerWaalsContact O-CB 3.32Å; L226-K230 WeakPolarHBondContact O-CB 3.26Å; L226-K230 WeakPolarHBondContact O-CG 3.34Å; L226-K230 PolarHBondContact O-N 3.46Å |
| 227 | I | 95.4 | Very high | 96.5 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 179.6 | -78.8 | 173.3 | 0 | 0 | 0 | 110.7 | L203 L223 C224 N231 L232 P234 F258 V263 | L203-I227 HydrophobicContact CD1-CD1 3.92Å; L223-I227 HydrophobicContact CD1-CD1 4.03Å; L223-I227 HydrophobicContact CD1-CG1 4.2Å; L223-I227 HydrophobicContact CD2-CD1 4.49Å; L223-I227 HydrophobicContact CG-CD1 3.88Å; L223-I227 HydrophobicContact CG-CG1 4.44Å; L223-I227 WeakPolarHBondContact O-CB 3.26Å; L223-I227 WeakPolarHBondContact O-CG1 3.45Å; L223-I227 PolarHBondContact O-N 3.31Å; C224-I227 PolarHBondContact O-N 2.77Å; I227-N231 WeakPolarHBondContact O-CA 3.16Å; I227-N231 PolarHBondContact O-N 3.43Å; I227-L232 HydrophobicContact CB-CB 4.49Å; I227-L232 HydrophobicContact CG1-CB 4.33Å; I227-L232 HydrophobicContact CG1-CD1 4.46Å; I227-L232 HydrophobicContact CG2-CB 4.21Å; I227-L232 WeakPolarHBondContact CG2-O 3.48Å; I227-L232 PolarHBondContact O-N 3.13Å; I227-P234 HydrophobicContact CD1-CB 4.24Å; I227-P234 HydrophobicContact CG2-CG 3.94Å; I227-F258 HydrophobicContact CD1-CE1 3.66Å; I227-F258 HydrophobicContact CD1-CZ 3.97Å; I227-F258 HydrophobicContact CG2-CE1 4.42Å; I227-V263 HydrophobicContact CG2-CG1 4.48Å |
| 228 | K | 94.3 | Very high | 96.6 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 43% | 0.426 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -63.4 | -50 | 174.4 | -71.6 | 169 | 64.3 | -174.3 | 0 | 111.8 | C224 E225 L226 K230 N231 V263 | C224-K228 WeakPolarHBondContact O-CG 3.48Å; C224-K228 PolarHBondContact O-N 2.68Å; E225-K228 PolarHBondContact O-N 3.42Å; E225-K228 IonicContact OE1-NZ 2.81Å; E225-K228 IonicContact OE2-NZ 3.78Å; L226-K228 VanDerWaalsContact C-N 3.31Å; L226-K228 PolarHBondContact O-N 3.08Å; K228-K230 PolarHBondContact O-N 3.42Å; K228-N231 PolarHBondContact O-N 3.1Å; K228-N231 VanDerWaalsContact O-N 3.1Å; K228-V263 HydrophobicContact CD-CG2 3.8Å; K228-V263 HydrophobicContact CG-CG2 3.71Å |
| 229 | A | 92.6 | Very high | 96.6 | Very high | 86 Ų | 86 | 34.7 Ų | 34.7 | 71% | 0.711 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -62 | -30 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | E225 L226 | E225-A229 VanDerWaalsContact O-CB 3.29Å; E225-A229 WeakPolarHBondContact O-CB 3.38Å; E225-A229 PolarHBondContact O-N 2.79Å; L226-A229 PolarHBondContact O-N 3.44Å |
| 230 | K | 90.1 | Very high | 96.5 | Very high | 55 Ų | 55 | 33 Ų | 33 | 24% | 0.239 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 2.1 | 178.6 | -70.4 | -65.6 | -155.5 | 157 | 0 | 113.8 | K168 T170 L226 K228 L232 | K168-K230 WeakPolarHBondContact O-CE 3.27Å; K168-K230 PolarHBondContact O-NZ 3.44Å; T170-K230 PolarHBondContact O-NZ 2.82Å; L226-K230 HydrophobicContact CD1-CG 3.7Å; L226-K230 HydrophobicContact CG-CG 4.43Å; L226-K230 VanDerWaalsContact O-CB 3.32Å; L226-K230 WeakPolarHBondContact O-CB 3.26Å; L226-K230 WeakPolarHBondContact O-CG 3.34Å; L226-K230 PolarHBondContact O-N 3.46Å; K228-K230 PolarHBondContact O-N 3.42Å; K230-L232 HydrophobicContact CB-CD1 3.91Å; K230-L232 HydrophobicContact CB-CD2 4.35Å; K230-L232 HydrophobicContact CB-CG 3.67Å; K230-L232 PolarHBondContact O-N 2.87Å |
| 231 | N | 90.9 | Very high | 96.5 | Very high | 76 Ų | 76 | 32.6 Ų | 32.6 | 41% | 0.406 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.5 | 41.3 | -175.5 | -162.9 | 24.4 | 0 | 0 | 0 | 112.4 | E197 R198 I227 K228 | E197-N231 PolarHBondContact OE2-ND2 3.31Å; R198-N231 WeakPolarHBondContact CA-O 3.4Å; R198-N231 PolarHBondContact N-O 3.25Å; I227-N231 WeakPolarHBondContact O-CA 3.16Å; I227-N231 PolarHBondContact O-N 3.43Å; K228-N231 PolarHBondContact O-N 3.1Å; K228-N231 VanDerWaalsContact O-N 3.1Å |
| 232 | L | 93.9 | Very high | 96.4 | Very high | 13 Ų | 13 | 28.4 Ų | 28.4 | 7% | 0.068 | 15% | 0.15 | C | C | . | . | trans | -84.1 | 154.2 | 178.7 | -60.9 | 175 | 0 | 0 | 0 | 110.1 | A199 V201 I227 K230 P234 | A199-L232 HydrophobicContact CB-CD2 4.02Å; V201-L232 HydrophobicContact CG2-CB 4.09Å; V201-L232 HydrophobicContact CG2-CD1 3.97Å; V201-L232 HydrophobicContact CG2-CG 4.47Å; I227-L232 HydrophobicContact CB-CB 4.49Å; I227-L232 HydrophobicContact CG1-CB 4.33Å; I227-L232 HydrophobicContact CG1-CD1 4.46Å; I227-L232 HydrophobicContact CG2-CB 4.21Å; I227-L232 WeakPolarHBondContact CG2-O 3.48Å; I227-L232 PolarHBondContact O-N 3.13Å; K230-L232 HydrophobicContact CB-CD1 3.91Å; K230-L232 HydrophobicContact CB-CD2 4.35Å; K230-L232 HydrophobicContact CB-CG 3.67Å; K230-L232 PolarHBondContact O-N 2.87Å; L232-P234 WeakPolarHBondContact O-CD 3.39Å | ||
| 233 | Y | 95.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 23.6 Ų | 23.6 | 11% | 0.114 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 107.5 | 177.9 | -172.8 | -100.4 | 0 | 0 | 0 | 111 | V114 A199 V200 V201 E264 S266 | V114-Y233 HydrophobicContact CG1-CD1 4.32Å; V114-Y233 HydrophobicContact CG2-CD1 3.96Å; V114-Y233 HydrophobicContact CG2-CE1 3.46Å; V114-Y233 VanDerWaalsContact CG2-CE1 3.46Å; A199-Y233 PolarHBondContact O-N 3.33Å; V200-Y233 CarbonylContact C-O 3.31Å; V200-Y233 WeakPolarHBondContact CA-O 3.24Å; V200-Y233 HydrophobicContact CG2-CD1 4.07Å; V201-Y233 PolarHBondContact N-O 2.94Å; Y233-E264 HydrophobicContact CE2-CB 4.47Å; Y233-S266 PolarHBondContact OH-N 2.96Å; Y233-S266 VanDerWaalsContact OH-N 3.1Å; Y233-S266 PolarHBondContact OH-OG 3.16Å |
| 234 | P | 97.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 134.3 | 175.6 | 17.4 | -14.3 | 0 | 0 | 0 | 111.3 | L203 I227 L232 F236 F258 V263 E264 F265 S266 | L203-P234 HydrophobicContact CD1-CB 3.89Å; I227-P234 HydrophobicContact CD1-CB 4.24Å; I227-P234 HydrophobicContact CG2-CG 3.94Å; L232-P234 WeakPolarHBondContact O-CD 3.39Å; P234-F236 HydrophobicContact CB-CE2 3.97Å; P234-F236 HydrophobicContact CB-CZ 4.38Å; P234-F258 HydrophobicContact CB-CD1 4.27Å; P234-F258 HydrophobicContact CB-CE1 4.11Å; P234-F258 HydrophobicContact CG-CD1 3.86Å; P234-F258 HydrophobicContact CG-CE1 3.97Å; P234-V263 HydrophobicContact CG-CG1 3.73Å; P234-E264 WeakPolarHBondContact CD-O 3.26Å; P234-F265 HydrophobicContact CB-CB 4.25Å; P234-F265 HydrophobicContact CG-CB 3.8Å; P234-F265 WeakPolarHBondContact O-CA 3.32Å; P234-F265 VanDerWaalsContact O-CB 3.28Å; P234-F265 WeakPolarHBondContact O-CB 3.44Å; P234-S266 PolarHBondContact O-N 3.4Å |
| 235 | F | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 108.1 | 170.2 | -165.4 | -63.4 | 0 | 0 | 0 | 108.8 | L107 L111 V200 V201 V202 L203 S266 A268 L285 | L107-F235 HydrophobicContact CD2-CD1 4.05Å; L107-F235 HydrophobicContact CD2-CE1 3.56Å; L107-F235 HydrophobicContact CD2-CZ 4.42Å; L107-F235 HydrophobicContact CG-CE1 4.48Å; L111-F235 HydrophobicContact CD2-CD2 3.73Å; L111-F235 HydrophobicContact CD2-CE2 4.08Å; L111-F235 HydrophobicContact CD2-CG 4.04Å; L111-F235 HydrophobicContact CG-CD2 4.2Å; L111-F235 HydrophobicContact CG-CE2 4.04Å; L111-F235 HydrophobicContact CG-CZ 4.29Å; V200-F235 HydrophobicContact CG1-CB 3.63Å; V200-F235 HydrophobicContact CG1-CG 4.44Å; V201-F235 PolarHBondContact O-N 3.42Å; V202-F235 CarbonylContact C-O 3.46Å; V202-F235 VanDerWaalsContact CA-O 3.28Å; V202-F235 WeakPolarHBondContact CA-O 3.49Å; L203-F235 PolarHBondContact N-O 2.89Å; F235-S266 CarbonylContact C-O 3.49Å; F235-S266 WeakPolarHBondContact CA-O 3.45Å; F235-S266 VanDerWaalsContact CD2-CB 3.42Å; F235-A268 HydrophobicContact CE1-CB 3.81Å; F235-A268 HydrophobicContact CZ-CB 4.34Å; F235-L285 HydrophobicContact CE2-CD1 4.43Å; F235-L285 HydrophobicContact CZ-CD1 3.96Å |
| 236 | F | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 131.5 | -178.8 | -69.3 | -80.6 | 0 | 0 | 0 | 111.9 | L203 A205 W220 P234 P255 F258 F265 S266 I267 A268 | L203-F236 HydrophobicContact CB-CD1 3.84Å; L203-F236 HydrophobicContact CB-CE1 3.99Å; L203-F236 HydrophobicContact CD1-CD1 4.47Å; L203-F236 HydrophobicContact CD1-CE1 3.92Å; L203-F236 HydrophobicContact CD1-CZ 4.1Å; L203-F236 CarbonylContact O-C 3.55Å; L203-F236 VanDerWaalsContact O-CA 3.25Å; L203-F236 WeakPolarHBondContact O-CA 3.26Å; A205-F236 HydrophobicContact CB-CB 4.49Å; A205-F236 HydrophobicContact CB-CD1 4.02Å; W220-F236 HydrophobicContact CH2-CE1 4.29Å; W220-F236 HydrophobicContact CZ3-CE1 4.02Å; P234-F236 HydrophobicContact CB-CE2 3.97Å; P234-F236 HydrophobicContact CB-CZ 4.38Å; F236-P255 HydrophobicContact CD2-CB 4.08Å; F236-P255 HydrophobicContact CE2-CB 4.17Å; F236-P255 HydrophobicContact CG-CB 4.25Å; F236-P255 HydrophobicContact CZ-CB 4.44Å; F236-F258 HydrophobicContact CE2-CB 4.29Å; F236-F258 HydrophobicContact CE2-CD1 4.03Å; F236-F258 HydrophobicContact CE2-CG 4.1Å; F236-F258 HydrophobicContact CZ-CB 4.34Å; F236-F258 AromaticContact CZ-CD1 3.81Å; F236-F258 HydrophobicContact CZ-CD1 3.81Å; F236-F258 AromaticContact CZ-CD2 3.93Å; F236-F258 HydrophobicContact CZ-CD2 3.93Å; F236-F258 HydrophobicContact CZ-CE1 4.01Å; F236-F258 HydrophobicContact CZ-CE2 4.12Å; F236-F258 AromaticContact CZ-CG 3.76Å; F236-F258 HydrophobicContact CZ-CG 3.76Å; F236-F258 HydrophobicContact CZ-CZ 4.16Å; F236-F265 HydrophobicContact CD2-CB 4.4Å; F236-F265 AromaticContact CD2-CD2 3.65Å; F236-F265 HydrophobicContact CD2-CD2 3.65Å; F236-F265 AromaticContact CD2-CE2 3.98Å; F236-F265 HydrophobicContact CD2-CE2 3.98Å; F236-F265 HydrophobicContact CD2-CG 4.08Å; F236-F265 HydrophobicContact CE2-CB 4.35Å; F236-F265 HydrophobicContact CE2-CD1 4.39Å; F236-F265 HydrophobicContact CE2-CD2 4.05Å; F236-F265 HydrophobicContact CE2-CE2 4.36Å; F236-F265 HydrophobicContact CE2-CG 4.06Å; F236-S266 PolarHBondContact N-O 2.99Å; F236-I267 HydrophobicContact CB-CB 3.92Å; F236-I267 HydrophobicContact CB-CD1 3.52Å; F236-I267 HydrophobicContact CB-CG1 3.52Å; F236-I267 HydrophobicContact CG-CD1 4.2Å; F236-I267 CarbonylContact O-C 3.27Å; F236-I267 VanDerWaalsContact O-CA 3.32Å; F236-I267 WeakPolarHBondContact O-CA 3.44Å; F236-A268 PolarHBondContact O-N 3.37Å |
| 237 | D | 98.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 22.9 Ų | 22.9 | 5% | 0.053 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 117.6 | 158.8 | -179 | -6.7 | 0 | 0 | 0 | 107.9 | L107 H133 L203 H204 A205 A239 | L107-D237 HydrophobicContact CD2-CB 4.29Å; H133-D237 IonicContact CE1-OD2 2.88Å; H133-D237 IonicContact NE2-OD2 3.83Å; H133-D237 PolarHBondContact NE2-OD2 2.78Å; L203-D237 PolarHBondContact O-N 3.39Å; H204-D237 WeakPolarHBondContact CA-O 3.45Å; A205-D237 PolarHBondContact N-O 3.09Å; D237-A239 WeakPolarHBondContact OD1-CB 3.23Å; D237-A239 PolarHBondContact OD1-N 3.1Å |
| 238 | I | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 57.9 | 179 | -161.8 | 175 | 0 | 0 | 0 | 111.6 | L83 A205 Y240 Q241 A252 P255 I267 A268 Q269 | L83-I238 HydrophobicContact CD1-CG2 3.83Å; A205-I238 HydrophobicContact CB-CB 3.84Å; A205-I238 HydrophobicContact CB-CD1 3.97Å; A205-I238 HydrophobicContact CB-CG1 3.75Å; I238-Y240 PolarHBondContact O-N 2.73Å; I238-Q241 HydrophobicContact CD1-CB 3.89Å; I238-Q241 HydrophobicContact CD1-CG 3.79Å; I238-Q241 HydrophobicContact CG1-CB 3.92Å; I238-Q241 HydrophobicContact CG1-CG 4.37Å; I238-A252 HydrophobicContact CD1-CB 4.11Å; I238-P255 HydrophobicContact CD1-CG 4.46Å; I238-I267 HydrophobicContact CB-CD1 4.05Å; I238-I267 HydrophobicContact CB-CG1 4.28Å; I238-I267 HydrophobicContact CD1-CD1 4.38Å; I238-I267 HydrophobicContact CG2-CD1 3.72Å; I238-I267 HydrophobicContact CG2-CG1 3.66Å; I238-A268 PolarHBondContact N-O 2.83Å; I238-Q269 HydrophobicContact CG2-CB 3.98Å; I238-Q269 HydrophobicContact CG2-CG 4.12Å |
| 239 | A | 97.6 | Very high | 96 | Very high | 11 Ų | 11 | 23.7 Ų | 23.7 | 9% | 0.091 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.8 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | D237 | D237-A239 WeakPolarHBondContact OD1-CB 3.23Å; D237-A239 PolarHBondContact OD1-N 3.1Å |
| 240 | Y | 96.9 | Very high | 96.2 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 2% | 0.024 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | 18.6 | -169.4 | -57.6 | -83.1 | 0 | 0 | 0 | 114.6 | A207 N209 I238 G242 F243 A244 K273 L374 F375 | A207-Y240 HydrophobicContact CB-CD1 4.45Å; A207-Y240 HydrophobicContact CB-CD2 3.69Å; A207-Y240 HydrophobicContact CB-CE2 4.37Å; A207-Y240 HydrophobicContact CB-CG 3.75Å; A207-Y240 WeakPolarHBondContact O-CD2 3.46Å; A207-Y240 WeakPolarHBondContact O-CE2 3.28Å; N209-Y240 HydrophobicContact CB-CE2 4.41Å; I238-Y240 PolarHBondContact O-N 2.73Å; Y240-G242 PolarHBondContact O-N 3.18Å; Y240-F243 HydrophobicContact CD1-CD1 4.01Å; Y240-F243 WeakPolarHBondContact O-CA 3.29Å; Y240-F243 WeakPolarHBondContact O-CB 3.48Å; Y240-F243 PolarHBondContact O-N 2.89Å; Y240-A244 PolarHBondContact O-N 2.92Å; Y240-K273 HydrophobicContact CD1-CB 4.19Å; Y240-K273 HydrophobicContact CD1-CG 3.9Å; Y240-K273 HydrophobicContact CE1-CD 4.21Å; Y240-K273 HydrophobicContact CE1-CG 3.79Å; Y240-L374 HydrophobicContact CE1-CB 3.91Å; Y240-F375 VanDerWaalsContact OH-CD2 3.26Å; Y240-F375 WeakPolarHBondContact OH-CD2 3.32Å; Y240-F375 WeakPolarHBondContact OH-CE2 3.39Å |
| 241 | Q | 98 | Very high | 96.6 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 125.5 | -176.9 | -159 | -173.2 | -5.5 | 0 | 0 | 112.9 | V82 I238 F243 L248 D251 A252 N274 | V82-Q241 PolarHBondContact O-NE2 3Å; I238-Q241 HydrophobicContact CD1-CB 3.89Å; I238-Q241 HydrophobicContact CD1-CG 3.79Å; I238-Q241 HydrophobicContact CG1-CB 3.92Å; I238-Q241 HydrophobicContact CG1-CG 4.37Å; Q241-F243 PolarHBondContact O-N 3.1Å; Q241-L248 HydrophobicContact CG-CD2 4.02Å; Q241-L248 PolarHBondContact NE2-O 3.44Å; Q241-D251 HydrophobicContact CG-CB 4.09Å; Q241-A252 HydrophobicContact CG-CB 4.4Å; Q241-N274 VanDerWaalsContact O-CB 3.29Å; Q241-N274 WeakPolarHBondContact O-CB 3.35Å; Q241-N274 PolarHBondContact O-ND2 2.7Å |
| 242 | G | 96.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | -24.3 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y240 G246 D251 M338 | Y240-G242 PolarHBondContact O-N 3.18Å; G242-G246 CarbonylContact O-C 3.54Å; G242-G246 WeakPolarHBondContact O-CA 3.41Å; G242-G246 PolarHBondContact O-N 3.37Å; G242-D251 VanDerWaalsContact C-OD2 3.29Å; G242-D251 WeakPolarHBondContact CA-OD2 3.44Å; G242-D251 PolarHBondContact N-OD2 3.48Å; G242-M338 VanDerWaalsContact O-CE 3.28Å; G242-M338 WeakPolarHBondContact O-CE 3.06Å |
| 243 | F | 95.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -37.2 | -176.8 | -175.2 | -89.3 | 0 | 0 | 0 | 111 | Y36 Y240 Q241 D251 K273 M338 M341 S342 V345 L374 | Y36-F243 AromaticContact CD2-CE2 3.95Å; Y36-F243 HydrophobicContact CD2-CE2 3.95Å; Y36-F243 HydrophobicContact CD2-CZ 4.09Å; Y240-F243 HydrophobicContact CD1-CD1 4.01Å; Y240-F243 WeakPolarHBondContact O-CA 3.29Å; Y240-F243 WeakPolarHBondContact O-CB 3.48Å; Y240-F243 PolarHBondContact O-N 2.89Å; Q241-F243 PolarHBondContact O-N 3.1Å; F243-D251 PolarHBondContact N-OD2 2.98Å; F243-K273 HydrophobicContact CG-CB 4.37Å; F243-M338 HydrophobicContact CB-CE 3.5Å; F243-M338 VanDerWaalsContact CB-CE 3.5Å; F243-M338 HydrophobicContact CD2-CE 4.21Å; F243-M338 HydrophobicContact CG-CE 4.34Å; F243-M341 HydrophobicContact CD2-CB 4.14Å; F243-M341 HydrophobicContact CD2-CE 4.1Å; F243-M341 HydrophobicContact CD2-SD 4.17Å; F243-M341 HydrophobicContact CE2-CB 3.75Å; F243-M341 HydrophobicContact CE2-CE 4.44Å; F243-M341 HydrophobicContact CE2-CG 4.38Å; F243-M341 HydrophobicContact CE2-SD 3.91Å; F243-S342 WeakPolarHBondContact O-CB 3.45Å; F243-V345 HydrophobicContact CE1-CG2 4.48Å; F243-V345 HydrophobicContact CZ-CG2 4.04Å; F243-L374 HydrophobicContact CE1-CB 3.79Å; F243-L374 HydrophobicContact CE1-CD1 4.21Å; F243-L374 HydrophobicContact CZ-CB 4.32Å; F243-L374 HydrophobicContact CZ-CD1 3.89Å |
| 244 | A | 95.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 18.5 Ų | 18.5 | 3% | 0.033 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -48.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111 | C206 A207 Y240 D251 I372 | C206-A244 HydrophobicContact CB-CB 4.16Å; A207-A244 HydrophobicContact CB-CB 3.59Å; Y240-A244 PolarHBondContact O-N 2.92Å; A244-D251 WeakPolarHBondContact CB-OD2 3.32Å; A244-D251 PolarHBondContact N-OD2 3.32Å; A244-D251 VanDerWaalsContact N-OD2 3.15Å; A244-I372 HydrophobicContact CB-CD1 3.78Å; A244-I372 HydrophobicContact CB-CG1 4.23Å |
| 245 | T | 95.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 18.5 Ų | 18.5 | 29% | 0.288 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -17.8 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 114.3 | S247 D251 S342 I372 | T245-S247 PolarHBondContact OG1-N 2.97Å; T245-S247 PolarHBondContact OG1-O 2.78Å; T245-D251 VanDerWaalsContact CB-OD1 3.31Å; T245-D251 WeakPolarHBondContact CB-OD1 3.23Å; T245-D251 WeakPolarHBondContact CG2-OD1 3.48Å; T245-D251 PolarHBondContact N-OD1 3.11Å; T245-D251 PolarHBondContact N-OD2 3.4Å; T245-D251 PolarHBondContact OG1-OD1 3.17Å; T245-S342 PolarHBondContact O-OG 3.36Å; T245-I372 HydrophobicContact CG2-CD1 3.75Å |
| 246 | G | 95.1 | Very high | 97.2 | Very high | 13 Ų | 13 | 19.7 Ų | 19.7 | 13% | 0.134 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 90.5 | 5.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G242 S342 | G242-G246 CarbonylContact O-C 3.54Å; G242-G246 WeakPolarHBondContact O-CA 3.41Å; G242-G246 PolarHBondContact O-N 3.37Å; G246-S342 VanDerWaalsContact CA-OG 3.3Å; G246-S342 WeakPolarHBondContact CA-OG 3.26Å; G246-S342 PolarHBondContact N-OG 2.98Å |
| 247 | S | 96.3 | Very high | 97.1 | Very high | 29 Ų | 29 | 22.8 Ų | 22.8 | 20% | 0.203 | 13% | 0.125 | C | C | . | . | trans | -130.9 | 121.6 | -176.6 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | T245 E249 D250 D251 | T245-S247 PolarHBondContact OG1-N 2.97Å; T245-S247 PolarHBondContact OG1-O 2.78Å; S247-E249 PolarHBondContact O-N 3.14Å; S247-E249 PolarHBondContact OG-N 3.22Å; S247-D250 WeakPolarHBondContact CB-OD2 3.3Å; S247-D250 VanDerWaalsContact OG-CG 3.29Å; S247-D250 PolarHBondContact OG-N 3.26Å; S247-D250 PolarHBondContact OG-OD2 3.22Å; S247-D251 WeakPolarHBondContact O-CB 3.42Å; S247-D251 PolarHBondContact O-N 3.33Å | ||
| 248 | L | 97.3 | Very high | 97.1 | Very high | 20 Ų | 20 | 22.3 Ų | 22.3 | 11% | 0.105 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -64.2 | -30.5 | 174.3 | -67.8 | 177.9 | 0 | 0 | 0 | 112.2 | V82 Q241 A252 W334 L335 | V82-L248 HydrophobicContact CG1-CD1 4.31Å; V82-L248 HydrophobicContact CG1-CD2 4.06Å; Q241-L248 HydrophobicContact CG-CD2 4.02Å; Q241-L248 PolarHBondContact NE2-O 3.44Å; L248-A252 WeakPolarHBondContact O-CB 3.29Å; L248-A252 PolarHBondContact O-N 2.82Å; L248-W334 HydrophobicContact CD1-CH2 3.93Å; L248-W334 HydrophobicContact CD1-CZ3 3.77Å; L248-W334 HydrophobicContact CD2-CH2 3.71Å; L248-W334 HydrophobicContact CD2-CZ2 4.41Å; L248-W334 HydrophobicContact CD2-CZ3 4.37Å; L248-W334 HydrophobicContact CG-CH2 4.38Å; L248-L335 HydrophobicContact CD1-CD2 3.6Å; L248-L335 HydrophobicContact CG-CD2 3.95Å |
| 249 | E | 96.6 | Very high | 97.1 | Very high | 97 Ų | 97 | 22.7 Ų | 22.7 | 45% | 0.453 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -75.4 | -48.8 | -174.3 | -57.5 | -62.4 | 105.6 | 0 | 0 | 110.6 | S247 A252 S253 R256 | S247-E249 PolarHBondContact O-N 3.14Å; S247-E249 PolarHBondContact OG-N 3.22Å; E249-A252 CarbonylContact O-C 3.47Å; E249-A252 PolarHBondContact O-N 3.04Å; E249-S253 PolarHBondContact O-N 3.39Å; E249-R256 IonicContact OE1-CZ 2.95Å; E249-R256 IonicContact OE1-NH1 3.64Å; E249-R256 PolarHBondContact OE1-NH1 3.13Å; E249-R256 IonicContact OE1-NH2 2.68Å; E249-R256 PolarHBondContact OE1-NH2 3.44Å; E249-R256 IonicContact OE2-CZ 3.26Å; E249-R256 IonicContact OE2-NH1 2.75Å; E249-R256 PolarHBondContact OE2-NH1 3.44Å; E249-R256 IonicContact OE2-NH2 2.7Å |
| 250 | D | 96.5 | Very high | 97 | Very high | 100 Ų | 100 | 27.4 Ų | 27.4 | 54% | 0.535 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -65.4 | -44.1 | -179.7 | -61 | -40.5 | 0 | 0 | 0 | 110.6 | S247 A252 S253 | S247-D250 WeakPolarHBondContact CB-OD2 3.3Å; S247-D250 VanDerWaalsContact OG-CG 3.29Å; S247-D250 PolarHBondContact OG-N 3.26Å; S247-D250 PolarHBondContact OG-OD2 3.22Å; D250-A252 PolarHBondContact O-N 3.08Å; D250-S253 VanDerWaalsContact O-CB 3.27Å; D250-S253 WeakPolarHBondContact O-CB 3.28Å; D250-S253 PolarHBondContact O-N 3.47Å; D250-S253 VanDerWaalsContact O-N 3.15Å; D250-S253 PolarHBondContact O-OG 3.01Å |
| 251 | D | 97.8 | Very high | 97 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67.3 | -21.8 | -178.9 | -70.6 | -1.5 | 0 | 0 | 0 | 113.2 | C206 Q241 G242 F243 A244 T245 S247 | C206-D251 HydrophobicContact CB-CB 4.01Å; C206-D251 WeakPolarHBondContact CB-O 3.26Å; Q241-D251 HydrophobicContact CG-CB 4.09Å; G242-D251 VanDerWaalsContact C-OD2 3.29Å; G242-D251 WeakPolarHBondContact CA-OD2 3.44Å; G242-D251 PolarHBondContact N-OD2 3.48Å; F243-D251 PolarHBondContact N-OD2 2.98Å; A244-D251 WeakPolarHBondContact CB-OD2 3.32Å; A244-D251 PolarHBondContact N-OD2 3.32Å; A244-D251 VanDerWaalsContact N-OD2 3.15Å; T245-D251 VanDerWaalsContact CB-OD1 3.31Å; T245-D251 WeakPolarHBondContact CB-OD1 3.23Å; T245-D251 WeakPolarHBondContact CG2-OD1 3.48Å; T245-D251 PolarHBondContact N-OD1 3.11Å; T245-D251 PolarHBondContact N-OD2 3.4Å; T245-D251 PolarHBondContact OG1-OD1 3.17Å; S247-D251 WeakPolarHBondContact O-CB 3.42Å; S247-D251 PolarHBondContact O-N 3.33Å |
| 252 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | 8.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L83 I238 Q241 L248 E249 D250 A254 P255 R256 | L83-A252 WeakPolarHBondContact O-CB 3.43Å; I238-A252 HydrophobicContact CD1-CB 4.11Å; Q241-A252 HydrophobicContact CG-CB 4.4Å; L248-A252 WeakPolarHBondContact O-CB 3.29Å; L248-A252 PolarHBondContact O-N 2.82Å; E249-A252 CarbonylContact O-C 3.47Å; E249-A252 PolarHBondContact O-N 3.04Å; D250-A252 PolarHBondContact O-N 3.08Å; A252-A254 VanDerWaalsContact C-N 3.29Å; A252-A254 PolarHBondContact O-N 3.41Å; A252-P255 HydrophobicContact CB-CG 4.39Å; A252-P255 VanDerWaalsContact O-CD 3.26Å; A252-P255 WeakPolarHBondContact O-CD 3.49Å; A252-P255 WeakPolarHBondContact O-CG 3.42Å; A252-R256 HydrophobicContact CB-CG 4.42Å; A252-R256 WeakPolarHBondContact O-CB 3.36Å; A252-R256 WeakPolarHBondContact O-CD 3.43Å; A252-R256 WeakPolarHBondContact O-CG 3.32Å; A252-R256 PolarHBondContact O-N 3.31Å; A252-R256 VanDerWaalsContact O-N 3.09Å |
| 253 | S | 97.8 | Very high | 96.9 | Very high | 47 Ų | 47 | 32 Ų | 32 | 33% | 0.329 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -58.7 | -38.9 | -177 | 61.3 | 0 | 0 | 0 | 0 | 112.8 | E249 D250 Y257 | E249-S253 PolarHBondContact O-N 3.39Å; D250-S253 VanDerWaalsContact O-CB 3.27Å; D250-S253 WeakPolarHBondContact O-CB 3.28Å; D250-S253 PolarHBondContact O-N 3.47Å; D250-S253 VanDerWaalsContact O-N 3.15Å; D250-S253 PolarHBondContact O-OG 3.01Å; S253-Y257 WeakPolarHBondContact O-CB 3.17Å; S253-Y257 PolarHBondContact O-N 3.18Å |
| 254 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.6 | -60.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | W220 A252 R256 Y257 F258 | W220-A254 HydrophobicContact CD2-CB 3.49Å; W220-A254 VanDerWaalsContact CD2-CB 3.49Å; W220-A254 VanDerWaalsContact CE2-CB 3.46Å; W220-A254 HydrophobicContact CE3-CB 3.99Å; W220-A254 HydrophobicContact CG-CB 3.76Å; W220-A254 HydrophobicContact CH2-CB 4.44Å; W220-A254 HydrophobicContact CZ2-CB 3.97Å; W220-A254 HydrophobicContact CZ3-CB 4.44Å; A252-A254 VanDerWaalsContact C-N 3.29Å; A252-A254 PolarHBondContact O-N 3.41Å; A254-R256 PolarHBondContact O-N 3.37Å; A254-Y257 WeakPolarHBondContact O-CB 3.35Å; A254-Y257 PolarHBondContact O-N 3.11Å; A254-Y257 VanDerWaalsContact O-N 3.08Å; A254-F258 VanDerWaalsContact O-CD2 3.27Å; A254-F258 WeakPolarHBondContact O-CD2 3.37Å; A254-F258 PolarHBondContact O-N 3.31Å |
| 255 | P | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -30.7 | 178.4 | 22.9 | -33.6 | 0 | 0 | 0 | 112.7 | A205 F236 I238 A252 F258 C259 F265 I267 | A205-P255 HydrophobicContact CB-CG 4.27Å; F236-P255 HydrophobicContact CD2-CB 4.08Å; F236-P255 HydrophobicContact CE2-CB 4.17Å; F236-P255 HydrophobicContact CG-CB 4.25Å; F236-P255 HydrophobicContact CZ-CB 4.44Å; I238-P255 HydrophobicContact CD1-CG 4.46Å; A252-P255 HydrophobicContact CB-CG 4.39Å; A252-P255 VanDerWaalsContact O-CD 3.26Å; A252-P255 WeakPolarHBondContact O-CD 3.49Å; A252-P255 WeakPolarHBondContact O-CG 3.42Å; P255-F258 PolarHBondContact O-N 2.91Å; P255-C259 WeakPolarHBondContact O-CB 3.44Å; P255-C259 PolarHBondContact O-N 3.42Å; P255-F265 HydrophobicContact CB-CE2 4.11Å; P255-F265 HydrophobicContact CB-CZ 3.95Å; P255-F265 WeakPolarHBondContact O-CE1 3.46Å; P255-F265 WeakPolarHBondContact O-CZ 3.33Å; P255-I267 HydrophobicContact CB-CD1 3.67Å; P255-I267 HydrophobicContact CG-CD1 3.78Å |
| 256 | R | 97.8 | Very high | 97.3 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.8 | -36.2 | 174.5 | -68.8 | 173.3 | -176.7 | -166 | 6.4 | 112.8 | V82 L83 E249 A252 A254 C259 N260 | V82-R256 PolarHBondContact O-NH2 2.8Å; L83-R256 PolarHBondContact O-NE 3.16Å; E249-R256 IonicContact OE1-CZ 2.95Å; E249-R256 IonicContact OE1-NH1 3.64Å; E249-R256 PolarHBondContact OE1-NH1 3.13Å; E249-R256 IonicContact OE1-NH2 2.68Å; E249-R256 PolarHBondContact OE1-NH2 3.44Å; E249-R256 IonicContact OE2-CZ 3.26Å; E249-R256 IonicContact OE2-NH1 2.75Å; E249-R256 PolarHBondContact OE2-NH1 3.44Å; E249-R256 IonicContact OE2-NH2 2.7Å; A252-R256 HydrophobicContact CB-CG 4.42Å; A252-R256 WeakPolarHBondContact O-CB 3.36Å; A252-R256 WeakPolarHBondContact O-CD 3.43Å; A252-R256 WeakPolarHBondContact O-CG 3.32Å; A252-R256 PolarHBondContact O-N 3.31Å; A252-R256 VanDerWaalsContact O-N 3.09Å; A254-R256 PolarHBondContact O-N 3.37Å; R256-C259 WeakPolarHBondContact O-CB 3.3Å; R256-C259 PolarHBondContact O-N 2.78Å; R256-N260 WeakPolarHBondContact O-CB 3.23Å; R256-N260 VanDerWaalsContact O-CG 3.24Å; R256-N260 PolarHBondContact O-N 2.62Å; R256-N260 PolarHBondContact O-ND2 3.39Å |
| 257 | Y | 97.9 | Very high | 97.5 | Very high | 66 Ų | 66 | 32.5 Ų | 32.5 | 26% | 0.259 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.8 | -46.7 | 171.3 | 179.7 | -96.9 | 0 | 0 | 0 | 111.2 | K221 C224 S253 A254 C259 N260 A261 | K221-Y257 HydrophobicContact CB-CE1 4.21Å; K221-Y257 HydrophobicContact CD-CE2 4.28Å; K221-Y257 HydrophobicContact CG-CD1 4.31Å; K221-Y257 HydrophobicContact CG-CD2 4.31Å; K221-Y257 HydrophobicContact CG-CE1 3.79Å; K221-Y257 HydrophobicContact CG-CE2 3.8Å; C224-Y257 HydrophobicContact CB-CD1 4.07Å; C224-Y257 HydrophobicContact CB-CE1 3.68Å; S253-Y257 WeakPolarHBondContact O-CB 3.17Å; S253-Y257 PolarHBondContact O-N 3.18Å; A254-Y257 WeakPolarHBondContact O-CB 3.35Å; A254-Y257 PolarHBondContact O-N 3.11Å; A254-Y257 VanDerWaalsContact O-N 3.08Å; Y257-C259 VanDerWaalsContact C-N 3.32Å; Y257-C259 PolarHBondContact O-N 3.38Å; Y257-N260 PolarHBondContact O-N 3.4Å; Y257-A261 WeakPolarHBondContact O-CB 3.25Å; Y257-A261 PolarHBondContact O-N 2.89Å |
| 258 | F | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.7 | -83.3 | -121.1 | 0 | 0 | 0 | 111.9 | W220 L223 C224 I227 P234 F236 A254 P255 A261 G262 V263 F265 | W220-F258 HydrophobicContact CE3-CE2 4.1Å; W220-F258 HydrophobicContact CE3-CZ 4.47Å; L223-F258 HydrophobicContact CG-CZ 4.5Å; C224-F258 HydrophobicContact CB-CD2 4.05Å; C224-F258 HydrophobicContact CB-CE1 4.15Å; C224-F258 HydrophobicContact CB-CE2 3.58Å; C224-F258 HydrophobicContact CB-CZ 3.64Å; I227-F258 HydrophobicContact CD1-CE1 3.66Å; I227-F258 HydrophobicContact CD1-CZ 3.97Å; I227-F258 HydrophobicContact CG2-CE1 4.42Å; P234-F258 HydrophobicContact CB-CD1 4.27Å; P234-F258 HydrophobicContact CB-CE1 4.11Å; P234-F258 HydrophobicContact CG-CD1 3.86Å; P234-F258 HydrophobicContact CG-CE1 3.97Å; F236-F258 HydrophobicContact CE2-CB 4.29Å; F236-F258 HydrophobicContact CE2-CD1 4.03Å; F236-F258 HydrophobicContact CE2-CG 4.1Å; F236-F258 HydrophobicContact CZ-CB 4.34Å; F236-F258 AromaticContact CZ-CD1 3.81Å; F236-F258 HydrophobicContact CZ-CD1 3.81Å; F236-F258 AromaticContact CZ-CD2 3.93Å; F236-F258 HydrophobicContact CZ-CD2 3.93Å; F236-F258 HydrophobicContact CZ-CE1 4.01Å; F236-F258 HydrophobicContact CZ-CE2 4.12Å; F236-F258 AromaticContact CZ-CG 3.76Å; F236-F258 HydrophobicContact CZ-CG 3.76Å; F236-F258 HydrophobicContact CZ-CZ 4.16Å; A254-F258 VanDerWaalsContact O-CD2 3.27Å; A254-F258 WeakPolarHBondContact O-CD2 3.37Å; A254-F258 PolarHBondContact O-N 3.31Å; P255-F258 PolarHBondContact O-N 2.91Å; F258-A261 CarbonylContact O-C 3.4Å; F258-A261 PolarHBondContact O-N 2.79Å; F258-G262 PolarHBondContact O-N 2.6Å; F258-V263 HydrophobicContact CB-CB 4.39Å; F258-V263 HydrophobicContact CD1-CB 4.29Å; F258-V263 HydrophobicContact CD1-CG1 4.09Å; F258-V263 HydrophobicContact CD1-CG2 4.48Å; F258-V263 PolarHBondContact O-N 3.15Å; F258-F265 HydrophobicContact CB-CD1 4.2Å; F258-F265 HydrophobicContact CB-CE1 4.06Å |
| 259 | C | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 30.3 Ų | 30.3 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.1 | -49.4 | 173.9 | 172.5 | 0 | 0 | 0 | 0 | 111.5 | F84 P255 R256 Y257 A261 G262 F265 L288 | F84-C259 HydrophobicContact CD1-CB 4.48Å; F84-C259 HydrophobicContact CE1-CB 4.29Å; P255-C259 WeakPolarHBondContact O-CB 3.44Å; P255-C259 PolarHBondContact O-N 3.42Å; R256-C259 WeakPolarHBondContact O-CB 3.3Å; R256-C259 PolarHBondContact O-N 2.78Å; Y257-C259 VanDerWaalsContact C-N 3.32Å; Y257-C259 PolarHBondContact O-N 3.38Å; C259-A261 VanDerWaalsContact C-N 3.27Å; C259-A261 PolarHBondContact O-N 2.85Å; C259-G262 PolarHBondContact O-N 3.13Å; C259-G262 VanDerWaalsContact O-N 3.09Å; C259-F265 HydrophobicContact CB-CE1 3.97Å; C259-F265 HydrophobicContact CB-CZ 4.31Å; C259-L288 HydrophobicContact CB-CD2 3.89Å |
| 260 | N | 96.5 | Very high | 97.8 | Very high | 111 Ų | 111 | 25.9 Ų | 25.9 | 59% | 0.594 | 15% | 0.152 | S | C | * | . | H | α-helix | trans | -67.8 | -27.6 | 178.8 | -68.1 | -17.6 | 0 | 0 | 0 | 112.6 | S87 R256 Y257 G262 | S87-N260 PolarHBondContact OG-OD1 3.18Å; R256-N260 WeakPolarHBondContact O-CB 3.23Å; R256-N260 VanDerWaalsContact O-CG 3.24Å; R256-N260 PolarHBondContact O-N 2.62Å; R256-N260 PolarHBondContact O-ND2 3.39Å; Y257-N260 PolarHBondContact O-N 3.4Å; N260-G262 PolarHBondContact O-N 3Å |
| 261 | A | 96.8 | Very high | 97.9 | Very high | 30 Ų | 30 | 21.1 Ų | 21.1 | 25% | 0.248 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 0.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y257 F258 C259 V263 | Y257-A261 WeakPolarHBondContact O-CB 3.25Å; Y257-A261 PolarHBondContact O-N 2.89Å; F258-A261 CarbonylContact O-C 3.4Å; F258-A261 PolarHBondContact O-N 2.79Å; C259-A261 VanDerWaalsContact C-N 3.27Å; C259-A261 PolarHBondContact O-N 2.85Å; A261-V263 HydrophobicContact CB-CG2 4.24Å |
| 262 | G | 95.7 | Very high | 97.8 | Very high | 57 Ų | 57 | 21.1 Ų | 21.1 | 59% | 0.588 | 13% | 0.127 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 22 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F258 C259 N260 | F258-G262 PolarHBondContact O-N 2.6Å; C259-G262 PolarHBondContact O-N 3.13Å; C259-G262 VanDerWaalsContact O-N 3.09Å; N260-G262 PolarHBondContact O-N 3Å |
| 263 | V | 97.2 | Very high | 97.7 | Very high | 15 Ų | 15 | 22.9 Ų | 22.9 | 9% | 0.091 | 14% | 0.135 | C | C | . | . | trans | -85.2 | 130.4 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | I227 K228 P234 F258 A261 F265 | I227-V263 HydrophobicContact CG2-CG1 4.48Å; K228-V263 HydrophobicContact CD-CG2 3.8Å; K228-V263 HydrophobicContact CG-CG2 3.71Å; P234-V263 HydrophobicContact CG-CG1 3.73Å; F258-V263 HydrophobicContact CB-CB 4.39Å; F258-V263 HydrophobicContact CD1-CB 4.29Å; F258-V263 HydrophobicContact CD1-CG1 4.09Å; F258-V263 HydrophobicContact CD1-CG2 4.48Å; F258-V263 PolarHBondContact O-N 3.15Å; A261-V263 HydrophobicContact CB-CG2 4.24Å; V263-F265 WeakPolarHBondContact O-CD1 3.03Å | ||
| 264 | E | 97 | Very high | 97.6 | Very high | 76 Ų | 76 | 20.6 Ų | 20.6 | 36% | 0.355 | 12% | 0.119 | S | C | . | . | trans | -73.5 | 135.5 | 169 | -68.5 | -177.6 | 125.4 | 0 | 0 | 110.3 | Y233 P234 L288 S290 | Y233-E264 HydrophobicContact CE2-CB 4.47Å; P234-E264 WeakPolarHBondContact CD-O 3.26Å; E264-L288 WeakPolarHBondContact CA-O 3.36Å; E264-S290 WeakPolarHBondContact OE1-CA 3.34Å; E264-S290 WeakPolarHBondContact OE1-CB 3.4Å; E264-S290 PolarHBondContact OE1-N 3.45Å; E264-S290 PolarHBondContact OE1-OG 3.42Å | ||
| 265 | F | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 164 | -178.8 | 68.6 | -101.8 | 0 | 0 | 0 | 113 | F84 P234 F236 P255 F258 C259 V263 I267 L288 | F84-F265 HydrophobicContact CE1-CE2 4.26Å; F84-F265 AromaticContact CE1-CZ 3.68Å; F84-F265 HydrophobicContact CE1-CZ 3.68Å; F84-F265 HydrophobicContact CZ-CE2 4.19Å; F84-F265 HydrophobicContact CZ-CZ 4.05Å; P234-F265 HydrophobicContact CB-CB 4.25Å; P234-F265 HydrophobicContact CG-CB 3.8Å; P234-F265 WeakPolarHBondContact O-CA 3.32Å; P234-F265 VanDerWaalsContact O-CB 3.28Å; P234-F265 WeakPolarHBondContact O-CB 3.44Å; F236-F265 HydrophobicContact CD2-CB 4.4Å; F236-F265 AromaticContact CD2-CD2 3.65Å; F236-F265 HydrophobicContact CD2-CD2 3.65Å; F236-F265 AromaticContact CD2-CE2 3.98Å; F236-F265 HydrophobicContact CD2-CE2 3.98Å; F236-F265 HydrophobicContact CD2-CG 4.08Å; F236-F265 HydrophobicContact CE2-CB 4.35Å; F236-F265 HydrophobicContact CE2-CD1 4.39Å; F236-F265 HydrophobicContact CE2-CD2 4.05Å; F236-F265 HydrophobicContact CE2-CE2 4.36Å; F236-F265 HydrophobicContact CE2-CG 4.06Å; P255-F265 HydrophobicContact CB-CE2 4.11Å; P255-F265 HydrophobicContact CB-CZ 3.95Å; P255-F265 WeakPolarHBondContact O-CE1 3.46Å; P255-F265 WeakPolarHBondContact O-CZ 3.33Å; F258-F265 HydrophobicContact CB-CD1 4.2Å; F258-F265 HydrophobicContact CB-CE1 4.06Å; C259-F265 HydrophobicContact CB-CE1 3.97Å; C259-F265 HydrophobicContact CB-CZ 4.31Å; V263-F265 WeakPolarHBondContact O-CD1 3.03Å; F265-I267 HydrophobicContact CD2-CB 4.18Å; F265-I267 HydrophobicContact CD2-CG2 4.41Å; F265-I267 HydrophobicContact CE2-CB 3.95Å; F265-I267 HydrophobicContact CE2-CG2 3.91Å; F265-L288 HydrophobicContact CD1-CB 4.39Å; F265-L288 HydrophobicContact CD1-CD2 4Å; F265-L288 HydrophobicContact CE1-CB 4.42Å; F265-L288 HydrophobicContact CE1-CD2 3.57Å; F265-L288 HydrophobicContact CZ-CD2 4.19Å; F265-L288 PolarHBondContact N-O 2.75Å; F265-L288 PolarHBondContact O-N 3.26Å |
| 266 | S | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 148 | 167.7 | -75.1 | 0 | 0 | 0 | 0 | 110 | Y233 P234 F235 F236 S286 | Y233-S266 PolarHBondContact OH-N 2.96Å; Y233-S266 VanDerWaalsContact OH-N 3.1Å; Y233-S266 PolarHBondContact OH-OG 3.16Å; P234-S266 PolarHBondContact O-N 3.4Å; F235-S266 CarbonylContact C-O 3.49Å; F235-S266 WeakPolarHBondContact CA-O 3.45Å; F235-S266 VanDerWaalsContact CD2-CB 3.42Å; F236-S266 PolarHBondContact N-O 2.99Å; S266-S286 CarbonylContact C-O 3.57Å; S266-S286 WeakPolarHBondContact CA-O 3.27Å |
| 267 | I | 98.9 | Very high | 97.5 | Very high | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 125.7 | 174.6 | -172.3 | 156.3 | 0 | 0 | 0 | 111.7 | L83 F84 F236 I238 P255 F265 L285 S286 | L83-I267 HydrophobicContact CD1-CB 4.42Å; L83-I267 HydrophobicContact CD1-CD1 3.73Å; L83-I267 HydrophobicContact CD1-CG1 3.8Å; L83-I267 HydrophobicContact CD1-CG2 3.77Å; L83-I267 HydrophobicContact CD2-CD1 4.04Å; L83-I267 HydrophobicContact CD2-CG2 3.66Å; L83-I267 HydrophobicContact CG-CD1 4.14Å; L83-I267 HydrophobicContact CG-CG2 4.35Å; F84-I267 HydrophobicContact CZ-CG2 4.45Å; F236-I267 HydrophobicContact CB-CB 3.92Å; F236-I267 HydrophobicContact CB-CD1 3.52Å; F236-I267 HydrophobicContact CB-CG1 3.52Å; F236-I267 HydrophobicContact CG-CD1 4.2Å; F236-I267 CarbonylContact O-C 3.27Å; F236-I267 VanDerWaalsContact O-CA 3.32Å; F236-I267 WeakPolarHBondContact O-CA 3.44Å; I238-I267 HydrophobicContact CB-CD1 4.05Å; I238-I267 HydrophobicContact CB-CG1 4.28Å; I238-I267 HydrophobicContact CD1-CD1 4.38Å; I238-I267 HydrophobicContact CG2-CD1 3.72Å; I238-I267 HydrophobicContact CG2-CG1 3.66Å; P255-I267 HydrophobicContact CB-CD1 3.67Å; P255-I267 HydrophobicContact CG-CD1 3.78Å; F265-I267 HydrophobicContact CD2-CB 4.18Å; F265-I267 HydrophobicContact CD2-CG2 4.41Å; F265-I267 HydrophobicContact CE2-CB 3.95Å; F265-I267 HydrophobicContact CE2-CG2 3.91Å; I267-L285 WeakPolarHBondContact O-CA 3.41Å; I267-S286 PolarHBondContact N-O 3.37Å; I267-S286 PolarHBondContact O-N 3.33Å |
| 268 | A | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 110.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | A106 L107 F235 F236 I238 | A106-A268 HydrophobicContact CB-CB 3.63Å; L107-A268 HydrophobicContact CD2-CB 4.03Å; L107-A268 HydrophobicContact CG-CB 3.78Å; F235-A268 HydrophobicContact CE1-CB 3.81Å; F235-A268 HydrophobicContact CZ-CB 4.34Å; F236-A268 PolarHBondContact O-N 3.37Å; I238-A268 PolarHBondContact N-O 2.83Å |
| 269 | Q | 98.6 | Very high | 97.3 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.009 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 142.6 | 177.5 | -167.9 | -177.6 | 45.8 | 0 | 0 | 110.9 | A79 L83 I238 F271 G283 C284 | A79-Q269 PolarHBondContact O-NE2 2.89Å; A79-Q269 PolarHBondContact O-OE1 3.14Å; L83-Q269 HydrophobicContact CD1-CB 4.03Å; L83-Q269 HydrophobicContact CD1-CG 4.26Å; I238-Q269 HydrophobicContact CG2-CB 3.98Å; I238-Q269 HydrophobicContact CG2-CG 4.12Å; Q269-F271 HydrophobicContact CG-CE2 4.06Å; Q269-F271 HydrophobicContact CG-CZ 4.29Å; Q269-F271 VanDerWaalsContact OE1-CE2 3.23Å; Q269-G283 VanDerWaalsContact O-CA 3.27Å; Q269-G283 WeakPolarHBondContact O-CA 3.18Å; Q269-C284 PolarHBondContact N-O 2.94Å; Q269-C284 PolarHBondContact O-N 3.32Å |
| 270 | S | 98.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 28.4 Ų | 28.4 | 4% | 0.035 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.3 | 175 | -172.6 | 0 | 0 | 0 | 0 | 110.7 | S272 | S270-S272 PolarHBondContact OG-N 3.03Å |
| 271 | F | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -99.4 | 6 | 174.8 | -66.4 | -94.8 | 0 | 0 | 0 | 112.9 | F75 A79 Q269 K273 N274 F275 V282 C284 V321 L325 | F75-F271 HydrophobicContact CE2-CD2 4.26Å; F75-F271 AromaticContact CE2-CE2 3.94Å; F75-F271 HydrophobicContact CE2-CE2 3.94Å; F75-F271 HydrophobicContact CE2-CZ 4.18Å; F75-F271 HydrophobicContact CZ-CD2 4.08Å; F75-F271 AromaticContact CZ-CE2 3.73Å; F75-F271 HydrophobicContact CZ-CE2 3.73Å; F75-F271 HydrophobicContact CZ-CZ 4.36Å; A79-F271 HydrophobicContact CB-CE2 4.08Å; A79-F271 HydrophobicContact CB-CZ 3.76Å; Q269-F271 HydrophobicContact CG-CE2 4.06Å; Q269-F271 HydrophobicContact CG-CZ 4.29Å; Q269-F271 VanDerWaalsContact OE1-CE2 3.23Å; F271-K273 PolarHBondContact O-N 3.47Å; F271-N274 WeakPolarHBondContact CA-OD1 3.48Å; F271-N274 PolarHBondContact O-OD1 3Å; F271-F275 HydrophobicContact CB-CB 4.45Å; F271-F275 HydrophobicContact CB-CD2 4.48Å; F271-F275 AromaticContact CD1-CD2 3.64Å; F271-F275 HydrophobicContact CD1-CD2 3.64Å; F271-F275 AromaticContact CD1-CE2 3.86Å; F271-F275 HydrophobicContact CD1-CE2 3.86Å; F271-F275 HydrophobicContact CE1-CD2 4.46Å; F271-F275 HydrophobicContact CE1-CE2 4.24Å; F271-F275 VanDerWaalsContact O-CB 3.32Å; F271-F275 WeakPolarHBondContact O-CB 3.23Å; F271-F275 PolarHBondContact O-N 3.49Å; F271-F275 VanDerWaalsContact O-N 3.11Å; F271-V282 HydrophobicContact CB-CB 3.95Å; F271-V282 HydrophobicContact CB-CG1 3.93Å; F271-V282 HydrophobicContact CD2-CG1 3.85Å; F271-V282 HydrophobicContact CG-CG1 4.04Å; F271-V282 PolarHBondContact N-O 2.98Å; F271-C284 HydrophobicContact CE2-CB 4.43Å; F271-V321 HydrophobicContact CB-CG2 4.3Å; F271-V321 HydrophobicContact CD1-CG1 3.85Å; F271-V321 HydrophobicContact CD1-CG2 4.07Å; F271-V321 HydrophobicContact CE1-CG1 3.74Å; F271-V321 HydrophobicContact CG-CG2 4.26Å; F271-V321 HydrophobicContact CZ-CG1 4.38Å; F271-L325 HydrophobicContact CE1-CD1 4.47Å | ||
| 272 | S | 97.1 | Very high | 97.4 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -38.2 | -177.4 | -62.5 | 0 | 0 | 0 | 0 | 113.5 | S270 G276 L277 Y278 | S270-S272 PolarHBondContact OG-N 3.03Å; S272-G276 CarbonylContact O-C 3.48Å; S272-G276 WeakPolarHBondContact O-CA 3.36Å; S272-G276 PolarHBondContact O-N 3.23Å; S272-L277 PolarHBondContact O-N 2.8Å; S272-L277 PolarHBondContact OG-O 2.86Å; S272-Y278 WeakPolarHBondContact O-CE1 3.41Å; S272-Y278 WeakPolarHBondContact O-CE2 3.23Å |
| 273 | K | 95.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 23.9 Ų | 23.9 | 16% | 0.157 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -37.8 | -173.3 | -77.5 | 77 | -179.9 | -178.1 | 0 | 112.1 | Y240 F243 F271 Y278 | Y240-K273 HydrophobicContact CD1-CB 4.19Å; Y240-K273 HydrophobicContact CD1-CG 3.9Å; Y240-K273 HydrophobicContact CE1-CD 4.21Å; Y240-K273 HydrophobicContact CE1-CG 3.79Å; F243-K273 HydrophobicContact CG-CB 4.37Å; F271-K273 PolarHBondContact O-N 3.47Å; K273-Y278 HydrophobicContact CD-CE1 4.15Å; K273-Y278 HydrophobicContact CG-CE1 4.14Å |
| 274 | N | 96.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -28.3 | -179.1 | 63.2 | 7 | 0 | 0 | 0 | 113.3 | L46 Q241 F271 W334 M338 | L46-N274 WeakPolarHBondContact CD2-O 3.48Å; Q241-N274 VanDerWaalsContact O-CB 3.29Å; Q241-N274 WeakPolarHBondContact O-CB 3.35Å; Q241-N274 PolarHBondContact O-ND2 2.7Å; F271-N274 WeakPolarHBondContact CA-OD1 3.48Å; F271-N274 PolarHBondContact O-OD1 3Å; N274-W334 HydrophobicContact CB-CZ2 4.03Å; N274-W334 PolarHBondContact O-NE1 3.17Å; N274-M338 VanDerWaalsContact C-SD 3.55Å; N274-M338 WeakPolarHBondContact CA-SD 3.46Å; N274-M338 HydrophobicContact CB-CE 3.41Å; N274-M338 VanDerWaalsContact CB-CE 3.41Å; N274-M338 HydrophobicContact CB-SD 3.56Å; N274-M338 VanDerWaalsContact CB-SD 3.56Å |
| 275 | F | 97.9 | Very high | 97.7 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -103.1 | -4.8 | 172 | -87.9 | -103.2 | 0 | 0 | 0 | 113.3 | L46 V49 F271 L277 V321 V324 L325 W334 | L46-F275 WeakPolarHBondContact CD1-O 3.36Å; V49-F275 HydrophobicContact CG2-CD1 3.99Å; V49-F275 WeakPolarHBondContact CG2-O 3.25Å; F271-F275 HydrophobicContact CB-CB 4.45Å; F271-F275 HydrophobicContact CB-CD2 4.48Å; F271-F275 AromaticContact CD1-CD2 3.64Å; F271-F275 HydrophobicContact CD1-CD2 3.64Å; F271-F275 AromaticContact CD1-CE2 3.86Å; F271-F275 HydrophobicContact CD1-CE2 3.86Å; F271-F275 HydrophobicContact CE1-CD2 4.46Å; F271-F275 HydrophobicContact CE1-CE2 4.24Å; F271-F275 VanDerWaalsContact O-CB 3.32Å; F271-F275 WeakPolarHBondContact O-CB 3.23Å; F271-F275 PolarHBondContact O-N 3.49Å; F271-F275 VanDerWaalsContact O-N 3.11Å; F275-L277 HydrophobicContact CB-CB 4.34Å; F275-L277 HydrophobicContact CB-CD1 3.81Å; F275-L277 HydrophobicContact CB-CG 3.79Å; F275-L277 HydrophobicContact CD1-CD1 4.33Å; F275-L277 HydrophobicContact CG-CD1 4.4Å; F275-L277 PolarHBondContact O-N 3.01Å; F275-V321 HydrophobicContact CD1-CG2 3.93Å; F275-V321 HydrophobicContact CD2-CG2 4.29Å; F275-V321 HydrophobicContact CE1-CB 4.37Å; F275-V321 HydrophobicContact CE1-CG1 4.39Å; F275-V321 HydrophobicContact CE1-CG2 4.08Å; F275-V321 HydrophobicContact CE2-CG1 4.09Å; F275-V321 HydrophobicContact CE2-CG2 4.41Å; F275-V321 HydrophobicContact CG-CG2 4.03Å; F275-V321 HydrophobicContact CZ-CB 4.41Å; F275-V321 HydrophobicContact CZ-CG1 3.94Å; F275-V321 HydrophobicContact CZ-CG2 4.33Å; F275-V324 HydrophobicContact CE1-CB 3.69Å; F275-V324 HydrophobicContact CE1-CG1 3.69Å; F275-V324 HydrophobicContact CE1-CG2 3.92Å; F275-V324 HydrophobicContact CZ-CB 4.08Å; F275-V324 HydrophobicContact CZ-CG1 3.82Å; F275-L325 HydrophobicContact CE2-CD2 4.44Å; F275-L325 HydrophobicContact CZ-CD1 4.48Å; F275-L325 HydrophobicContact CZ-CD2 4.04Å; F275-L325 HydrophobicContact CZ-CG 4.04Å; F275-W334 HydrophobicContact CD2-CD2 4.48Å; F275-W334 AromaticContact CD2-CE2 3.6Å; F275-W334 AromaticContact CD2-CZ2 3.75Å; F275-W334 HydrophobicContact CD2-CZ2 3.75Å; F275-W334 AromaticContact CD2-NE1 3.39Å; F275-W334 HydrophobicContact CE1-CG 4.39Å; F275-W334 AromaticContact CE2-CD2 3.75Å; F275-W334 HydrophobicContact CE2-CD2 3.75Å; F275-W334 AromaticContact CE2-CE2 3.19Å; F275-W334 HydrophobicContact CE2-CE3 4.34Å; F275-W334 HydrophobicContact CE2-CG 4.26Å; F275-W334 AromaticContact CE2-CH2 3.95Å; F275-W334 HydrophobicContact CE2-CH2 3.95Å; F275-W334 AromaticContact CE2-CZ2 3.33Å; F275-W334 HydrophobicContact CE2-CZ2 3.33Å; F275-W334 HydrophobicContact CE2-CZ3 4.42Å; F275-W334 AromaticContact CE2-NE1 3.42Å; F275-W334 AromaticContact CG-NE1 3.87Å; F275-W334 AromaticContact CZ-CD2 3.84Å; F275-W334 HydrophobicContact CZ-CD2 3.84Å; F275-W334 AromaticContact CZ-CE2 3.76Å; F275-W334 HydrophobicContact CZ-CE3 4.39Å; F275-W334 HydrophobicContact CZ-CG 4.02Å; F275-W334 HydrophobicContact CZ-CZ2 4.24Å; F275-W334 AromaticContact CZ-NE1 3.88Å |
| 276 | G | 96.3 | Very high | 97.7 | Very high | 19 Ų | 19 | 19.7 Ų | 19.7 | 20% | 0.196 | 10% | 0.096 | C | C | . | . | trans | 67.6 | 12.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114 | S272 Y278 | S272-G276 CarbonylContact O-C 3.48Å; S272-G276 WeakPolarHBondContact O-CA 3.36Å; S272-G276 PolarHBondContact O-N 3.23Å; G276-Y278 VanDerWaalsContact C-N 3.3Å; G276-Y278 WeakPolarHBondContact O-CD2 3.42Å; G276-Y278 PolarHBondContact O-N 3.44Å; G276-Y278 VanDerWaalsContact O-N 3.1Å | ||
| 277 | L | 97.3 | Very high | 97.7 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | trans | -88.6 | 61 | -176.6 | -65 | 178.8 | 0 | 0 | 0 | 111.1 | V49 S272 F275 E280 V282 L320 V321 | V49-L277 HydrophobicContact CG1-CD2 3.83Å; S272-L277 PolarHBondContact O-N 2.8Å; S272-L277 PolarHBondContact OG-O 2.86Å; F275-L277 HydrophobicContact CB-CB 4.34Å; F275-L277 HydrophobicContact CB-CD1 3.81Å; F275-L277 HydrophobicContact CB-CG 3.79Å; F275-L277 HydrophobicContact CD1-CD1 4.33Å; F275-L277 HydrophobicContact CG-CD1 4.4Å; F275-L277 PolarHBondContact O-N 3.01Å; L277-E280 HydrophobicContact CB-CB 4.03Å; L277-E280 HydrophobicContact CB-CG 4.23Å; L277-E280 HydrophobicContact CD2-CG 3.91Å; L277-V282 HydrophobicContact CB-CG2 4.46Å; L277-V282 HydrophobicContact CD1-CG2 4.24Å; L277-L320 HydrophobicContact CD1-CB 4.47Å; L277-L320 HydrophobicContact CD2-CD1 4.24Å; L277-V321 HydrophobicContact CD1-CG2 3.73Å | ||
| 278 | Y | 95.2 | Very high | 97.7 | Very high | 49 Ų | 49 | 19.9 Ų | 19.9 | 19% | 0.192 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -42.8 | -174.1 | -62.8 | -88.8 | 0 | 0 | 0 | 113.3 | A35 Y36 S272 K273 G276 R281 | A35-Y278 HydrophobicContact CB-CD1 3.96Å; A35-Y278 HydrophobicContact CB-CD2 4.24Å; A35-Y278 HydrophobicContact CB-CE1 3.64Å; A35-Y278 HydrophobicContact CB-CE2 3.96Å; A35-Y278 HydrophobicContact CB-CG 4.27Å; Y36-Y278 PolarHBondContact N-OH 3.15Å; S272-Y278 WeakPolarHBondContact O-CE1 3.41Å; S272-Y278 WeakPolarHBondContact O-CE2 3.23Å; K273-Y278 HydrophobicContact CD-CE1 4.15Å; K273-Y278 HydrophobicContact CG-CE1 4.14Å; G276-Y278 VanDerWaalsContact C-N 3.3Å; G276-Y278 WeakPolarHBondContact O-CD2 3.42Å; G276-Y278 PolarHBondContact O-N 3.44Å; G276-Y278 VanDerWaalsContact O-N 3.1Å; Y278-R281 PolarHBondContact O-NH1 3.28Å; Y278-R281 VanDerWaalsContact O-NH1 3.1Å |
| 279 | N | 95.2 | Very high | 97.6 | Very high | 129 Ų | 129 | 20.5 Ų | 20.5 | 69% | 0.69 | 10% | 0.101 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -15 | -177.7 | 63.6 | -30.3 | 0 | 0 | 0 | 113.6 | R281 | N279-R281 VanDerWaalsContact C-N 3.27Å; N279-R281 PolarHBondContact O-N 3.02Å |
| 280 | E | 97.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 23.4 Ų | 23.4 | 25% | 0.252 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -12.3 | 174.4 | -66.8 | -55.7 | 132 | 0 | 0 | 113.9 | L277 V282 H316 G317 | L277-E280 HydrophobicContact CB-CB 4.03Å; L277-E280 HydrophobicContact CB-CG 4.23Å; L277-E280 HydrophobicContact CD2-CG 3.91Å; E280-V282 VanDerWaalsContact C-N 3.35Å; E280-V282 HydrophobicContact CB-CG2 3.8Å; E280-V282 PolarHBondContact O-N 2.74Å; E280-H316 IonicContact OE2-CD2 3.82Å; E280-H316 PolarHBondContact OE2-CD2 3.05Å; E280-G317 PolarHBondContact OE2-N 3.26Å |
| 281 | R | 97.5 | Very high | 97.3 | Very high | 100 Ų | 100 | 26.4 Ų | 26.4 | 38% | 0.377 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.3 | 48.1 | 175.6 | -46.8 | -51.5 | -59 | 156.8 | -1.6 | 112.6 | L101 G102 Y278 N279 | L101-R281 CarbonylContact C-O 3.41Å; G102-R281 VanDerWaalsContact N-C 3.34Å; G102-R281 PolarHBondContact N-O 3.33Å; Y278-R281 PolarHBondContact O-NH1 3.28Å; Y278-R281 VanDerWaalsContact O-NH1 3.1Å; N279-R281 VanDerWaalsContact C-N 3.27Å; N279-R281 PolarHBondContact O-N 3.02Å |
| 282 | V | 98.6 | Very high | 97.2 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.024 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121 | 178.8 | -171.7 | 0 | 0 | 0 | 0 | 110.4 | F75 F271 L277 E280 G317 V321 | F75-V282 HydrophobicContact CE2-CG1 3.62Å; F75-V282 HydrophobicContact CZ-CG1 3.58Å; F271-V282 HydrophobicContact CB-CB 3.95Å; F271-V282 HydrophobicContact CB-CG1 3.93Å; F271-V282 HydrophobicContact CD2-CG1 3.85Å; F271-V282 HydrophobicContact CG-CG1 4.04Å; F271-V282 PolarHBondContact N-O 2.98Å; L277-V282 HydrophobicContact CB-CG2 4.46Å; L277-V282 HydrophobicContact CD1-CG2 4.24Å; E280-V282 VanDerWaalsContact C-N 3.35Å; E280-V282 HydrophobicContact CB-CG2 3.8Å; E280-V282 PolarHBondContact O-N 2.74Å; V282-G317 VanDerWaalsContact CG2-CA 3.48Å; V282-V321 HydrophobicContact CG1-CG2 4.02Å |
| 283 | G | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 165.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | C100 Q269 | C100-G283 PolarHBondContact N-O 2.92Å; C100-G283 PolarHBondContact O-N 3.06Å; Q269-G283 VanDerWaalsContact O-CA 3.27Å; Q269-G283 WeakPolarHBondContact O-CA 3.18Å |
| 284 | C | 98.7 | Very high | 97.3 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 136.8 | -178.6 | -155.5 | 0 | 0 | 0 | 0 | 110.2 | F75 A79 T97 V98 A106 Q269 F271 | F75-C284 HydrophobicContact CE1-CB 4.32Å; F75-C284 HydrophobicContact CZ-CB 4.44Å; A79-C284 HydrophobicContact CB-CB 3.92Å; T97-C284 WeakPolarHBondContact CG2-SG 3.48Å; V98-C284 CarbonylContact O-C 3.39Å; V98-C284 WeakPolarHBondContact O-CA 3.24Å; V98-C284 PolarHBondContact O-SG 3.26Å; A106-C284 WeakPolarHBondContact CB-O 3.39Å; Q269-C284 PolarHBondContact N-O 2.94Å; Q269-C284 PolarHBondContact O-N 3.32Å; F271-C284 HydrophobicContact CE2-CB 4.43Å |
| 285 | L | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 133.5 | 166.7 | 172.5 | 70 | 0 | 0 | 0 | 108.5 | T97 V98 A106 V109 G110 F235 I267 V287 L302 | T97-L285 CarbonylContact C-O 3.22Å; T97-L285 WeakPolarHBondContact CA-O 3.44Å; V98-L285 PolarHBondContact N-O 2.86Å; V98-L285 PolarHBondContact O-N 3.21Å; A106-L285 HydrophobicContact CB-CB 4.18Å; V109-L285 HydrophobicContact CB-CD2 4.25Å; V109-L285 HydrophobicContact CG1-CD2 3.78Å; G110-L285 VanDerWaalsContact CA-CD2 3.44Å; F235-L285 HydrophobicContact CE2-CD1 4.43Å; F235-L285 HydrophobicContact CZ-CD1 3.96Å; I267-L285 WeakPolarHBondContact O-CA 3.41Å; L285-V287 HydrophobicContact CD1-CG2 4.46Å; L285-V287 HydrophobicContact CD2-CG2 4.17Å; L285-V287 HydrophobicContact CG-CG2 4.15Å; L285-L302 HydrophobicContact CD2-CD2 3.82Å |
| 286 | S | 98.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.007 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.5 | 165.2 | -64.3 | 0 | 0 | 0 | 0 | 110.4 | A96 T97 S266 I267 | A96-S286 CarbonylContact O-C 3.58Å; A96-S286 VanDerWaalsContact O-CA 3.27Å; A96-S286 WeakPolarHBondContact O-CA 3.37Å; T97-S286 WeakPolarHBondContact CG2-OG 3.29Å; T97-S286 PolarHBondContact OG1-OG 3.49Å; T97-S286 VanDerWaalsContact OG1-OG 3.1Å; S266-S286 CarbonylContact C-O 3.57Å; S266-S286 WeakPolarHBondContact CA-O 3.27Å; I267-S286 PolarHBondContact N-O 3.37Å; I267-S286 PolarHBondContact O-N 3.33Å |
| 287 | V | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 111.6 | 176.9 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | A96 F113 L285 L289 T298 L302 | A96-V287 HydrophobicContact CB-CB 4.37Å; A96-V287 PolarHBondContact N-O 3.18Å; A96-V287 PolarHBondContact O-N 3.12Å; F113-V287 HydrophobicContact CD1-CG2 4.48Å; F113-V287 HydrophobicContact CE1-CG1 4Å; F113-V287 HydrophobicContact CE1-CG2 4.5Å; L285-V287 HydrophobicContact CD1-CG2 4.46Å; L285-V287 HydrophobicContact CD2-CG2 4.17Å; L285-V287 HydrophobicContact CG-CG2 4.15Å; V287-L289 HydrophobicContact CG1-CD2 3.89Å; V287-T298 HydrophobicContact CB-CG2 4.46Å; V287-T298 HydrophobicContact CG1-CG2 4.45Å; V287-L302 HydrophobicContact CG2-CD1 4.27Å |
| 288 | L | 98.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.6 | 176.8 | 179.2 | 60.9 | 0 | 0 | 0 | 109.4 | I91 K94 L95 C259 E264 F265 | I91-L288 HydrophobicContact CB-CD1 3.95Å; I91-L288 HydrophobicContact CD1-CD1 4.15Å; I91-L288 HydrophobicContact CG2-CD1 4.33Å; K94-L288 HydrophobicContact CD-CD1 4.43Å; K94-L288 HydrophobicContact CG-CD1 4.05Å; L95-L288 HydrophobicContact CD1-CB 4Å; L95-L288 HydrophobicContact CD1-CD1 4.18Å; C259-L288 HydrophobicContact CB-CD2 3.89Å; E264-L288 WeakPolarHBondContact CA-O 3.36Å; F265-L288 HydrophobicContact CD1-CB 4.39Å; F265-L288 HydrophobicContact CD1-CD2 4Å; F265-L288 HydrophobicContact CE1-CB 4.42Å; F265-L288 HydrophobicContact CE1-CD2 3.57Å; F265-L288 HydrophobicContact CZ-CD2 4.19Å; F265-L288 PolarHBondContact N-O 2.75Å; F265-L288 PolarHBondContact O-N 3.26Å |
| 289 | L | 98.1 | Very high | 97.6 | Very high | 14 Ų | 14 | 48.5 Ų | 48.5 | 7% | 0.073 | 26% | 0.261 | C | S | . | . | trans | -101.7 | 160.8 | -178 | -54 | 170.2 | 0 | 0 | 0 | 110.5 | K94 V287 N291 L294 I295 T298 | K94-L289 WeakPolarHBondContact CD-O 3.38Å; K94-L289 WeakPolarHBondContact O-CB 3.39Å; K94-L289 PolarHBondContact O-N 2.77Å; V287-L289 HydrophobicContact CG1-CD2 3.89Å; L289-N291 VanDerWaalsContact C-N 3.34Å; L289-L294 HydrophobicContact CB-CB 4.44Å; L289-L294 HydrophobicContact CD1-CB 3.77Å; L289-L294 HydrophobicContact CG-CB 4.48Å; L289-I295 HydrophobicContact CD1-CD1 3.51Å; L289-I295 HydrophobicContact CD1-CG1 3.92Å; L289-I295 HydrophobicContact CG-CD1 4.5Å; L289-T298 HydrophobicContact CD1-CG2 4.28Å; L289-T298 WeakPolarHBondContact CD1-OG1 3.34Å; L289-T298 HydrophobicContact CD2-CG2 4.43Å | ||
| 290 | S | 95 | Very high | 97.7 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 44% | 0.441 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -67.5 | -36.5 | 178.6 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | E264 | E264-S290 WeakPolarHBondContact OE1-CA 3.34Å; E264-S290 WeakPolarHBondContact OE1-CB 3.4Å; E264-S290 PolarHBondContact OE1-N 3.45Å; E264-S290 PolarHBondContact OE1-OG 3.42Å |
| 291 | N | 95 | Very high | 97.7 | Very high | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -151.9 | 163.6 | -179.9 | 72.1 | 85.6 | 0 | 0 | 0 | 112.4 | L289 S293 | L289-N291 VanDerWaalsContact C-N 3.34Å; N291-S293 PolarHBondContact O-N 2.78Å; N291-S293 WeakPolarHBondContact OD1-CB 3.11Å; N291-S293 PolarHBondContact OD1-N 3.48Å; N291-S293 VanDerWaalsContact OD1-N 3.1Å; N291-S293 PolarHBondContact OD1-OG 3.37Å |
| 292 | E | 97.2 | Very high | 97.8 | Very high | 115 Ų | 115 | 41.2 Ų | 41.2 | 54% | 0.537 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -66.6 | -28.2 | -173.6 | 172.8 | 166.8 | -169.7 | 0 | 0 | 114.3 | N93 L294 I295 | N93-E292 HydrophobicContact CB-CG 4.39Å; N93-E292 PolarHBondContact ND2-OE2 3.41Å; N93-E292 WeakPolarHBondContact O-CA 3.48Å; N93-E292 VanDerWaalsContact O-CB 3.3Å; N93-E292 WeakPolarHBondContact O-CB 3.44Å; N93-E292 VanDerWaalsContact O-CG 3.26Å; N93-E292 WeakPolarHBondContact O-CG 2.87Å; E292-L294 PolarHBondContact O-N 3.47Å; E292-I295 WeakPolarHBondContact O-CB 3.18Å; E292-I295 WeakPolarHBondContact O-CG1 3.22Å; E292-I295 PolarHBondContact O-N 3.2Å |
| 293 | S | 97.6 | Very high | 97.7 | Very high | 96 Ų | 96 | 43 Ų | 43 | 67% | 0.671 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -63.7 | -19.4 | -176.6 | 74.3 | 0 | 0 | 0 | 0 | 113.8 | N291 | N291-S293 PolarHBondContact O-N 2.78Å; N291-S293 WeakPolarHBondContact OD1-CB 3.11Å; N291-S293 PolarHBondContact OD1-N 3.48Å; N291-S293 VanDerWaalsContact OD1-N 3.1Å; N291-S293 PolarHBondContact OD1-OG 3.37Å |
| 294 | L | 96.7 | Very high | 97.7 | Very high | 68 Ų | 68 | 47.3 Ų | 47.3 | 36% | 0.356 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -84.5 | -9.5 | -179.9 | -61.7 | 175.9 | 0 | 0 | 0 | 113.4 | L289 E292 T298 | L289-L294 HydrophobicContact CB-CB 4.44Å; L289-L294 HydrophobicContact CD1-CB 3.77Å; L289-L294 HydrophobicContact CG-CB 4.48Å; E292-L294 PolarHBondContact O-N 3.47Å; L294-T298 VanDerWaalsContact O-CB 3.26Å; L294-T298 WeakPolarHBondContact O-CB 3.38Å; L294-T298 PolarHBondContact O-N 3.28Å; L294-T298 PolarHBondContact O-OG1 3.42Å |
| 295 | I | 98.2 | Very high | 97.7 | Very high | 31 Ų | 31 | 47.5 Ų | 47.5 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | -172.7 | -74.9 | -72.7 | 0 | 0 | 0 | 112.4 | N93 K94 A96 L289 E292 T298 N299 | N93-I295 WeakPolarHBondContact O-CG1 3.23Å; K94-I295 VanDerWaalsContact C-CD1 3.47Å; A96-I295 HydrophobicContact CB-CD1 4.19Å; L289-I295 HydrophobicContact CD1-CD1 3.51Å; L289-I295 HydrophobicContact CD1-CG1 3.92Å; L289-I295 HydrophobicContact CG-CD1 4.5Å; E292-I295 WeakPolarHBondContact O-CB 3.18Å; E292-I295 WeakPolarHBondContact O-CG1 3.22Å; E292-I295 PolarHBondContact O-N 3.2Å; I295-T298 PolarHBondContact O-N 3.03Å; I295-N299 WeakPolarHBondContact CG2-ND2 3.09Å; I295-N299 WeakPolarHBondContact O-CB 3.41Å; I295-N299 PolarHBondContact O-N 3.04Å; I295-N299 PolarHBondContact O-ND2 2.94Å |
| 296 | E | 97.8 | Very high | 97.7 | Very high | 165 Ų | 165 | 47.5 Ų | 47.5 | 77% | 0.771 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.1 | -50.6 | -178.2 | -172.8 | 179.3 | 172.3 | 0 | 0 | 111.1 | T298 N299 A300 | E296-T298 VanDerWaalsContact C-N 3.34Å; E296-T298 PolarHBondContact O-N 3.2Å; E296-N299 PolarHBondContact O-N 3.01Å; E296-A300 PolarHBondContact O-N 3.01Å |
| 297 | A | 96.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 55.7 Ų | 55.7 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A300 H301 | A297-A300 PolarHBondContact O-N 3.47Å; A297-H301 PolarHBondContact O-CD2 3.14Å; A297-H301 VanDerWaalsContact O-CD2 3.23Å; A297-H301 PolarHBondContact O-N 2.84Å; A297-H301 VanDerWaalsContact O-N 3.07Å |
| 298 | T | 97.9 | Very high | 97.5 | Very high | 10 Ų | 10 | 59.7 Ų | 59.7 | 6% | 0.061 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61 | -47.6 | 177.6 | -61.2 | 0 | 0 | 0 | 0 | 111.4 | A96 F113 V287 L289 L294 I295 E296 A300 H301 L302 | A96-T298 HydrophobicContact CB-CG2 3.6Å; F113-T298 HydrophobicContact CE1-CG2 4.47Å; F113-T298 HydrophobicContact CE2-CG2 4.11Å; F113-T298 HydrophobicContact CZ-CG2 3.78Å; V287-T298 HydrophobicContact CB-CG2 4.46Å; V287-T298 HydrophobicContact CG1-CG2 4.45Å; L289-T298 HydrophobicContact CD1-CG2 4.28Å; L289-T298 WeakPolarHBondContact CD1-OG1 3.34Å; L289-T298 HydrophobicContact CD2-CG2 4.43Å; L294-T298 VanDerWaalsContact O-CB 3.26Å; L294-T298 WeakPolarHBondContact O-CB 3.38Å; L294-T298 PolarHBondContact O-N 3.28Å; L294-T298 PolarHBondContact O-OG1 3.42Å; I295-T298 PolarHBondContact O-N 3.03Å; E296-T298 VanDerWaalsContact C-N 3.34Å; E296-T298 PolarHBondContact O-N 3.2Å; T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 3.23Å; T298-H301 PolarHBondContact O-N 3.41Å; T298-L302 HydrophobicContact CG2-CD1 3.74Å; T298-L302 HydrophobicContact CG2-CG 4.41Å; T298-L302 WeakPolarHBondContact O-CB 3.28Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.37Å; T298-L302 PolarHBondContact O-N 3.38Å |
| 299 | N | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 62.8 Ų | 62.8 | 21% | 0.214 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.2 | -34.7 | 177.1 | -79.1 | -30.1 | 0 | 0 | 0 | 112.3 | L70 I295 E296 T303 | L70-N299 HydrophobicContact CD1-CB 4.14Å; I295-N299 WeakPolarHBondContact CG2-ND2 3.09Å; I295-N299 WeakPolarHBondContact O-CB 3.41Å; I295-N299 PolarHBondContact O-N 3.04Å; I295-N299 PolarHBondContact O-ND2 2.94Å; E296-N299 PolarHBondContact O-N 3.01Å; N299-T303 WeakPolarHBondContact O-CB 3.5Å; N299-T303 PolarHBondContact O-N 3.17Å; N299-T303 PolarHBondContact O-OG1 3.46Å |
| 300 | A | 97.6 | Very high | 97.4 | Very high | 54 Ų | 54 | 64.3 Ų | 64.3 | 45% | 0.446 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E296 A297 T298 T303 T304 | E296-A300 PolarHBondContact O-N 3.01Å; A297-A300 PolarHBondContact O-N 3.47Å; T298-A300 VanDerWaalsContact C-N 3.3Å; T298-A300 PolarHBondContact O-N 3.23Å; A300-T303 PolarHBondContact O-N 3.44Å; A300-T304 PolarHBondContact O-N 3.48Å; A300-T304 VanDerWaalsContact O-N 3.07Å; A300-T304 PolarHBondContact O-OG1 3.32Å |
| 301 | H | 97.7 | Very high | 97.5 | Very high | 77 Ų | 77 | 64 Ų | 64 | 36% | 0.356 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 174.6 | -78.2 | -71.3 | 0 | 0 | 0 | 111.7 | F113 H116 A297 T298 T303 T304 I305 | F113-H301 HydrophobicContact CD2-CB 3.93Å; F113-H301 HydrophobicContact CE2-CB 3.86Å; H116-H301 AromaticContact CD2-ND1 3.86Å; A297-H301 PolarHBondContact O-CD2 3.14Å; A297-H301 VanDerWaalsContact O-CD2 3.23Å; A297-H301 PolarHBondContact O-N 2.84Å; A297-H301 VanDerWaalsContact O-N 3.07Å; T298-H301 PolarHBondContact O-N 3.41Å; H301-T303 VanDerWaalsContact C-N 3.33Å; H301-T303 PolarHBondContact O-N 3.23Å; H301-T304 PolarHBondContact O-N 3.2Å; H301-T304 VanDerWaalsContact O-N 3.17Å; H301-I305 WeakPolarHBondContact O-CG1 3.41Å; H301-I305 PolarHBondContact O-N 2.91Å |
| 302 | L | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 177.4 | -69.8 | 169.6 | 0 | 0 | 0 | 111.7 | L70 A96 V98 V109 F113 L285 V287 T298 T304 I305 V306 | L70-L302 HydrophobicContact CD2-CB 4.29Å; A96-L302 HydrophobicContact CB-CD1 4.05Å; V98-L302 HydrophobicContact CG2-CB 4.07Å; V98-L302 HydrophobicContact CG2-CD1 3.67Å; V98-L302 HydrophobicContact CG2-CG 4.34Å; V109-L302 HydrophobicContact CG1-CD2 3.83Å; F113-L302 HydrophobicContact CB-CD2 3.89Å; F113-L302 HydrophobicContact CD2-CD2 4.01Å; F113-L302 HydrophobicContact CD2-CG 4.16Å; F113-L302 HydrophobicContact CG-CD2 3.93Å; L285-L302 HydrophobicContact CD2-CD2 3.82Å; V287-L302 HydrophobicContact CG2-CD1 4.27Å; T298-L302 HydrophobicContact CG2-CD1 3.74Å; T298-L302 HydrophobicContact CG2-CG 4.41Å; T298-L302 WeakPolarHBondContact O-CB 3.28Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.37Å; T298-L302 PolarHBondContact O-N 3.38Å; L302-T304 VanDerWaalsContact C-N 3.3Å; L302-T304 PolarHBondContact O-N 3.48Å; L302-I305 PolarHBondContact O-N 3.01Å; L302-V306 VanDerWaalsContact O-CB 3.3Å; L302-V306 WeakPolarHBondContact O-CB 3.4Å; L302-V306 WeakPolarHBondContact O-CG2 3.34Å; L302-V306 PolarHBondContact O-N 3.21Å |
| 303 | T | 98.3 | Very high | 97.5 | Very high | 40 Ų | 40 | 57.6 Ų | 57.6 | 25% | 0.245 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.2 | -44.4 | 174.4 | -65 | 0 | 0 | 0 | 0 | 111.1 | I69 L70 N299 A300 H301 R307 | I69-T303 HydrophobicContact CB-CG2 4.13Å; I69-T303 HydrophobicContact CD1-CG2 3.73Å; I69-T303 HydrophobicContact CG2-CG2 3.76Å; L70-T303 WeakPolarHBondContact CD2-OG1 3.17Å; N299-T303 WeakPolarHBondContact O-CB 3.5Å; N299-T303 PolarHBondContact O-N 3.17Å; N299-T303 PolarHBondContact O-OG1 3.46Å; A300-T303 PolarHBondContact O-N 3.44Å; H301-T303 VanDerWaalsContact C-N 3.33Å; H301-T303 PolarHBondContact O-N 3.23Å; T303-R307 WeakPolarHBondContact O-CB 3.2Å; T303-R307 PolarHBondContact O-N 2.85Å |
| 304 | T | 97.9 | Very high | 97.4 | Very high | 91 Ų | 91 | 56 Ų | 56 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 179.8 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | A300 H301 L302 R307 A308 | A300-T304 PolarHBondContact O-N 3.48Å; A300-T304 VanDerWaalsContact O-N 3.07Å; A300-T304 PolarHBondContact O-OG1 3.32Å; H301-T304 PolarHBondContact O-N 3.2Å; H301-T304 VanDerWaalsContact O-N 3.17Å; L302-T304 VanDerWaalsContact C-N 3.3Å; L302-T304 PolarHBondContact O-N 3.48Å; T304-R307 PolarHBondContact O-N 2.99Å; T304-A308 PolarHBondContact O-N 3.11Å |
| 305 | I | 98.2 | Very high | 97.4 | Very high | 6 Ų | 6 | 54.1 Ų | 54.1 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 178 | -68 | 165.7 | 0 | 0 | 0 | 110.5 | V109 E112 F113 H301 L302 R307 A308 N309 | V109-I305 HydrophobicContact CB-CG2 4.41Å; V109-I305 HydrophobicContact CG1-CG2 4.07Å; V109-I305 HydrophobicContact CG2-CG2 4.35Å; E112-I305 HydrophobicContact CB-CG2 4.28Å; E112-I305 HydrophobicContact CG-CD1 4.28Å; E112-I305 HydrophobicContact CG-CG1 4.33Å; E112-I305 HydrophobicContact CG-CG2 4.09Å; F113-I305 VanDerWaalsContact CA-CD1 3.49Å; F113-I305 HydrophobicContact CB-CD1 3.81Å; F113-I305 HydrophobicContact CD2-CD1 4.46Å; H301-I305 WeakPolarHBondContact O-CG1 3.41Å; H301-I305 PolarHBondContact O-N 2.91Å; L302-I305 PolarHBondContact O-N 3.01Å; I305-R307 PolarHBondContact O-N 2.86Å; I305-A308 PolarHBondContact O-N 2.61Å; I305-N309 PolarHBondContact O-N 2.93Å; I305-N309 PolarHBondContact O-ND2 3Å |
| 306 | V | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -46 | 179.4 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | I69 V98 V109 L302 A308 N309 Y310 S311 | I69-V306 HydrophobicContact CG2-CB 3.97Å; I69-V306 HydrophobicContact CG2-CG1 3.67Å; I69-V306 VanDerWaalsContact O-CG1 3.3Å; I69-V306 WeakPolarHBondContact O-CG1 3.41Å; V98-V306 HydrophobicContact CG1-CG2 3.72Å; V109-V306 HydrophobicContact CG1-CG2 4.08Å; V109-V306 HydrophobicContact CG2-CG2 4.27Å; L302-V306 VanDerWaalsContact O-CB 3.3Å; L302-V306 WeakPolarHBondContact O-CB 3.4Å; L302-V306 WeakPolarHBondContact O-CG2 3.34Å; L302-V306 PolarHBondContact O-N 3.21Å; V306-A308 VanDerWaalsContact C-N 3.27Å; V306-A308 PolarHBondContact O-N 2.7Å; V306-N309 PolarHBondContact O-N 2.83Å; V306-N309 VanDerWaalsContact O-N 3.11Å; V306-Y310 HydrophobicContact CG1-CD2 4.08Å; V306-Y310 HydrophobicContact CG1-CE2 3.45Å; V306-Y310 VanDerWaalsContact CG1-CE2 3.45Å; V306-Y310 PolarHBondContact O-N 2.67Å; V306-S311 PolarHBondContact O-N 3.37Å |
| 307 | R | 97.8 | Very high | 97.3 | Very high | 172 Ų | 172 | 48.8 Ų | 48.8 | 65% | 0.649 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58 | -42.1 | 179.5 | -176.1 | 176.9 | 178.6 | 178.3 | -0.1 | 111.6 | I69 T303 T304 I305 S311 | I69-R307 HydrophobicContact CD1-CB 4.5Å; I69-R307 HydrophobicContact CG2-CB 4.47Å; T303-R307 WeakPolarHBondContact O-CB 3.2Å; T303-R307 PolarHBondContact O-N 2.85Å; T304-R307 PolarHBondContact O-N 2.99Å; I305-R307 PolarHBondContact O-N 2.86Å; R307-S311 WeakPolarHBondContact O-CA 3.38Å; R307-S311 PolarHBondContact O-N 2.87Å; R307-S311 VanDerWaalsContact O-N 3.12Å |
| 308 | A | 97.3 | Very high | 97.3 | Very high | 86 Ų | 86 | 46.2 Ų | 46.2 | 71% | 0.711 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -70.1 | -31.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | T304 I305 V306 | T304-A308 PolarHBondContact O-N 3.11Å; I305-A308 PolarHBondContact O-N 2.61Å; V306-A308 VanDerWaalsContact C-N 3.27Å; V306-A308 PolarHBondContact O-N 2.7Å |
| 309 | N | 96.2 | Very high | 97.3 | Very high | 68 Ų | 68 | 46.1 Ų | 46.1 | 36% | 0.364 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -83.2 | -42.9 | -177.3 | -82.3 | -86.8 | 0 | 0 | 0 | 113.1 | E112 I305 V306 | E112-N309 PolarHBondContact OE2-ND2 2.93Å; I305-N309 PolarHBondContact O-N 2.93Å; I305-N309 PolarHBondContact O-ND2 3Å; V306-N309 PolarHBondContact O-N 2.83Å; V306-N309 VanDerWaalsContact O-N 3.11Å |
| 310 | Y | 97.1 | Very high | 97.3 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 18% | 0.184 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -155.2 | 14.2 | -174.8 | 48.2 | -94.8 | 0 | 0 | 0 | 115.1 | Q99 L101 V109 V306 N312 P313 | Q99-Y310 PolarHBondContact O-OH 3.27Å; L101-Y310 HydrophobicContact CD1-CD1 3.58Å; L101-Y310 HydrophobicContact CD1-CD2 4.46Å; L101-Y310 HydrophobicContact CD1-CE1 4.22Å; L101-Y310 HydrophobicContact CD1-CG 3.75Å; L101-Y310 HydrophobicContact CD2-CD2 4.28Å; L101-Y310 HydrophobicContact CD2-CE2 4.45Å; L101-Y310 HydrophobicContact CD2-CG 4.37Å; L101-Y310 HydrophobicContact CG-CD1 3.81Å; L101-Y310 HydrophobicContact CG-CD2 4.28Å; L101-Y310 HydrophobicContact CG-CE1 3.97Å; L101-Y310 HydrophobicContact CG-CE2 4.37Å; L101-Y310 HydrophobicContact CG-CG 4Å; V109-Y310 HydrophobicContact CG2-CE1 4.19Å; V306-Y310 HydrophobicContact CG1-CD2 4.08Å; V306-Y310 HydrophobicContact CG1-CE2 3.45Å; V306-Y310 VanDerWaalsContact CG1-CE2 3.45Å; V306-Y310 PolarHBondContact O-N 2.67Å; Y310-N312 PolarHBondContact O-N 3.46Å; Y310-P313 HydrophobicContact CE2-CB 4.07Å |
| 311 | S | 96.4 | Very high | 97.3 | Very high | 57 Ų | 57 | 41.7 Ų | 41.7 | 40% | 0.399 | 23% | 0.227 | S | C | . | . | S | Bend | trans | 62 | -74.7 | -175.6 | -163.7 | 0 | 0 | 0 | 0 | 113.6 | V306 R307 | V306-S311 PolarHBondContact O-N 3.37Å; R307-S311 WeakPolarHBondContact O-CA 3.38Å; R307-S311 PolarHBondContact O-N 2.87Å; R307-S311 VanDerWaalsContact O-N 3.12Å |
| 312 | N | 95.5 | Very high | 97.3 | Very high | 39 Ų | 39 | 38.3 Ų | 38.3 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -140.4 | 140.5 | -176.3 | -52.8 | 77.5 | 0 | 0 | 0 | 108.3 | L67 I69 Y310 | L67-N312 PolarHBondContact O-ND2 3.16Å; I69-N312 WeakPolarHBondContact CA-ND2 3.34Å; I69-N312 WeakPolarHBondContact CG1-ND2 3.41Å; I69-N312 PolarHBondContact N-ND2 3.2Å; Y310-N312 PolarHBondContact O-N 3.46Å |
| 313 | P | 97.4 | Very high | 97.3 | Very high | 8 Ų | 8 | 38.6 Ų | 38.6 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | trans | -72.9 | 160.2 | -176.9 | 30.3 | -35.2 | 0 | 0 | 0 | 112.5 | L67 I69 G71 Q99 Y310 | L67-P313 HydrophobicContact CD1-CG 4.42Å; I69-P313 WeakPolarHBondContact O-CD 3.38Å; G71-P313 VanDerWaalsContact CA-CG 3.47Å; Q99-P313 HydrophobicContact CB-CB 4.37Å; Q99-P313 HydrophobicContact CB-CG 3.98Å; Q99-P313 HydrophobicContact CG-CB 3.78Å; Q99-P313 HydrophobicContact CG-CG 3.83Å; Y310-P313 HydrophobicContact CE2-CB 4.07Å | ||
| 314 | P | 96.7 | Very high | 97.3 | Very high | 63 Ų | 63 | 36.7 Ų | 36.7 | 41% | 0.409 | 20% | 0.201 | S | C | . | . | trans | -70.2 | 146.3 | 176.9 | 29.9 | -35.7 | 0 | 0 | 0 | 111.8 | Q99 L101 S318 | Q99-P314 PolarHBondContact NE2-O 3.4Å; L101-P314 HydrophobicContact CD2-CG 3.97Å; P314-S318 PolarHBondContact O-OG 2.88Å | ||
| 315 | N | 95.7 | Very high | 97.3 | Very high | 28 Ų | 28 | 32.8 Ų | 32.8 | 15% | 0.15 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -91.9 | -37.7 | -175.4 | -170.4 | 30.7 | 0 | 0 | 0 | 114.6 | L67 G317 S318 K319 | L67-N315 HydrophobicContact CD1-CB 3.84Å; L67-N315 HydrophobicContact CD2-CB 4.35Å; L67-N315 HydrophobicContact CG-CB 4.08Å; N315-G317 PolarHBondContact O-N 3.04Å; N315-S318 WeakPolarHBondContact CA-OG 3.23Å; N315-S318 PolarHBondContact O-N 2.78Å; N315-S318 PolarHBondContact O-OG 2.92Å; N315-K319 VanDerWaalsContact O-CB 3.32Å; N315-K319 WeakPolarHBondContact O-CB 3.16Å; N315-K319 PolarHBondContact O-N 3.15Å |
| 316 | H | 96 | Very high | 97.3 | Very high | 81 Ų | 81 | 35.4 Ų | 35.4 | 38% | 0.375 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -52.8 | -61.6 | -165.4 | -171.1 | 88.5 | 0 | 0 | 0 | 113.1 | L56 E280 S318 K319 L320 | L56-H316 WeakPolarHBondContact CD2-CE1 3.37Å; E280-H316 IonicContact OE2-CD2 3.82Å; E280-H316 PolarHBondContact OE2-CD2 3.05Å; H316-S318 PolarHBondContact O-N 3.16Å; H316-K319 WeakPolarHBondContact O-CB 3.36Å; H316-K319 PolarHBondContact O-N 3.35Å; H316-K319 VanDerWaalsContact O-N 3.13Å; H316-L320 PolarHBondContact O-N 3.39Å; H316-L320 VanDerWaalsContact O-N 3.1Å |
| 317 | G | 97.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.7 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | E280 V282 N315 K319 L320 V321 | E280-G317 PolarHBondContact OE2-N 3.26Å; V282-G317 VanDerWaalsContact CG2-CA 3.48Å; N315-G317 PolarHBondContact O-N 3.04Å; G317-K319 PolarHBondContact O-N 2.79Å; G317-L320 PolarHBondContact O-N 2.7Å; G317-V321 PolarHBondContact O-N 3.46Å |
| 318 | S | 97.7 | Very high | 97.2 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -32.8 | 175.9 | 48.7 | 0 | 0 | 0 | 0 | 112 | F75 Q99 P314 N315 H316 V321 E322 | F75-S318 WeakPolarHBondContact CD2-O 3.48Å; Q99-S318 VanDerWaalsContact NE2-CB 3.25Å; Q99-S318 PolarHBondContact NE2-OG 2.78Å; P314-S318 PolarHBondContact O-OG 2.88Å; N315-S318 WeakPolarHBondContact CA-OG 3.23Å; N315-S318 PolarHBondContact O-N 2.78Å; N315-S318 PolarHBondContact O-OG 2.92Å; H316-S318 PolarHBondContact O-N 3.16Å; S318-V321 PolarHBondContact O-N 2.83Å; S318-E322 WeakPolarHBondContact O-CB 3.29Å; S318-E322 PolarHBondContact O-N 3.38Å |
| 319 | K | 97.3 | Very high | 97.3 | Very high | 9 Ų | 9 | 37.7 Ų | 37.7 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.4 | -37 | 177.6 | -166.3 | 59.5 | 169.3 | -178.4 | 0 | 111.6 | L56 D61 N315 H316 G317 V321 E322 I323 | L56-K319 HydrophobicContact CD1-CB 4.16Å; L56-K319 HydrophobicContact CD1-CG 3.49Å; L56-K319 VanDerWaalsContact CD1-CG 3.49Å; D61-K319 VanDerWaalsContact OD1-CE 3.28Å; D61-K319 WeakPolarHBondContact OD1-CE 3.33Å; D61-K319 IonicContact OD1-NZ 3.02Å; D61-K319 PolarHBondContact OD1-NZ 3.23Å; D61-K319 WeakPolarHBondContact OD2-CE 3.28Å; D61-K319 IonicContact OD2-NZ 3.89Å; D61-K319 PolarHBondContact OD2-NZ 3.04Å; N315-K319 VanDerWaalsContact O-CB 3.32Å; N315-K319 WeakPolarHBondContact O-CB 3.16Å; N315-K319 PolarHBondContact O-N 3.15Å; H316-K319 WeakPolarHBondContact O-CB 3.36Å; H316-K319 PolarHBondContact O-N 3.35Å; H316-K319 VanDerWaalsContact O-N 3.13Å; G317-K319 PolarHBondContact O-N 2.79Å; K319-V321 VanDerWaalsContact C-N 3.34Å; K319-E322 VanDerWaalsContact CD-OE2 3.26Å; K319-E322 WeakPolarHBondContact CD-OE2 3.11Å; K319-E322 VanDerWaalsContact NZ-CD 3.26Å; K319-E322 IonicContact NZ-OE1 3.66Å; K319-E322 PolarHBondContact NZ-OE1 3.39Å; K319-E322 IonicContact NZ-OE2 3.45Å; K319-E322 PolarHBondContact NZ-OE2 3.42Å; K319-E322 VanDerWaalsContact NZ-OE2 3.09Å; K319-E322 WeakPolarHBondContact O-CB 3.23Å; K319-E322 PolarHBondContact O-N 3.15Å; K319-I323 HydrophobicContact CG-CD1 4.31Å; K319-I323 VanDerWaalsContact O-CG1 3.23Å; K319-I323 WeakPolarHBondContact O-CG1 3.19Å; K319-I323 PolarHBondContact O-N 3.06Å |
| 320 | L | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.6 | -45 | 171.5 | -63.1 | 178.2 | 0 | 0 | 0 | 111.3 | V49 A52 E53 L56 L277 H316 G317 I323 V324 | V49-L320 HydrophobicContact CG1-CD1 4.46Å; A52-L320 HydrophobicContact CB-CD2 4.1Å; E53-L320 HydrophobicContact CB-CD2 4.43Å; E53-L320 HydrophobicContact CG-CD1 3.93Å; E53-L320 HydrophobicContact CG-CD2 3.85Å; L56-L320 HydrophobicContact CB-CD2 4.42Å; L56-L320 HydrophobicContact CD2-CD2 4.05Å; L277-L320 HydrophobicContact CD1-CB 4.47Å; L277-L320 HydrophobicContact CD2-CD1 4.24Å; H316-L320 PolarHBondContact O-N 3.39Å; H316-L320 VanDerWaalsContact O-N 3.1Å; G317-L320 PolarHBondContact O-N 2.7Å; L320-I323 PolarHBondContact O-N 2.98Å; L320-V324 WeakPolarHBondContact O-CG2 3.39Å; L320-V324 PolarHBondContact O-N 3.33Å |
| 321 | V | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 111.2 | F75 F271 F275 L277 V282 G317 S318 K319 V324 L325 | F75-V321 HydrophobicContact CD2-CB 4.01Å; F75-V321 HydrophobicContact CD2-CG1 3.94Å; F75-V321 HydrophobicContact CE2-CB 3.94Å; F75-V321 HydrophobicContact CE2-CG1 3.75Å; F75-V321 HydrophobicContact CE2-CG2 4.46Å; F271-V321 HydrophobicContact CB-CG2 4.3Å; F271-V321 HydrophobicContact CD1-CG1 3.85Å; F271-V321 HydrophobicContact CD1-CG2 4.07Å; F271-V321 HydrophobicContact CE1-CG1 3.74Å; F271-V321 HydrophobicContact CG-CG2 4.26Å; F271-V321 HydrophobicContact CZ-CG1 4.38Å; F275-V321 HydrophobicContact CD1-CG2 3.93Å; F275-V321 HydrophobicContact CD2-CG2 4.29Å; F275-V321 HydrophobicContact CE1-CB 4.37Å; F275-V321 HydrophobicContact CE1-CG1 4.39Å; F275-V321 HydrophobicContact CE1-CG2 4.08Å; F275-V321 HydrophobicContact CE2-CG1 4.09Å; F275-V321 HydrophobicContact CE2-CG2 4.41Å; F275-V321 HydrophobicContact CG-CG2 4.03Å; F275-V321 HydrophobicContact CZ-CB 4.41Å; F275-V321 HydrophobicContact CZ-CG1 3.94Å; F275-V321 HydrophobicContact CZ-CG2 4.33Å; L277-V321 HydrophobicContact CD1-CG2 3.73Å; V282-V321 HydrophobicContact CG1-CG2 4.02Å; G317-V321 PolarHBondContact O-N 3.46Å; S318-V321 PolarHBondContact O-N 2.83Å; K319-V321 VanDerWaalsContact C-N 3.34Å; V321-V324 PolarHBondContact O-N 3.07Å; V321-L325 HydrophobicContact CG1-CD1 3.5Å; V321-L325 VanDerWaalsContact CG1-CD1 3.5Å; V321-L325 HydrophobicContact CG1-CG 4.07Å; V321-L325 WeakPolarHBondContact O-CB 3.37Å; V321-L325 VanDerWaalsContact O-CG 3.32Å; V321-L325 WeakPolarHBondContact O-CG 3.32Å; V321-L325 PolarHBondContact O-N 3.22Å |
| 322 | E | 97.7 | Very high | 97.5 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.028 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -51.6 | 175.1 | -174.1 | -162.3 | 133.8 | 0 | 0 | 111.5 | R59 N72 T74 S318 K319 V324 L325 S326 | R59-E322 IonicContact NH2-OE1 3.64Å; N72-E322 PolarHBondContact ND2-OE2 3.43Å; N72-E322 PolarHBondContact OD1-OE2 3.21Å; T74-E322 HydrophobicContact CG2-CG 3.63Å; S318-E322 WeakPolarHBondContact O-CB 3.29Å; S318-E322 PolarHBondContact O-N 3.38Å; K319-E322 VanDerWaalsContact CD-OE2 3.26Å; K319-E322 WeakPolarHBondContact CD-OE2 3.11Å; K319-E322 VanDerWaalsContact NZ-CD 3.26Å; K319-E322 IonicContact NZ-OE1 3.66Å; K319-E322 PolarHBondContact NZ-OE1 3.39Å; K319-E322 IonicContact NZ-OE2 3.45Å; K319-E322 PolarHBondContact NZ-OE2 3.42Å; K319-E322 VanDerWaalsContact NZ-OE2 3.09Å; K319-E322 WeakPolarHBondContact O-CB 3.23Å; K319-E322 PolarHBondContact O-N 3.15Å; E322-V324 PolarHBondContact O-N 3.48Å; E322-L325 PolarHBondContact O-N 3.31Å; E322-L325 VanDerWaalsContact O-N 3.14Å; E322-S326 VanDerWaalsContact O-CB 3.29Å; E322-S326 WeakPolarHBondContact O-CB 3.31Å; E322-S326 PolarHBondContact O-N 3.31Å; E322-S326 PolarHBondContact O-OG 2.68Å |
| 323 | I | 97.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 37.6 Ų | 37.6 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.1 | -45 | 179.3 | -72.8 | 164.7 | 0 | 0 | 0 | 111.1 | A52 L55 L56 K319 L320 L330 | A52-I323 HydrophobicContact CB-CB 4.27Å; A52-I323 HydrophobicContact CB-CG2 3.85Å; L55-I323 HydrophobicContact CD1-CG2 4.12Å; L56-I323 HydrophobicContact CB-CD1 4.23Å; L56-I323 HydrophobicContact CD1-CD1 3.68Å; K319-I323 HydrophobicContact CG-CD1 4.31Å; K319-I323 VanDerWaalsContact O-CG1 3.23Å; K319-I323 WeakPolarHBondContact O-CG1 3.19Å; K319-I323 PolarHBondContact O-N 3.06Å; L320-I323 PolarHBondContact O-N 2.98Å; I323-L330 HydrophobicContact CG2-CD1 3.88Å |
| 324 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.7 | -46.1 | 179.6 | 173.2 | 0 | 0 | 0 | 0 | 111.8 | V48 A52 F275 L320 V321 E322 N327 L330 K331 W334 | V48-V324 HydrophobicContact CG2-CB 4.5Å; V48-V324 HydrophobicContact CG2-CG1 3.83Å; V48-V324 HydrophobicContact CG2-CG2 3.86Å; A52-V324 HydrophobicContact CB-CG2 3.76Å; F275-V324 HydrophobicContact CE1-CB 3.69Å; F275-V324 HydrophobicContact CE1-CG1 3.69Å; F275-V324 HydrophobicContact CE1-CG2 3.92Å; F275-V324 HydrophobicContact CZ-CB 4.08Å; F275-V324 HydrophobicContact CZ-CG1 3.82Å; L320-V324 WeakPolarHBondContact O-CG2 3.39Å; L320-V324 PolarHBondContact O-N 3.33Å; V321-V324 PolarHBondContact O-N 3.07Å; E322-V324 PolarHBondContact O-N 3.48Å; V324-N327 PolarHBondContact O-N 3.19Å; V324-L330 HydrophobicContact CB-CB 4.4Å; V324-L330 HydrophobicContact CG1-CB 4.2Å; V324-K331 PolarHBondContact O-N 2.88Å; V324-W334 HydrophobicContact CG1-CB 3.73Å; V324-W334 HydrophobicContact CG1-CG 4.22Å |
| 325 | L | 98.3 | Very high | 97.8 | Very high | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.047 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.5 | -22.2 | -173.4 | -64.3 | -178.8 | 0 | 0 | 0 | 113.8 | H78 V82 F271 F275 V321 E322 N327 K331 W334 | H78-L325 HydrophobicContact CB-CB 3.84Å; H78-L325 HydrophobicContact CB-CD1 3.8Å; H78-L325 HydrophobicContact CB-CG 4.49Å; H78-L325 PolarHBondContact CE1-O 2.69Å; H78-L325 VanDerWaalsContact CE1-O 3.26Å; H78-L325 PolarHBondContact ND1-O 2.99Å; V82-L325 HydrophobicContact CG2-CD1 3.73Å; V82-L325 HydrophobicContact CG2-CD2 4.03Å; F271-L325 HydrophobicContact CE1-CD1 4.47Å; F275-L325 HydrophobicContact CE2-CD2 4.44Å; F275-L325 HydrophobicContact CZ-CD1 4.48Å; F275-L325 HydrophobicContact CZ-CD2 4.04Å; F275-L325 HydrophobicContact CZ-CG 4.04Å; V321-L325 HydrophobicContact CG1-CD1 3.5Å; V321-L325 VanDerWaalsContact CG1-CD1 3.5Å; V321-L325 HydrophobicContact CG1-CG 4.07Å; V321-L325 WeakPolarHBondContact O-CB 3.37Å; V321-L325 VanDerWaalsContact O-CG 3.32Å; V321-L325 WeakPolarHBondContact O-CG 3.32Å; V321-L325 PolarHBondContact O-N 3.22Å; E322-L325 PolarHBondContact O-N 3.31Å; E322-L325 VanDerWaalsContact O-N 3.14Å; L325-N327 VanDerWaalsContact C-N 3.33Å; L325-K331 HydrophobicContact CD2-CG 4.33Å; L325-W334 HydrophobicContact CD2-CE3 3.79Å; L325-W334 HydrophobicContact CD2-CH2 4.41Å; L325-W334 HydrophobicContact CD2-CZ3 3.67Å |
| 326 | S | 97.3 | Very high | 97.9 | Very high | 61 Ų | 61 | 40.3 Ų | 40.3 | 43% | 0.427 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -10 | 173.9 | -56.8 | 0 | 0 | 0 | 0 | 113.5 | H78 E322 | H78-S326 PolarHBondContact CD2-OG 3.45Å; H78-S326 PolarHBondContact NE2-OG 2.89Å; E322-S326 VanDerWaalsContact O-CB 3.29Å; E322-S326 WeakPolarHBondContact O-CB 3.31Å; E322-S326 PolarHBondContact O-N 3.31Å; E322-S326 PolarHBondContact O-OG 2.68Å |
| 327 | N | 97.5 | Very high | 97.9 | Very high | 65 Ų | 65 | 36.9 Ų | 36.9 | 35% | 0.348 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -117.9 | 114.7 | 179.4 | -176.5 | -63.2 | 0 | 0 | 0 | 110.2 | V324 L325 R329 L330 K331 | V324-N327 PolarHBondContact O-N 3.19Å; L325-N327 VanDerWaalsContact C-N 3.33Å; N327-R329 VanDerWaalsContact C-N 3.28Å; N327-R329 PolarHBondContact O-N 3.27Å; N327-R329 WeakPolarHBondContact OD1-CB 3.44Å; N327-R329 PolarHBondContact OD1-N 2.75Å; N327-L330 HydrophobicContact CB-CB 4.09Å; N327-L330 HydrophobicContact CB-CD1 4Å; N327-L330 HydrophobicContact CB-CG 4.04Å; N327-L330 PolarHBondContact O-N 3.22Å; N327-L330 VanDerWaalsContact O-N 3.09Å; N327-L330 PolarHBondContact OD1-N 2.98Å; N327-L330 VanDerWaalsContact OD1-N 3.1Å; N327-K331 WeakPolarHBondContact O-CB 3.38Å; N327-K331 PolarHBondContact O-N 2.6Å |
| 328 | E | 98 | Very high | 97.8 | Very high | 106 Ų | 106 | 36.9 Ų | 36.9 | 50% | 0.495 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.5 | -36.9 | -174.1 | -170.1 | 56.3 | -145.1 | 0 | 0 | 112.8 | K331 Q332 | E328-K331 PolarHBondContact O-N 2.96Å; E328-K331 IonicContact OE2-NZ 2.77Å; E328-Q332 VanDerWaalsContact O-CG 3.31Å; E328-Q332 WeakPolarHBondContact O-CG 3.38Å; E328-Q332 PolarHBondContact O-N 3.02Å; E328-Q332 PolarHBondContact OE1-NE2 2.75Å |
| 329 | R | 98.4 | Very high | 97.7 | Very high | 136 Ų | 136 | 42.7 Ų | 42.7 | 51% | 0.513 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 176.1 | -176.4 | -170.8 | 62.7 | 78.5 | 0.4 | 111.8 | E51 N327 Q332 K333 | E51-R329 IonicContact OE1-CZ 3.48Å; E51-R329 IonicContact OE1-NH1 2.94Å; E51-R329 PolarHBondContact OE1-NH1 2.81Å; E51-R329 IonicContact OE1-NH2 2.76Å; E51-R329 PolarHBondContact OE1-NH2 3.3Å; E51-R329 IonicContact OE2-NH1 2.64Å; N327-R329 VanDerWaalsContact C-N 3.28Å; N327-R329 PolarHBondContact O-N 3.27Å; N327-R329 WeakPolarHBondContact OD1-CB 3.44Å; N327-R329 PolarHBondContact OD1-N 2.75Å; R329-Q332 PolarHBondContact O-N 2.59Å; R329-K333 PolarHBondContact O-N 3.27Å; R329-K333 VanDerWaalsContact O-N 3.1Å |
| 330 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.3 | -41.4 | 177.5 | -65.4 | -178.5 | 0 | 0 | 0 | 111 | V48 E51 L55 I323 V324 N327 Q332 K333 W334 | V48-L330 HydrophobicContact CG2-CB 4.09Å; V48-L330 HydrophobicContact CG2-CD2 4.26Å; V48-L330 VanDerWaalsContact CG2-O 3.26Å; V48-L330 WeakPolarHBondContact CG2-O 3.15Å; E51-L330 HydrophobicContact CB-CD2 4.44Å; E51-L330 HydrophobicContact CG-CD2 3.92Å; E51-L330 WeakPolarHBondContact OE1-CD2 3.44Å; L55-L330 HydrophobicContact CD1-CD1 4.01Å; I323-L330 HydrophobicContact CG2-CD1 3.88Å; V324-L330 HydrophobicContact CB-CB 4.4Å; V324-L330 HydrophobicContact CG1-CB 4.2Å; N327-L330 HydrophobicContact CB-CB 4.09Å; N327-L330 HydrophobicContact CB-CD1 4Å; N327-L330 HydrophobicContact CB-CG 4.04Å; N327-L330 PolarHBondContact O-N 3.22Å; N327-L330 VanDerWaalsContact O-N 3.09Å; N327-L330 PolarHBondContact OD1-N 2.98Å; N327-L330 VanDerWaalsContact OD1-N 3.1Å; L330-Q332 VanDerWaalsContact C-N 3.34Å; L330-Q332 PolarHBondContact O-N 3.34Å; L330-K333 PolarHBondContact O-N 3.48Å; L330-W334 PolarHBondContact O-N 3.03Å |
| 331 | K | 98.4 | Very high | 97.5 | Very high | 65 Ų | 65 | 47 Ų | 47 | 28% | 0.283 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.5 | -43.7 | 175 | -177.8 | -177.1 | 167.1 | -160 | 0 | 111.9 | V324 L325 N327 E328 W334 L335 | V324-K331 PolarHBondContact O-N 2.88Å; L325-K331 HydrophobicContact CD2-CG 4.33Å; N327-K331 WeakPolarHBondContact O-CB 3.38Å; N327-K331 PolarHBondContact O-N 2.6Å; E328-K331 PolarHBondContact O-N 2.96Å; E328-K331 IonicContact OE2-NZ 2.77Å; K331-W334 WeakPolarHBondContact O-CB 3.26Å; K331-W334 PolarHBondContact O-N 3.34Å; K331-L335 WeakPolarHBondContact O-CG 3.39Å; K331-L335 PolarHBondContact O-N 3.22Å |
| 332 | Q | 98.2 | Very high | 97.4 | Very high | 84 Ų | 84 | 47.1 Ų | 47.1 | 39% | 0.393 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 175.1 | -69.4 | -55.4 | -36.5 | 0 | 0 | 112.1 | E328 R329 L330 W334 L335 E336 | E328-Q332 VanDerWaalsContact O-CG 3.31Å; E328-Q332 WeakPolarHBondContact O-CG 3.38Å; E328-Q332 PolarHBondContact O-N 3.02Å; E328-Q332 PolarHBondContact OE1-NE2 2.75Å; R329-Q332 PolarHBondContact O-N 2.59Å; L330-Q332 VanDerWaalsContact C-N 3.34Å; L330-Q332 PolarHBondContact O-N 3.34Å; Q332-W334 VanDerWaalsContact C-N 3.28Å; Q332-W334 PolarHBondContact O-N 3.03Å; Q332-L335 WeakPolarHBondContact O-CB 3.49Å; Q332-L335 PolarHBondContact O-N 3.09Å; Q332-L335 VanDerWaalsContact O-N 3.12Å; Q332-E336 WeakPolarHBondContact O-CG 3.35Å; Q332-E336 PolarHBondContact O-N 3.39Å |
| 333 | K | 98.3 | Very high | 97.3 | Very high | 59 Ų | 59 | 48.8 Ų | 48.8 | 26% | 0.257 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.8 | -36.6 | 174.5 | -172.6 | 175.5 | 175.5 | 178.2 | 0 | 112.6 | V48 E51 R329 L330 E336 N337 | V48-K333 HydrophobicContact CB-CB 4.45Å; V48-K333 HydrophobicContact CB-CD 4.29Å; V48-K333 HydrophobicContact CB-CG 4.13Å; V48-K333 HydrophobicContact CG2-CB 4.23Å; V48-K333 HydrophobicContact CG2-CD 4.45Å; V48-K333 HydrophobicContact CG2-CG 4.38Å; E51-K333 IonicContact OE2-NZ 3.36Å; E51-K333 PolarHBondContact OE2-NZ 3.35Å; R329-K333 PolarHBondContact O-N 3.27Å; R329-K333 VanDerWaalsContact O-N 3.1Å; L330-K333 PolarHBondContact O-N 3.48Å; K333-E336 WeakPolarHBondContact O-CB 3.43Å; K333-E336 PolarHBondContact O-N 3Å; K333-N337 VanDerWaalsContact O-CG 3.27Å; K333-N337 PolarHBondContact O-N 3.01Å; K333-N337 PolarHBondContact O-OD1 3.39Å |
| 334 | W | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.9 | -45.7 | 173.1 | 171.8 | 59.9 | 0 | 0 | 0 | 111.8 | V48 V82 L248 N274 F275 V324 L325 L330 K331 Q332 E336 N337 M338 | V48-W334 HydrophobicContact CB-CB 4.44Å; V48-W334 HydrophobicContact CG1-CB 3.88Å; V48-W334 HydrophobicContact CG1-CG 4.4Å; V48-W334 HydrophobicContact CG2-CB 4.18Å; V82-W334 HydrophobicContact CG1-CH2 4.24Å; V82-W334 HydrophobicContact CG2-CH2 4.41Å; V82-W334 HydrophobicContact CG2-CZ3 4.43Å; L248-W334 HydrophobicContact CD1-CH2 3.93Å; L248-W334 HydrophobicContact CD1-CZ3 3.77Å; L248-W334 HydrophobicContact CD2-CH2 3.71Å; L248-W334 HydrophobicContact CD2-CZ2 4.41Å; L248-W334 HydrophobicContact CD2-CZ3 4.37Å; L248-W334 HydrophobicContact CG-CH2 4.38Å; N274-W334 HydrophobicContact CB-CZ2 4.03Å; N274-W334 PolarHBondContact O-NE1 3.17Å; F275-W334 HydrophobicContact CD2-CD2 4.48Å; F275-W334 AromaticContact CD2-CE2 3.6Å; F275-W334 AromaticContact CD2-CZ2 3.75Å; F275-W334 HydrophobicContact CD2-CZ2 3.75Å; F275-W334 AromaticContact CD2-NE1 3.39Å; F275-W334 HydrophobicContact CE1-CG 4.39Å; F275-W334 AromaticContact CE2-CD2 3.75Å; F275-W334 HydrophobicContact CE2-CD2 3.75Å; F275-W334 AromaticContact CE2-CE2 3.19Å; F275-W334 HydrophobicContact CE2-CE3 4.34Å; F275-W334 HydrophobicContact CE2-CG 4.26Å; F275-W334 AromaticContact CE2-CH2 3.95Å; F275-W334 HydrophobicContact CE2-CH2 3.95Å; F275-W334 AromaticContact CE2-CZ2 3.33Å; F275-W334 HydrophobicContact CE2-CZ2 3.33Å; F275-W334 HydrophobicContact CE2-CZ3 4.42Å; F275-W334 AromaticContact CE2-NE1 3.42Å; F275-W334 AromaticContact CG-NE1 3.87Å; F275-W334 AromaticContact CZ-CD2 3.84Å; F275-W334 HydrophobicContact CZ-CD2 3.84Å; F275-W334 AromaticContact CZ-CE2 3.76Å; F275-W334 HydrophobicContact CZ-CE3 4.39Å; F275-W334 HydrophobicContact CZ-CG 4.02Å; F275-W334 HydrophobicContact CZ-CZ2 4.24Å; F275-W334 AromaticContact CZ-NE1 3.88Å; V324-W334 HydrophobicContact CG1-CB 3.73Å; V324-W334 HydrophobicContact CG1-CG 4.22Å; L325-W334 HydrophobicContact CD2-CE3 3.79Å; L325-W334 HydrophobicContact CD2-CH2 4.41Å; L325-W334 HydrophobicContact CD2-CZ3 3.67Å; L330-W334 PolarHBondContact O-N 3.03Å; K331-W334 WeakPolarHBondContact O-CB 3.26Å; K331-W334 PolarHBondContact O-N 3.34Å; Q332-W334 VanDerWaalsContact C-N 3.28Å; Q332-W334 PolarHBondContact O-N 3.03Å; W334-E336 VanDerWaalsContact C-N 3.27Å; W334-E336 PolarHBondContact O-N 3.08Å; W334-N337 PolarHBondContact O-N 3.44Å; W334-N337 VanDerWaalsContact O-N 3.15Å; W334-M338 HydrophobicContact CD2-CG 4.45Å; W334-M338 HydrophobicContact CZ2-CG 4.28Å; W334-M338 WeakPolarHBondContact O-CG 3.24Å; W334-M338 PolarHBondContact O-N 3.3Å |
| 335 | L | 97.9 | Very high | 97.1 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 19% | 0.188 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -36.5 | 174.9 | -67.1 | 171.4 | 0 | 0 | 0 | 112.3 | L248 K331 Q332 M338 K339 | L248-L335 HydrophobicContact CD1-CD2 3.6Å; L248-L335 HydrophobicContact CG-CD2 3.95Å; K331-L335 WeakPolarHBondContact O-CG 3.39Å; K331-L335 PolarHBondContact O-N 3.22Å; Q332-L335 WeakPolarHBondContact O-CB 3.49Å; Q332-L335 PolarHBondContact O-N 3.09Å; Q332-L335 VanDerWaalsContact O-N 3.12Å; L335-M338 WeakPolarHBondContact O-CB 3.2Å; L335-M338 PolarHBondContact O-N 3.16Å; L335-K339 WeakPolarHBondContact O-CG 3.4Å; L335-K339 PolarHBondContact O-N 3.1Å; L335-K339 VanDerWaalsContact O-N 3.08Å |
| 336 | E | 97.4 | Very high | 97 | Very high | 120 Ų | 120 | 55.5 Ų | 55.5 | 56% | 0.561 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.5 | -46.6 | 172.7 | -69.6 | 167.9 | -178.2 | 0 | 0 | 111.8 | Q332 K333 W334 M338 K339 E340 | Q332-E336 WeakPolarHBondContact O-CG 3.35Å; Q332-E336 PolarHBondContact O-N 3.39Å; K333-E336 WeakPolarHBondContact O-CB 3.43Å; K333-E336 PolarHBondContact O-N 3Å; W334-E336 VanDerWaalsContact C-N 3.27Å; W334-E336 PolarHBondContact O-N 3.08Å; E336-M338 VanDerWaalsContact C-N 3.27Å; E336-M338 PolarHBondContact O-N 3.47Å; E336-K339 PolarHBondContact O-N 3.09Å; E336-K339 VanDerWaalsContact O-N 3.16Å; E336-E340 PolarHBondContact O-N 3.05Å |
| 337 | N | 96.4 | Very high | 97 | Very high | 10 Ų | 10 | 57.1 Ų | 57.1 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.1 | -36.1 | 175.5 | -64.7 | 162.2 | 0 | 0 | 0 | 111.9 | W44 L46 P47 V48 K333 W334 E340 M341 | W44-N337 HydrophobicContact CH2-CB 4.08Å; W44-N337 HydrophobicContact CZ3-CB 4.47Å; L46-N337 HydrophobicContact CD2-CB 4.03Å; L46-N337 HydrophobicContact CG-CB 4.3Å; P47-N337 WeakPolarHBondContact CD-OD1 3.47Å; V48-N337 PolarHBondContact N-OD1 3.17Å; K333-N337 VanDerWaalsContact O-CG 3.27Å; K333-N337 PolarHBondContact O-N 3.01Å; K333-N337 PolarHBondContact O-OD1 3.39Å; W334-N337 PolarHBondContact O-N 3.44Å; W334-N337 VanDerWaalsContact O-N 3.15Å; N337-E340 PolarHBondContact O-N 3.27Å; N337-M341 WeakPolarHBondContact O-CG 3.39Å; N337-M341 PolarHBondContact O-N 3.25Å |
| 338 | M | 95.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 54.5 Ų | 54.5 | 1% | 0.01 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61 | -47 | 173.1 | -71 | -48.8 | -63.4 | 0 | 0 | 112.5 | G242 F243 N274 W334 L335 E336 E340 M341 S342 | G242-M338 VanDerWaalsContact O-CE 3.28Å; G242-M338 WeakPolarHBondContact O-CE 3.06Å; F243-M338 HydrophobicContact CB-CE 3.5Å; F243-M338 VanDerWaalsContact CB-CE 3.5Å; F243-M338 HydrophobicContact CD2-CE 4.21Å; F243-M338 HydrophobicContact CG-CE 4.34Å; N274-M338 VanDerWaalsContact C-SD 3.55Å; N274-M338 WeakPolarHBondContact CA-SD 3.46Å; N274-M338 HydrophobicContact CB-CE 3.41Å; N274-M338 VanDerWaalsContact CB-CE 3.41Å; N274-M338 HydrophobicContact CB-SD 3.56Å; N274-M338 VanDerWaalsContact CB-SD 3.56Å; W334-M338 HydrophobicContact CD2-CG 4.45Å; W334-M338 HydrophobicContact CZ2-CG 4.28Å; W334-M338 WeakPolarHBondContact O-CG 3.24Å; W334-M338 PolarHBondContact O-N 3.3Å; L335-M338 WeakPolarHBondContact O-CB 3.2Å; L335-M338 PolarHBondContact O-N 3.16Å; E336-M338 VanDerWaalsContact C-N 3.27Å; E336-M338 PolarHBondContact O-N 3.47Å; M338-E340 VanDerWaalsContact C-N 3.32Å; M338-E340 PolarHBondContact O-N 2.9Å; M338-M341 HydrophobicContact CE-CE 4.07Å; M338-M341 PolarHBondContact O-N 3.13Å; M338-M341 HydrophobicContact SD-CE 3.32Å; M338-M341 WeakPolarHBondContact SD-CE 3.32Å; M338-S342 PolarHBondContact O-N 3.31Å |
| 339 | K | 95.9 | Very high | 96.9 | Very high | 123 Ų | 123 | 49.6 Ų | 49.6 | 54% | 0.535 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -37.6 | 176.8 | -72.3 | 174.3 | -178.7 | 176.7 | 0 | 112 | L335 E336 S342 S343 | L335-K339 WeakPolarHBondContact O-CG 3.4Å; L335-K339 PolarHBondContact O-N 3.1Å; L335-K339 VanDerWaalsContact O-N 3.08Å; E336-K339 PolarHBondContact O-N 3.09Å; E336-K339 VanDerWaalsContact O-N 3.16Å; K339-S342 PolarHBondContact O-OG 3.12Å; K339-S343 WeakPolarHBondContact O-CB 3.41Å; K339-S343 PolarHBondContact O-N 3.26Å; K339-S343 PolarHBondContact O-OG 3.43Å |
| 340 | E | 95.7 | Very high | 96.9 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 46% | 0.463 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -50.9 | 175 | -174.2 | -174.6 | 155.5 | 0 | 0 | 111 | W44 E336 N337 M338 S342 S343 R344 | W44-E340 HydrophobicContact CH2-CG 4.41Å; W44-E340 WeakPolarHBondContact CZ2-OE1 3.36Å; E336-E340 PolarHBondContact O-N 3.05Å; N337-E340 PolarHBondContact O-N 3.27Å; M338-E340 VanDerWaalsContact C-N 3.32Å; M338-E340 PolarHBondContact O-N 2.9Å; E340-S342 PolarHBondContact O-N 3.21Å; E340-S343 PolarHBondContact O-N 2.86Å; E340-R344 PolarHBondContact O-N 2.9Å |
| 341 | M | 95.5 | Very high | 96.8 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -47.8 | 178 | -68.2 | -172.2 | -73.1 | 0 | 0 | 112.2 | Y36 W44 L46 F243 N337 M338 S343 R344 V345 | Y36-M341 HydrophobicContact CD1-CG 4.47Å; Y36-M341 HydrophobicContact CD1-SD 4.28Å; Y36-M341 HydrophobicContact CD2-CB 4.11Å; Y36-M341 HydrophobicContact CD2-CG 4Å; Y36-M341 HydrophobicContact CD2-SD 4.14Å; Y36-M341 HydrophobicContact CE1-CG 4.14Å; Y36-M341 HydrophobicContact CE2-CB 3.7Å; Y36-M341 HydrophobicContact CE2-CG 3.65Å; Y36-M341 HydrophobicContact CE2-SD 4.38Å; Y36-M341 HydrophobicContact CG-CG 4.39Å; Y36-M341 HydrophobicContact CG-SD 4.08Å; W44-M341 HydrophobicContact CE3-CG 3.76Å; W44-M341 HydrophobicContact CE3-SD 3.78Å; W44-M341 HydrophobicContact CH2-CG 4.15Å; W44-M341 HydrophobicContact CZ3-CE 4.31Å; W44-M341 HydrophobicContact CZ3-CG 3.21Å; W44-M341 HydrophobicContact CZ3-SD 3.56Å; W44-M341 VanDerWaalsContact CZ3-SD 3.56Å; L46-M341 HydrophobicContact CD1-CE 4.5Å; L46-M341 HydrophobicContact CD1-SD 4.4Å; L46-M341 HydrophobicContact CD2-CE 3.99Å; L46-M341 HydrophobicContact CG-CE 4.41Å; F243-M341 HydrophobicContact CD2-CB 4.14Å; F243-M341 HydrophobicContact CD2-CE 4.1Å; F243-M341 HydrophobicContact CD2-SD 4.17Å; F243-M341 HydrophobicContact CE2-CB 3.75Å; F243-M341 HydrophobicContact CE2-CE 4.44Å; F243-M341 HydrophobicContact CE2-CG 4.38Å; F243-M341 HydrophobicContact CE2-SD 3.91Å; N337-M341 WeakPolarHBondContact O-CG 3.39Å; N337-M341 PolarHBondContact O-N 3.25Å; M338-M341 HydrophobicContact CE-CE 4.07Å; M338-M341 PolarHBondContact O-N 3.13Å; M338-M341 HydrophobicContact SD-CE 3.32Å; M338-M341 WeakPolarHBondContact SD-CE 3.32Å; M341-S343 VanDerWaalsContact C-N 3.31Å; M341-S343 PolarHBondContact O-N 2.7Å; M341-R344 PolarHBondContact O-N 2.98Å; M341-V345 WeakPolarHBondContact O-CG2 3.41Å; M341-V345 PolarHBondContact O-N 3.45Å |
| 342 | S | 95.9 | Very high | 96.8 | Very high | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.5 | -35.9 | -178 | 80.9 | 0 | 0 | 0 | 0 | 111.5 | F243 T245 G246 M338 K339 E340 V345 R346 | F243-S342 WeakPolarHBondContact O-CB 3.45Å; T245-S342 PolarHBondContact O-OG 3.36Å; G246-S342 VanDerWaalsContact CA-OG 3.3Å; G246-S342 WeakPolarHBondContact CA-OG 3.26Å; G246-S342 PolarHBondContact N-OG 2.98Å; M338-S342 PolarHBondContact O-N 3.31Å; K339-S342 PolarHBondContact O-OG 3.12Å; E340-S342 PolarHBondContact O-N 3.21Å; S342-V345 PolarHBondContact O-N 2.75Å; S342-R346 WeakPolarHBondContact O-CG 3.37Å; S342-R346 PolarHBondContact O-N 3.15Å; S342-R346 PolarHBondContact O-NE 2.89Å |
| 343 | S | 96.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 48.3 Ų | 48.3 | 29% | 0.287 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67 | -44.5 | 175.8 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | K339 E340 M341 V345 R346 N347 | K339-S343 WeakPolarHBondContact O-CB 3.41Å; K339-S343 PolarHBondContact O-N 3.26Å; K339-S343 PolarHBondContact O-OG 3.43Å; E340-S343 PolarHBondContact O-N 2.86Å; M341-S343 VanDerWaalsContact C-N 3.31Å; M341-S343 PolarHBondContact O-N 2.7Å; S343-V345 VanDerWaalsContact C-N 3.33Å; S343-V345 PolarHBondContact O-N 3.5Å; S343-R346 PolarHBondContact O-N 2.84Å; S343-R346 PolarHBondContact OG-NH2 2.92Å; S343-N347 PolarHBondContact O-N 3.34Å; S343-N347 PolarHBondContact O-OD1 3.22Å |
| 344 | R | 95.3 | Very high | 96.8 | Very high | 35 Ų | 35 | 48 Ų | 48 | 13% | 0.132 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -47 | 174.6 | -175.8 | -164.9 | 168.2 | -73.8 | 2.7 | 111.3 | Y36 R37 T38 E340 M341 R346 N347 V348 L407 | Y36-R344 WeakPolarHBondContact OH-CD 3.25Å; R37-R344 PolarHBondContact O-NE 3.38Å; R37-R344 PolarHBondContact O-NH2 2.88Å; T38-R344 PolarHBondContact O-NH2 3.33Å; E340-R344 PolarHBondContact O-N 2.9Å; M341-R344 PolarHBondContact O-N 2.98Å; R344-R346 VanDerWaalsContact C-N 3.32Å; R344-R346 PolarHBondContact O-N 3.4Å; R344-N347 PolarHBondContact O-N 2.74Å; R344-V348 PolarHBondContact O-N 3.21Å; R344-L407 PolarHBondContact NH2-O 3.35Å; R344-L407 VanDerWaalsContact NH2-O 3.13Å |
| 345 | V | 95.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 50.9 Ų | 50.9 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 179.6 | 173 | 0 | 0 | 0 | 0 | 111.6 | Y36 F243 M341 S342 S343 V348 R349 G373 M404 | Y36-V345 HydrophobicContact CE2-CG2 4.47Å; F243-V345 HydrophobicContact CE1-CG2 4.48Å; F243-V345 HydrophobicContact CZ-CG2 4.04Å; M341-V345 WeakPolarHBondContact O-CG2 3.41Å; M341-V345 PolarHBondContact O-N 3.45Å; S342-V345 PolarHBondContact O-N 2.75Å; S343-V345 VanDerWaalsContact C-N 3.33Å; S343-V345 PolarHBondContact O-N 3.5Å; V345-V348 VanDerWaalsContact O-CG1 3.31Å; V345-V348 WeakPolarHBondContact O-CG1 3.31Å; V345-R349 VanDerWaalsContact O-CG 3.25Å; V345-R349 WeakPolarHBondContact O-CG 3.38Å; V345-R349 PolarHBondContact O-N 2.93Å; V345-R349 VanDerWaalsContact O-N 3.17Å; V345-G373 VanDerWaalsContact CG1-O 3.24Å; V345-G373 WeakPolarHBondContact CG1-O 3.44Å; V345-M404 HydrophobicContact CG1-CB 4.1Å |
| 346 | R | 96.3 | Very high | 96.8 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 43% | 0.434 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 173.7 | -77.1 | -179.2 | -72.2 | 146.2 | -3.4 | 112.3 | S342 S343 R344 R349 Q350 | S342-R346 WeakPolarHBondContact O-CG 3.37Å; S342-R346 PolarHBondContact O-N 3.15Å; S342-R346 PolarHBondContact O-NE 2.89Å; S343-R346 PolarHBondContact O-N 2.84Å; S343-R346 PolarHBondContact OG-NH2 2.92Å; R344-R346 VanDerWaalsContact C-N 3.32Å; R344-R346 PolarHBondContact O-N 3.4Å; R346-R349 WeakPolarHBondContact O-CB 3.25Å; R346-R349 PolarHBondContact O-N 2.87Å; R346-Q350 WeakPolarHBondContact O-CG 3.43Å; R346-Q350 PolarHBondContact O-N 3.35Å |
| 347 | N | 96.6 | Very high | 96.8 | Very high | 95 Ų | 95 | 47.5 Ų | 47.5 | 51% | 0.508 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 179.8 | -67.6 | -7.1 | 0 | 0 | 0 | 111.6 | S343 R344 R349 Q350 E351 | S343-N347 PolarHBondContact O-N 3.34Å; S343-N347 PolarHBondContact O-OD1 3.22Å; R344-N347 PolarHBondContact O-N 2.74Å; N347-R349 VanDerWaalsContact C-N 3.29Å; N347-R349 PolarHBondContact O-N 3.47Å; N347-Q350 WeakPolarHBondContact O-CB 3.14Å; N347-Q350 PolarHBondContact O-N 3.34Å; N347-Q350 VanDerWaalsContact O-N 3.15Å; N347-E351 PolarHBondContact O-N 3.32Å |
| 348 | V | 96.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -29.9 | 179.1 | 74.7 | 0 | 0 | 0 | 0 | 112.4 | R344 V345 F352 M404 L407 | R344-V348 PolarHBondContact O-N 3.21Å; V345-V348 VanDerWaalsContact O-CG1 3.31Å; V345-V348 WeakPolarHBondContact O-CG1 3.31Å; V348-F352 WeakPolarHBondContact O-CB 3.05Å; V348-F352 PolarHBondContact O-N 3.38Å; V348-M404 HydrophobicContact CG1-CB 4.08Å; V348-M404 HydrophobicContact CG1-CE 4.09Å; V348-M404 WeakPolarHBondContact CG1-O 3.3Å; V348-L407 HydrophobicContact CG2-CB 3.45Å; V348-L407 VanDerWaalsContact CG2-CB 3.45Å |
| 349 | R | 97.3 | Very high | 97 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.015 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 170 | -74.1 | 169.9 | 179.7 | -77.9 | 2.2 | 111.7 | V345 R346 N347 R353 I368 T369 Q371 I372 G373 F375 M404 | V345-R349 VanDerWaalsContact O-CG 3.25Å; V345-R349 WeakPolarHBondContact O-CG 3.38Å; V345-R349 PolarHBondContact O-N 2.93Å; V345-R349 VanDerWaalsContact O-N 3.17Å; R346-R349 WeakPolarHBondContact O-CB 3.25Å; R346-R349 PolarHBondContact O-N 2.87Å; N347-R349 VanDerWaalsContact C-N 3.29Å; N347-R349 PolarHBondContact O-N 3.47Å; R349-R353 WeakPolarHBondContact O-CB 3.33Å; R349-R353 PolarHBondContact O-N 3.35Å; R349-I368 HydrophobicContact CB-CG2 4.22Å; R349-I368 WeakPolarHBondContact CD-O 3.43Å; R349-I368 HydrophobicContact CG-CG2 4.39Å; R349-I368 PolarHBondContact NH1-O 3.4Å; R349-T369 HydrophobicContact CB-CG2 4.39Å; R349-Q371 WeakPolarHBondContact CD-O 3.5Å; R349-Q371 PolarHBondContact NE-O 2.93Å; R349-Q371 PolarHBondContact NH1-O 2.93Å; R349-I372 PolarHBondContact NH2-O 3.22Å; R349-G373 PolarHBondContact NH2-O 2.95Å; R349-F375 PolarHBondContact NH2-O 3.45Å; R349-M404 HydrophobicContact CB-CE 4.21Å; R349-M404 HydrophobicContact CG-CE 3.56Å; R349-M404 HydrophobicContact CG-CG 3.92Å; R349-M404 HydrophobicContact CG-SD 4.12Å |
| 350 | Q | 97.7 | Very high | 97.1 | Very high | 116 Ų | 116 | 50.7 Ų | 50.7 | 54% | 0.542 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 178.7 | -70.1 | 172.2 | -10.4 | 0 | 0 | 111.2 | R346 N347 R353 A354 T369 | R346-Q350 WeakPolarHBondContact O-CG 3.43Å; R346-Q350 PolarHBondContact O-N 3.35Å; N347-Q350 WeakPolarHBondContact O-CB 3.14Å; N347-Q350 PolarHBondContact O-N 3.34Å; N347-Q350 VanDerWaalsContact O-N 3.15Å; Q350-R353 PolarHBondContact O-N 3.41Å; Q350-A354 WeakPolarHBondContact O-CB 3.45Å; Q350-A354 PolarHBondContact O-N 3.22Å; Q350-T369 HydrophobicContact CG-CG2 4.15Å |
| 351 | E | 97.9 | Very high | 97.1 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 35% | 0.35 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 179.2 | -174.3 | 174.7 | -172 | 0 | 0 | 111.8 | N347 R353 A354 K355 V412 | N347-E351 PolarHBondContact O-N 3.32Å; E351-R353 PolarHBondContact O-N 3.16Å; E351-A354 PolarHBondContact O-N 3.08Å; E351-K355 HydrophobicContact CG-CG 4.48Å; E351-K355 VanDerWaalsContact O-CG 3.31Å; E351-K355 WeakPolarHBondContact O-CG 3.37Å; E351-K355 PolarHBondContact O-N 3.48Å; E351-V412 HydrophobicContact CG-CG1 4.06Å; E351-V412 HydrophobicContact CG-CG2 4.16Å; E351-V412 WeakPolarHBondContact OE1-CG1 3.42Å |
| 352 | F | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 179.4 | -175.3 | -133.1 | 0 | 0 | 0 | 112 | V348 K355 L356 I368 I402 M404 L407 V412 V415 A416 F419 | V348-F352 WeakPolarHBondContact O-CB 3.05Å; V348-F352 PolarHBondContact O-N 3.38Å; F352-K355 PolarHBondContact O-N 2.97Å; F352-L356 HydrophobicContact CD1-CD1 3.96Å; F352-L356 HydrophobicContact CD2-CD1 4.22Å; F352-L356 HydrophobicContact CD2-CG 4.29Å; F352-L356 HydrophobicContact CE1-CD1 3.71Å; F352-L356 HydrophobicContact CE2-CD1 3.98Å; F352-L356 HydrophobicContact CE2-CD2 4.23Å; F352-L356 HydrophobicContact CE2-CG 4.03Å; F352-L356 HydrophobicContact CG-CD1 4.21Å; F352-L356 HydrophobicContact CZ-CD1 3.72Å; F352-L356 HydrophobicContact CZ-CD2 4.29Å; F352-L356 HydrophobicContact CZ-CG 4.21Å; F352-L356 VanDerWaalsContact O-CG 3.3Å; F352-L356 WeakPolarHBondContact O-CG 3.32Å; F352-L356 PolarHBondContact O-N 2.75Å; F352-I368 HydrophobicContact CD1-CG2 4.19Å; F352-I402 HydrophobicContact CE1-CD1 3.96Å; F352-M404 HydrophobicContact CB-CE 4.45Å; F352-M404 HydrophobicContact CD1-CE 4.33Å; F352-L407 HydrophobicContact CB-CD1 3.9Å; F352-L407 HydrophobicContact CD1-CD1 3.67Å; F352-L407 HydrophobicContact CD2-CD1 3.9Å; F352-L407 HydrophobicContact CE1-CD1 4.11Å; F352-L407 HydrophobicContact CE2-CD1 4.32Å; F352-L407 HydrophobicContact CG-CD1 3.55Å; F352-L407 HydrophobicContact CZ-CD1 4.42Å; F352-V412 HydrophobicContact CB-CG2 3.92Å; F352-V412 HydrophobicContact CD2-CG2 3.98Å; F352-V412 HydrophobicContact CG-CG2 4.41Å; F352-V415 HydrophobicContact CE2-CB 4.36Å; F352-V415 HydrophobicContact CE2-CG1 3.85Å; F352-V415 HydrophobicContact CZ-CG1 4.09Å; F352-A416 HydrophobicContact CD2-CB 4.23Å; F352-A416 HydrophobicContact CE2-CB 4.08Å; F352-F419 HydrophobicContact CE1-CD1 4.49Å; F352-F419 HydrophobicContact CE1-CE1 4.22Å; F352-F419 AromaticContact CZ-CD1 3.78Å; F352-F419 HydrophobicContact CZ-CD1 3.78Å; F352-F419 HydrophobicContact CZ-CD2 4.42Å; F352-F419 AromaticContact CZ-CE1 3.76Å; F352-F419 HydrophobicContact CZ-CE1 3.76Å; F352-F419 HydrophobicContact CZ-CE2 4.4Å; F352-F419 HydrophobicContact CZ-CG 4.12Å; F352-F419 HydrophobicContact CZ-CZ 4.09Å |
| 353 | R | 97.9 | Very high | 96.8 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 25% | 0.249 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.2 | -49.1 | 174.2 | 177.4 | -179.3 | 168.9 | -161.4 | -11.9 | 111.6 | R349 Q350 E351 K355 L356 E357 W365 I368 T369 | R349-R353 WeakPolarHBondContact O-CB 3.33Å; R349-R353 PolarHBondContact O-N 3.35Å; Q350-R353 PolarHBondContact O-N 3.41Å; E351-R353 PolarHBondContact O-N 3.16Å; R353-K355 VanDerWaalsContact C-N 3.3Å; R353-K355 PolarHBondContact O-N 3.38Å; R353-L356 PolarHBondContact O-N 3.16Å; R353-E357 HydrophobicContact CG-CG 4.42Å; R353-E357 IonicContact CZ-OE1 3.14Å; R353-E357 IonicContact NE-OE1 2.7Å; R353-E357 PolarHBondContact NE-OE1 3.45Å; R353-E357 IonicContact NE-OE2 3.43Å; R353-E357 IonicContact NH2-OE1 2.78Å; R353-E357 PolarHBondContact NH2-OE1 3.03Å; R353-E357 VanDerWaalsContact NH2-OE1 3.14Å; R353-E357 WeakPolarHBondContact O-CG 3.27Å; R353-E357 PolarHBondContact O-N 3.05Å; R353-W365 WeakPolarHBondContact CD-O 3.46Å; R353-W365 HydrophobicContact CG-CB 4.26Å; R353-I368 HydrophobicContact CB-CB 4.47Å; R353-T369 HydrophobicContact CB-CG2 4.07Å; R353-T369 WeakPolarHBondContact CD-OG1 3.38Å; R353-T369 HydrophobicContact CG-CG2 4.46Å; R353-T369 PolarHBondContact NH1-OG1 3.38Å |
| 354 | A | 98.2 | Very high | 96.7 | Very high | 54 Ų | 54 | 54.4 Ų | 54.4 | 45% | 0.446 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -40.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q350 E351 A358 | Q350-A354 WeakPolarHBondContact O-CB 3.45Å; Q350-A354 PolarHBondContact O-N 3.22Å; E351-A354 PolarHBondContact O-N 3.08Å; A354-A358 WeakPolarHBondContact O-CB 3.34Å; A354-A358 PolarHBondContact O-N 2.93Å |
| 355 | K | 98.5 | Very high | 96.7 | Very high | 59 Ų | 59 | 52.7 Ų | 52.7 | 26% | 0.257 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -66.8 | -43.4 | 176.3 | -68.7 | -74 | -175 | 168.7 | 0 | 112 | E351 F352 R353 E357 A358 F359 E413 A416 | E351-K355 HydrophobicContact CG-CG 4.48Å; E351-K355 VanDerWaalsContact O-CG 3.31Å; E351-K355 WeakPolarHBondContact O-CG 3.37Å; E351-K355 PolarHBondContact O-N 3.48Å; F352-K355 PolarHBondContact O-N 2.97Å; R353-K355 VanDerWaalsContact C-N 3.3Å; R353-K355 PolarHBondContact O-N 3.38Å; K355-E357 PolarHBondContact O-N 3.08Å; K355-A358 PolarHBondContact O-N 2.96Å; K355-F359 HydrophobicContact CB-CD2 4.36Å; K355-F359 HydrophobicContact CB-CE2 4.07Å; K355-F359 HydrophobicContact CD-CE2 4.07Å; K355-F359 HydrophobicContact CD-CZ 4.34Å; K355-F359 WeakPolarHBondContact O-CB 3.47Å; K355-F359 WeakPolarHBondContact O-CD2 3.36Å; K355-F359 WeakPolarHBondContact O-CG 3.26Å; K355-F359 PolarHBondContact O-N 3.1Å; K355-E413 IonicContact NZ-OE2 2.85Å; K355-E413 PolarHBondContact NZ-OE2 2.92Å; K355-A416 HydrophobicContact CB-CB 3.6Å |
| 356 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 175.7 | -73.8 | 165.7 | 0 | 0 | 0 | 111.6 | F352 R353 F359 G360 A361 W365 A416 F419 | F352-L356 HydrophobicContact CD1-CD1 3.96Å; F352-L356 HydrophobicContact CD2-CD1 4.22Å; F352-L356 HydrophobicContact CD2-CG 4.29Å; F352-L356 HydrophobicContact CE1-CD1 3.71Å; F352-L356 HydrophobicContact CE2-CD1 3.98Å; F352-L356 HydrophobicContact CE2-CD2 4.23Å; F352-L356 HydrophobicContact CE2-CG 4.03Å; F352-L356 HydrophobicContact CG-CD1 4.21Å; F352-L356 HydrophobicContact CZ-CD1 3.72Å; F352-L356 HydrophobicContact CZ-CD2 4.29Å; F352-L356 HydrophobicContact CZ-CG 4.21Å; F352-L356 VanDerWaalsContact O-CG 3.3Å; F352-L356 WeakPolarHBondContact O-CG 3.32Å; F352-L356 PolarHBondContact O-N 2.75Å; R353-L356 PolarHBondContact O-N 3.16Å; L356-F359 PolarHBondContact O-N 3.26Å; L356-G360 PolarHBondContact O-N 3.36Å; L356-A361 HydrophobicContact CB-CB 4.04Å; L356-A361 HydrophobicContact CD2-CB 4.35Å; L356-A361 WeakPolarHBondContact O-CB 3.43Å; L356-A361 PolarHBondContact O-N 3.5Å; L356-W365 HydrophobicContact CB-CD2 4.49Å; L356-W365 HydrophobicContact CB-CG 4.38Å; L356-W365 HydrophobicContact CD1-CD2 3.79Å; L356-W365 HydrophobicContact CD1-CE3 3.45Å; L356-W365 VanDerWaalsContact CD1-CE3 3.45Å; L356-W365 HydrophobicContact CD1-CG 4.3Å; L356-W365 HydrophobicContact CD1-CZ3 3.86Å; L356-A416 HydrophobicContact CD2-CB 4.16Å; L356-A416 HydrophobicContact CG-CB 4.2Å; L356-F419 HydrophobicContact CD2-CB 3.6Å; L356-F419 HydrophobicContact CD2-CD1 4.31Å; L356-F419 HydrophobicContact CD2-CG 4.3Å |
| 357 | E | 97.7 | Very high | 96.6 | Very high | 86 Ų | 86 | 54.3 Ų | 54.3 | 40% | 0.402 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.6 | -42.4 | 178.2 | -69.4 | 174.8 | 173.3 | 0 | 0 | 111.2 | R353 K355 F359 G360 | R353-E357 HydrophobicContact CG-CG 4.42Å; R353-E357 IonicContact CZ-OE1 3.14Å; R353-E357 IonicContact NE-OE1 2.7Å; R353-E357 PolarHBondContact NE-OE1 3.45Å; R353-E357 IonicContact NE-OE2 3.43Å; R353-E357 IonicContact NH2-OE1 2.78Å; R353-E357 PolarHBondContact NH2-OE1 3.03Å; R353-E357 VanDerWaalsContact NH2-OE1 3.14Å; R353-E357 WeakPolarHBondContact O-CG 3.27Å; R353-E357 PolarHBondContact O-N 3.05Å; K355-E357 PolarHBondContact O-N 3.08Å; E357-F359 VanDerWaalsContact C-N 3.32Å; E357-F359 PolarHBondContact O-N 3.47Å; E357-G360 PolarHBondContact O-N 3.27Å; E357-G360 VanDerWaalsContact O-N 3.11Å |
| 358 | A | 98.1 | Very high | 96.6 | Very high | 79 Ų | 79 | 49.8 Ų | 49.8 | 65% | 0.653 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -64.8 | -32.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | A354 K355 G360 | A354-A358 WeakPolarHBondContact O-CB 3.34Å; A354-A358 PolarHBondContact O-N 2.93Å; K355-A358 PolarHBondContact O-N 2.96Å; A358-G360 VanDerWaalsContact C-N 3.27Å |
| 359 | F | 98 | Very high | 96.6 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 5.9 | 175.4 | -64.1 | -47.7 | 0 | 0 | 0 | 113.6 | K355 L356 E357 E413 A416 K417 V420 | K355-F359 HydrophobicContact CB-CD2 4.36Å; K355-F359 HydrophobicContact CB-CE2 4.07Å; K355-F359 HydrophobicContact CD-CE2 4.07Å; K355-F359 HydrophobicContact CD-CZ 4.34Å; K355-F359 WeakPolarHBondContact O-CB 3.47Å; K355-F359 WeakPolarHBondContact O-CD2 3.36Å; K355-F359 WeakPolarHBondContact O-CG 3.26Å; K355-F359 PolarHBondContact O-N 3.1Å; L356-F359 PolarHBondContact O-N 3.26Å; E357-F359 VanDerWaalsContact C-N 3.32Å; E357-F359 PolarHBondContact O-N 3.47Å; F359-E413 HydrophobicContact CE2-CG 3.98Å; F359-E413 HydrophobicContact CZ-CG 3.79Å; F359-A416 HydrophobicContact CD2-CB 3.9Å; F359-A416 HydrophobicContact CE2-CB 4.1Å; F359-K417 HydrophobicContact CD1-CG 4.26Å; F359-K417 HydrophobicContact CD2-CG 3.74Å; F359-K417 HydrophobicContact CE1-CD 4.46Å; F359-K417 VanDerWaalsContact CE1-CE 3.45Å; F359-K417 HydrophobicContact CE1-CG 4.18Å; F359-K417 HydrophobicContact CE2-CD 4.41Å; F359-K417 HydrophobicContact CE2-CG 3.64Å; F359-K417 HydrophobicContact CG-CG 4.08Å; F359-K417 HydrophobicContact CZ-CD 4.22Å; F359-K417 HydrophobicContact CZ-CG 3.89Å; F359-V420 HydrophobicContact CB-CG2 3.85Å |
| 360 | G | 96.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 54.5 Ų | 54.5 | 54% | 0.536 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | 31.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | L356 E357 A358 | L356-G360 PolarHBondContact O-N 3.36Å; E357-G360 PolarHBondContact O-N 3.27Å; E357-G360 VanDerWaalsContact O-N 3.11Å; A358-G360 VanDerWaalsContact C-N 3.27Å |
| 361 | A | 96.4 | Very high | 96.4 | Very high | 12 Ų | 12 | 49.1 Ų | 49.1 | 10% | 0.099 | 30% | 0.296 | C | S | . | . | trans | -56.4 | 128.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | L356 W365 V420 L423 | L356-A361 HydrophobicContact CB-CB 4.04Å; L356-A361 HydrophobicContact CD2-CB 4.35Å; L356-A361 WeakPolarHBondContact O-CB 3.43Å; L356-A361 PolarHBondContact O-N 3.5Å; A361-W365 HydrophobicContact CB-CZ2 4.49Å; A361-W365 VanDerWaalsContact CB-NE1 3.31Å; A361-V420 HydrophobicContact CB-CG2 3.74Å; A361-L423 HydrophobicContact CB-CD1 4.29Å | ||
| 362 | P | 93.7 | Very high | 96.3 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -66 | 145.3 | -178.6 | 25.3 | -34.3 | 0 | 0 | 0 | 112.1 | W365 L423 | P362-W365 PolarHBondContact O-NE1 3.19Å; P362-L423 HydrophobicContact CG-CB 3.92Å; P362-L423 HydrophobicContact CG-CD1 4.36Å |
| 363 | G | 91.5 | Very high | 96.1 | Very high | 71 Ų | 71 | 47.6 Ų | 47.6 | 73% | 0.732 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 74.9 | -168.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 364 | S | 93.1 | Very high | 95.9 | Very high | 78 Ų | 78 | 44.5 Ų | 44.5 | 55% | 0.545 | 28% | 0.278 | S | S | . | . | trans | -89.7 | 138.9 | 178.9 | -179.1 | 0 | 0 | 0 | 0 | 112 | R156 R366 | R156-S364 PolarHBondContact NH1-O 2.95Å; S364-R366 PolarHBondContact OG-N 2.75Å | ||
| 365 | W | 94.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | trans | -115.1 | 13.1 | 174.9 | -70.7 | 85.6 | 0 | 0 | 0 | 113.3 | R353 L356 A361 P362 H367 I368 L380 F419 L423 | R353-W365 WeakPolarHBondContact CD-O 3.46Å; R353-W365 HydrophobicContact CG-CB 4.26Å; L356-W365 HydrophobicContact CB-CD2 4.49Å; L356-W365 HydrophobicContact CB-CG 4.38Å; L356-W365 HydrophobicContact CD1-CD2 3.79Å; L356-W365 HydrophobicContact CD1-CE3 3.45Å; L356-W365 VanDerWaalsContact CD1-CE3 3.45Å; L356-W365 HydrophobicContact CD1-CG 4.3Å; L356-W365 HydrophobicContact CD1-CZ3 3.86Å; A361-W365 HydrophobicContact CB-CZ2 4.49Å; A361-W365 VanDerWaalsContact CB-NE1 3.31Å; P362-W365 PolarHBondContact O-NE1 3.19Å; W365-H367 AromaticContact CE3-CE1 3.68Å; W365-H367 PolarHBondContact O-N 3.4Å; W365-I368 HydrophobicContact CE3-CD1 4.16Å; W365-I368 HydrophobicContact CE3-CG1 3.84Å; W365-I368 HydrophobicContact CZ3-CD1 4.37Å; W365-I368 WeakPolarHBondContact O-CB 3.22Å; W365-I368 PolarHBondContact O-N 2.91Å; W365-I368 VanDerWaalsContact O-N 3.17Å; W365-L380 HydrophobicContact CH2-CD2 4.39Å; W365-F419 HydrophobicContact CH2-CD1 4.12Å; W365-F419 HydrophobicContact CZ3-CD1 4.32Å; W365-L423 HydrophobicContact CH2-CD1 4.13Å; W365-L423 HydrophobicContact CZ2-CD1 3.42Å; W365-L423 VanDerWaalsContact CZ2-CD1 3.42Å; W365-L423 HydrophobicContact CZ2-CD2 4.23Å; W365-L423 HydrophobicContact CZ2-CG 4.44Å | ||
| 366 | R | 95.7 | Very high | 95.5 | Very high | 142 Ų | 142 | 39.7 Ų | 39.7 | 54% | 0.536 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -34.6 | 178.5 | -177.1 | -174.3 | 166.7 | 161.1 | 2.9 | 113.1 | S364 I368 T369 D370 | S364-R366 PolarHBondContact OG-N 2.75Å; R366-I368 PolarHBondContact O-N 2.89Å; R366-I368 VanDerWaalsContact O-N 3.13Å; R366-T369 PolarHBondContact O-N 3.3Å; R366-T369 PolarHBondContact O-OG1 2.9Å; R366-D370 WeakPolarHBondContact CG-OD2 3.31Å; R366-D370 IonicContact CZ-OD2 2.67Å; R366-D370 IonicContact NE-OD1 3.12Å; R366-D370 PolarHBondContact NE-OD1 2.73Å; R366-D370 IonicContact NE-OD2 2.73Å; R366-D370 PolarHBondContact NE-OD2 3.01Å; R366-D370 PolarHBondContact O-N 3.33Å; R366-D370 VanDerWaalsContact O-N 3.07Å |
| 367 | H | 95 | Very high | 95.3 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.1 | -30.7 | 179.6 | 61.8 | -69.3 | 0 | 0 | 0 | 112.7 | R156 W365 T369 D370 Q371 F377 T378 | R156-H367 HydrophobicContact CB-CB 4.04Å; R156-H367 VanDerWaalsContact CD-CE1 3.45Å; R156-H367 WeakPolarHBondContact CD-CE1 3.32Å; R156-H367 PolarHBondContact NH1-CE1 3.4Å; R156-H367 VanDerWaalsContact NH1-CE1 3.34Å; R156-H367 WeakPolarHBondContact O-CB 3.4Å; W365-H367 AromaticContact CE3-CE1 3.68Å; W365-H367 PolarHBondContact O-N 3.4Å; H367-T369 VanDerWaalsContact C-N 3.25Å; H367-T369 PolarHBondContact O-N 3.45Å; H367-D370 PolarHBondContact O-N 2.83Å; H367-Q371 WeakPolarHBondContact O-CB 3.43Å; H367-Q371 VanDerWaalsContact O-CD 3.3Å; H367-Q371 WeakPolarHBondContact O-CG 3.31Å; H367-Q371 PolarHBondContact O-N 2.84Å; H367-F377 PolarHBondContact CD2-O 3.23Å; H367-T378 PolarHBondContact NE2-O 3.11Å |
| 368 | I | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -37.8 | 177 | -59.1 | -59.4 | 0 | 0 | 0 | 112 | R349 F352 R353 W365 R366 S376 M404 | R349-I368 HydrophobicContact CB-CG2 4.22Å; R349-I368 WeakPolarHBondContact CD-O 3.43Å; R349-I368 HydrophobicContact CG-CG2 4.39Å; R349-I368 PolarHBondContact NH1-O 3.4Å; F352-I368 HydrophobicContact CD1-CG2 4.19Å; R353-I368 HydrophobicContact CB-CB 4.47Å; W365-I368 HydrophobicContact CE3-CD1 4.16Å; W365-I368 HydrophobicContact CE3-CG1 3.84Å; W365-I368 HydrophobicContact CZ3-CD1 4.37Å; W365-I368 WeakPolarHBondContact O-CB 3.22Å; W365-I368 PolarHBondContact O-N 2.91Å; W365-I368 VanDerWaalsContact O-N 3.17Å; R366-I368 PolarHBondContact O-N 2.89Å; R366-I368 VanDerWaalsContact O-N 3.13Å; I368-S376 VanDerWaalsContact CD1-OG 3.25Å; I368-S376 WeakPolarHBondContact CD1-OG 3.44Å; I368-M404 HydrophobicContact CG2-CE 4.46Å |
| 369 | T | 96.7 | Very high | 94.8 | Very high | 41 Ų | 41 | 34 Ų | 34 | 25% | 0.252 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -91.5 | -21.7 | 179.8 | 49 | 0 | 0 | 0 | 0 | 113.9 | R349 Q350 R353 R366 H367 Q371 | R349-T369 HydrophobicContact CB-CG2 4.39Å; Q350-T369 HydrophobicContact CG-CG2 4.15Å; R353-T369 HydrophobicContact CB-CG2 4.07Å; R353-T369 WeakPolarHBondContact CD-OG1 3.38Å; R353-T369 HydrophobicContact CG-CG2 4.46Å; R353-T369 PolarHBondContact NH1-OG1 3.38Å; R366-T369 PolarHBondContact O-N 3.3Å; R366-T369 PolarHBondContact O-OG1 2.9Å; H367-T369 VanDerWaalsContact C-N 3.25Å; H367-T369 PolarHBondContact O-N 3.45Å; T369-Q371 VanDerWaalsContact C-N 3.31Å |
| 370 | D | 95.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 31 Ų | 31 | 39% | 0.385 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -76.9 | -23.3 | 172.7 | -67.5 | -11.3 | 0 | 0 | 0 | 111.4 | M213 R366 H367 | M213-D370 HydrophobicContact CE-CB 4.2Å; M213-D370 HydrophobicContact SD-CB 4.09Å; R366-D370 WeakPolarHBondContact CG-OD2 3.31Å; R366-D370 IonicContact CZ-OD2 2.67Å; R366-D370 IonicContact NE-OD1 3.12Å; R366-D370 PolarHBondContact NE-OD1 2.73Å; R366-D370 IonicContact NE-OD2 2.73Å; R366-D370 PolarHBondContact NE-OD2 3.01Å; R366-D370 PolarHBondContact O-N 3.33Å; R366-D370 VanDerWaalsContact O-N 3.07Å; H367-D370 PolarHBondContact O-N 2.83Å |
| 371 | Q | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 31.8 Ų | 31.8 | 1% | 0.009 | 19% | 0.193 | C | C | . | . | trans | -77.1 | 148.6 | 173.6 | -72.9 | 167.9 | 7.9 | 0 | 0 | 112.7 | T211 G212 M213 R349 H367 T369 S376 F377 | T211-Q371 WeakPolarHBondContact O-CG 3.48Å; T211-Q371 PolarHBondContact O-NE2 3.14Å; T211-Q371 VanDerWaalsContact O-NE2 3.12Å; T211-Q371 PolarHBondContact O-OE1 3.15Å; G212-Q371 CarbonylContact O-C 3.55Å; G212-Q371 VanDerWaalsContact O-CA 3.27Å; G212-Q371 WeakPolarHBondContact O-CA 3.35Å; M213-Q371 HydrophobicContact CG-CG 3.71Å; M213-Q371 HydrophobicContact SD-CB 4.27Å; M213-Q371 HydrophobicContact SD-CG 3.5Å; M213-Q371 WeakPolarHBondContact SD-CG 3.36Å; R349-Q371 WeakPolarHBondContact CD-O 3.5Å; R349-Q371 PolarHBondContact NE-O 2.93Å; R349-Q371 PolarHBondContact NH1-O 2.93Å; H367-Q371 WeakPolarHBondContact O-CB 3.43Å; H367-Q371 VanDerWaalsContact O-CD 3.3Å; H367-Q371 WeakPolarHBondContact O-CG 3.31Å; H367-Q371 PolarHBondContact O-N 2.84Å; T369-Q371 VanDerWaalsContact C-N 3.31Å; Q371-S376 PolarHBondContact OE1-OG 3.33Å; Q371-F377 PolarHBondContact NE2-O 3Å | ||
| 372 | I | 95.6 | Very high | 94.4 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 21% | 0.21 | 21% | 0.212 | C | C | . | . | trans | -126.8 | 173.7 | 179.8 | 68.9 | 171.5 | 0 | 0 | 0 | 112.7 | A207 G212 D214 A244 T245 R349 | A207-I372 HydrophobicContact CB-CG1 4.28Å; G212-I372 WeakPolarHBondContact CA-O 3.37Å; G212-I372 PolarHBondContact O-N 3.41Å; D214-I372 VanDerWaalsContact OD2-CD1 3.24Å; D214-I372 WeakPolarHBondContact OD2-CD1 3.48Å; A244-I372 HydrophobicContact CB-CD1 3.78Å; A244-I372 HydrophobicContact CB-CG1 4.23Å; T245-I372 HydrophobicContact CG2-CD1 3.75Å; R349-I372 PolarHBondContact NH2-O 3.22Å | ||
| 373 | G | 93.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.021 | 22% | 0.218 | C | C | . | . | S | Bend | trans | 70 | -165 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V345 R349 | V345-G373 VanDerWaalsContact CG1-O 3.24Å; V345-G373 WeakPolarHBondContact CG1-O 3.44Å; R349-G373 PolarHBondContact NH2-O 2.95Å |
| 374 | L | 93.6 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -74.8 | -31.8 | -164.5 | -172 | 64.8 | 0 | 0 | 0 | 113.3 | Y240 F243 N403 M404 C405 | Y240-L374 HydrophobicContact CE1-CB 3.91Å; F243-L374 HydrophobicContact CE1-CB 3.79Å; F243-L374 HydrophobicContact CE1-CD1 4.21Å; F243-L374 HydrophobicContact CZ-CB 4.32Å; F243-L374 HydrophobicContact CZ-CD1 3.89Å; L374-N403 WeakPolarHBondContact CD1-OD1 3.2Å; L374-N403 WeakPolarHBondContact CG-OD1 3.46Å; L374-N403 PolarHBondContact O-OD1 3.22Å; L374-M404 PolarHBondContact O-N 3.42Å; L374-C405 HydrophobicContact CD1-CB 4.09Å; L374-C405 VanDerWaalsContact CD1-SG 3.52Å |
| 375 | F | 94.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 5% | 0.053 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 151.3 | -171.8 | -59.7 | -58.8 | 0 | 0 | 0 | 112 | N209 Y240 R349 R401 I402 N403 | N209-F375 HydrophobicContact CB-CD2 4.48Å; Y240-F375 VanDerWaalsContact OH-CD2 3.26Å; Y240-F375 WeakPolarHBondContact OH-CD2 3.32Å; Y240-F375 WeakPolarHBondContact OH-CE2 3.39Å; R349-F375 PolarHBondContact NH2-O 3.45Å; F375-R401 HydrophobicContact CB-CG 4.1Å; F375-R401 HydrophobicContact CD1-CG 4.48Å; F375-R401 HydrophobicContact CG-CG 4.43Å; F375-I402 CarbonylContact C-O 3.58Å; F375-I402 VanDerWaalsContact CA-O 3.26Å; F375-I402 WeakPolarHBondContact CA-O 3.44Å; F375-N403 HydrophobicContact CD1-CB 4.03Å; F375-N403 HydrophobicContact CE1-CB 4.04Å |
| 376 | S | 94.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 134.8 | 171 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | I368 Q371 R401 I402 M404 | I368-S376 VanDerWaalsContact CD1-OG 3.25Å; I368-S376 WeakPolarHBondContact CD1-OG 3.44Å; Q371-S376 PolarHBondContact OE1-OG 3.33Å; S376-R401 WeakPolarHBondContact O-CA 3.01Å; S376-I402 PolarHBondContact N-O 3.46Å; S376-I402 PolarHBondContact O-N 3.01Å; S376-M404 WeakPolarHBondContact CB-SD 3.42Å |
| 377 | F | 93.5 | Very high | 95.3 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 9% | 0.088 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 106.5 | 171.2 | -157.4 | -123.1 | 0 | 0 | 0 | 108.5 | P128 W151 P210 H367 Q371 G379 N399 R401 | P128-F377 HydrophobicContact CG-CZ 4.46Å; W151-F377 AromaticContact CD1-CE1 3.72Å; W151-F377 AromaticContact CD2-CD1 3.97Å; W151-F377 HydrophobicContact CD2-CD1 3.97Å; W151-F377 HydrophobicContact CD2-CE1 4.37Å; W151-F377 AromaticContact CE2-CD1 3.48Å; W151-F377 VanDerWaalsContact CE2-CD1 3.48Å; W151-F377 AromaticContact CE2-CE1 3.89Å; W151-F377 HydrophobicContact CG-CD1 4.29Å; W151-F377 HydrophobicContact CG-CE1 4.24Å; W151-F377 HydrophobicContact CH2-CD1 4.38Å; W151-F377 AromaticContact CZ2-CD1 3.7Å; W151-F377 HydrophobicContact CZ2-CD1 3.7Å; W151-F377 HydrophobicContact CZ2-CE1 4.46Å; W151-F377 AromaticContact NE1-CD1 3.58Å; W151-F377 AromaticContact NE1-CE1 3.46Å; P210-F377 HydrophobicContact CB-CD2 4.27Å; P210-F377 HydrophobicContact CG-CD2 4.19Å; P210-F377 HydrophobicContact CG-CE2 4.29Å; H367-F377 PolarHBondContact CD2-O 3.23Å; Q371-F377 PolarHBondContact NE2-O 3Å; F377-G379 VanDerWaalsContact C-N 3.34Å; F377-G379 PolarHBondContact O-N 3.47Å; F377-N399 HydrophobicContact CE2-CB 3.85Å; F377-N399 WeakPolarHBondContact CE2-O 3.3Å; F377-N399 HydrophobicContact CZ-CB 4.25Å; F377-N399 WeakPolarHBondContact CZ-O 3.49Å; F377-R401 HydrophobicContact CD2-CB 4.15Å |
| 378 | T | 94.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -76.4 | -23.5 | -166.9 | 59.5 | 0 | 0 | 0 | 0 | 113.2 | H367 L380 G400 I402 F419 | H367-T378 PolarHBondContact NE2-O 3.11Å; T378-L380 VanDerWaalsContact C-N 3.35Å; T378-L380 WeakPolarHBondContact OG1-CG 3.41Å; T378-L380 PolarHBondContact OG1-N 3.17Å; T378-G400 WeakPolarHBondContact CB-O 3.5Å; T378-G400 VanDerWaalsContact CG2-O 3.26Å; T378-G400 WeakPolarHBondContact CG2-O 3.48Å; T378-G400 PolarHBondContact N-O 2.89Å; T378-G400 PolarHBondContact OG1-O 3.21Å; T378-I402 HydrophobicContact CG2-CB 4.47Å; T378-I402 HydrophobicContact CG2-CD1 3.69Å; T378-I402 HydrophobicContact CG2-CG1 3.75Å; T378-I402 HydrophobicContact CG2-CG2 3.99Å; T378-F419 HydrophobicContact CG2-CE1 3.78Å; T378-F419 HydrophobicContact CG2-CZ 4.26Å | ||
| 379 | G | 91.6 | Very high | 95.5 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 28% | 0.278 | 18% | 0.179 | S | C | . | . | trans | 83.1 | 9.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | F377 | F377-G379 VanDerWaalsContact C-N 3.34Å; F377-G379 PolarHBondContact O-N 3.47Å | ||
| 380 | L | 94 | Very high | 95.6 | Very high | 7 Ų | 7 | 38.2 Ų | 38.2 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | trans | -72.4 | 143.3 | 170.6 | -64.3 | -178.4 | 0 | 0 | 0 | 111.4 | W365 T378 Q384 T385 L388 L396 F419 L423 | W365-L380 HydrophobicContact CH2-CD2 4.39Å; T378-L380 VanDerWaalsContact C-N 3.35Å; T378-L380 WeakPolarHBondContact OG1-CG 3.41Å; T378-L380 PolarHBondContact OG1-N 3.17Å; L380-Q384 HydrophobicContact CB-CB 4.22Å; L380-Q384 HydrophobicContact CD2-CB 4.14Å; L380-T385 HydrophobicContact CB-CG2 3.87Å; L380-T385 HydrophobicContact CD1-CG2 4.46Å; L380-L388 HydrophobicContact CD1-CD1 3.47Å; L380-L388 VanDerWaalsContact CD1-CD1 3.47Å; L380-L396 HydrophobicContact CD1-CD1 4.22Å; L380-F419 HydrophobicContact CD1-CD1 3.81Å; L380-F419 HydrophobicContact CD1-CE1 3.5Å; L380-F419 VanDerWaalsContact CD1-CE1 3.5Å; L380-F419 HydrophobicContact CD1-CE2 4.35Å; L380-F419 HydrophobicContact CD1-CG 4.36Å; L380-F419 HydrophobicContact CD1-CZ 3.79Å; L380-F419 HydrophobicContact CG-CD1 4.48Å; L380-F419 HydrophobicContact CG-CE1 4.27Å; L380-L423 HydrophobicContact CD2-CD2 3.61Å; L380-L423 HydrophobicContact CD2-CG 4.08Å | ||
| 381 | N | 93.7 | Very high | 95.7 | Very high | 67 Ų | 67 | 37.6 Ų | 37.6 | 36% | 0.358 | 19% | 0.19 | S | C | . | . | trans | -87.7 | 174.2 | 174.2 | 70 | 41.1 | 0 | 0 | 0 | 112.3 | K383 Q384 T385 | N381-K383 VanDerWaalsContact C-N 3.3Å; N381-K383 PolarHBondContact O-N 3.07Å; N381-K383 WeakPolarHBondContact OD1-CA 3.41Å; N381-K383 WeakPolarHBondContact OD1-CB 3.4Å; N381-K383 PolarHBondContact OD1-N 3.29Å; N381-Q384 PolarHBondContact O-N 3.13Å; N381-Q384 WeakPolarHBondContact OD1-CG 3.36Å; N381-Q384 PolarHBondContact OD1-N 3.31Å; N381-T385 WeakPolarHBondContact O-CG2 3.3Å; N381-T385 PolarHBondContact O-N 3Å; N381-T385 PolarHBondContact O-OG1 3.21Å | ||
| 382 | E | 95.6 | Very high | 95.8 | Very high | 107 Ų | 107 | 38.8 Ų | 38.8 | 50% | 0.5 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -34 | -177.9 | -173.5 | 167.6 | -173.3 | 0 | 0 | 113.3 | T385 K386 K398 | E382-T385 WeakPolarHBondContact CA-OG1 3.18Å; E382-T385 PolarHBondContact O-OG1 3.22Å; E382-K386 VanDerWaalsContact O-CB 3.23Å; E382-K386 WeakPolarHBondContact O-CB 3.28Å; E382-K386 PolarHBondContact O-N 3.02Å; E382-K398 HydrophobicContact CG-CB 4.15Å; E382-K398 HydrophobicContact CG-CG 4.22Å; E382-K398 WeakPolarHBondContact OE1-CD 3.16Å; E382-K398 WeakPolarHBondContact OE1-CE 3.46Å; E382-K398 IonicContact OE1-NZ 3.2Å; E382-K398 PolarHBondContact OE1-NZ 3.04Å |
| 383 | K | 97.2 | Very high | 95.9 | Very high | 121 Ų | 121 | 38.6 Ų | 38.6 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -66.7 | -44.5 | 177.1 | -63.4 | -179.8 | 177.9 | 179.9 | 0 | 111.6 | N381 K386 Y387 S427 | N381-K383 VanDerWaalsContact C-N 3.3Å; N381-K383 PolarHBondContact O-N 3.07Å; N381-K383 WeakPolarHBondContact OD1-CA 3.41Å; N381-K383 WeakPolarHBondContact OD1-CB 3.4Å; N381-K383 PolarHBondContact OD1-N 3.29Å; K383-K386 PolarHBondContact O-N 3.45Å; K383-Y387 WeakPolarHBondContact O-CB 3.4Å; K383-Y387 PolarHBondContact O-N 3.43Å; K383-S427 WeakPolarHBondContact CD-O 3.31Å; K383-S427 WeakPolarHBondContact CD-OXT 3.46Å; K383-S427 PolarHBondContact NZ-O 2.7Å; K383-S427 PolarHBondContact NZ-OXT 2.85Å |
| 384 | Q | 97.3 | Very high | 96.1 | Very high | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.103 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.3 | -43.5 | 179.3 | -68.7 | 167 | -24.5 | 0 | 0 | 111.5 | L380 N381 K386 Y387 L388 A426 | L380-Q384 HydrophobicContact CB-CB 4.22Å; L380-Q384 HydrophobicContact CD2-CB 4.14Å; N381-Q384 PolarHBondContact O-N 3.13Å; N381-Q384 WeakPolarHBondContact OD1-CG 3.36Å; N381-Q384 PolarHBondContact OD1-N 3.31Å; Q384-K386 VanDerWaalsContact C-N 3.34Å; Q384-Y387 PolarHBondContact O-N 3.1Å; Q384-L388 WeakPolarHBondContact O-CG 3.43Å; Q384-L388 PolarHBondContact O-N 3.26Å; Q384-A426 HydrophobicContact CG-CB 4.22Å; Q384-A426 WeakPolarHBondContact CG-O 3.35Å |
| 385 | T | 97.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 39.4 Ų | 39.4 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -37.2 | 176.6 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | L380 N381 E382 T389 L396 L397 K398 | L380-T385 HydrophobicContact CB-CG2 3.87Å; L380-T385 HydrophobicContact CD1-CG2 4.46Å; N381-T385 WeakPolarHBondContact O-CG2 3.3Å; N381-T385 PolarHBondContact O-N 3Å; N381-T385 PolarHBondContact O-OG1 3.21Å; E382-T385 WeakPolarHBondContact CA-OG1 3.18Å; E382-T385 PolarHBondContact O-OG1 3.22Å; T385-T389 PolarHBondContact O-N 3.24Å; T385-T389 VanDerWaalsContact O-N 3.15Å; T385-T389 PolarHBondContact O-OG1 3.04Å; T385-T389 VanDerWaalsContact O-OG1 3.04Å; T385-L396 HydrophobicContact CG2-CD1 3.93Å; T385-L396 HydrophobicContact CG2-CD2 4.32Å; T385-L396 HydrophobicContact CG2-CG 3.94Å; T385-L397 WeakPolarHBondContact CG2-O 3.44Å; T385-K398 PolarHBondContact OG1-O 3.38Å |
| 386 | K | 97.2 | Very high | 96.5 | Very high | 117 Ų | 117 | 39 Ų | 39 | 51% | 0.509 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -64.3 | -45.7 | 172.2 | -179.8 | 165.7 | 173.7 | 35.9 | 0 | 112.1 | E382 K383 Q384 L388 T389 D390 | E382-K386 VanDerWaalsContact O-CB 3.23Å; E382-K386 WeakPolarHBondContact O-CB 3.28Å; E382-K386 PolarHBondContact O-N 3.02Å; K383-K386 PolarHBondContact O-N 3.45Å; Q384-K386 VanDerWaalsContact C-N 3.34Å; K386-L388 VanDerWaalsContact C-N 3.32Å; K386-L388 PolarHBondContact O-N 2.67Å; K386-T389 WeakPolarHBondContact O-CB 3Å; K386-T389 PolarHBondContact O-N 3.31Å; K386-D390 WeakPolarHBondContact CE-OD2 3.2Å; K386-D390 WeakPolarHBondContact CG-OD2 3.42Å; K386-D390 VanDerWaalsContact NZ-CG 3.28Å; K386-D390 IonicContact NZ-OD1 2.75Å; K386-D390 PolarHBondContact NZ-OD1 2.73Å; K386-D390 VanDerWaalsContact NZ-OD1 3.13Å; K386-D390 IonicContact NZ-OD2 2.82Å; K386-D390 PolarHBondContact NZ-OD2 2.64Å; K386-D390 PolarHBondContact O-N 3.4Å |
| 387 | Y | 98.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 39.5 Ų | 39.5 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -59.3 | -43 | 177.2 | -177.2 | -83.2 | 0 | 0 | 0 | 111.9 | K383 Q384 T389 D390 V391 H392 D421 A422 H425 A426 | K383-Y387 WeakPolarHBondContact O-CB 3.4Å; K383-Y387 PolarHBondContact O-N 3.43Å; Q384-Y387 PolarHBondContact O-N 3.1Å; Y387-T389 VanDerWaalsContact C-N 3.26Å; Y387-T389 PolarHBondContact O-N 3.32Å; Y387-D390 PolarHBondContact O-N 3.37Å; Y387-V391 HydrophobicContact CD1-CB 4.38Å; Y387-V391 HydrophobicContact CD1-CG2 4.29Å; Y387-V391 HydrophobicContact CD2-CG2 3.93Å; Y387-V391 HydrophobicContact CE1-CB 4.12Å; Y387-V391 HydrophobicContact CE1-CG1 4.29Å; Y387-V391 HydrophobicContact CE1-CG2 4.14Å; Y387-V391 HydrophobicContact CE2-CG2 3.76Å; Y387-V391 HydrophobicContact CG-CG2 4.19Å; Y387-V391 WeakPolarHBondContact O-CB 3.42Å; Y387-V391 PolarHBondContact O-N 2.64Å; Y387-H392 AromaticContact CE1-CD2 3.91Å; Y387-H392 AromaticContact CE1-NE2 3.8Å; Y387-D421 WeakPolarHBondContact CE1-OD2 3.25Å; Y387-D421 PolarHBondContact OH-OD2 3.27Å; Y387-A422 HydrophobicContact CD1-CB 3.68Å; Y387-A422 HydrophobicContact CE1-CB 4.29Å; Y387-A422 HydrophobicContact CG-CB 4.49Å; Y387-H425 HydrophobicContact CE2-CB 4.31Å; Y387-A426 HydrophobicContact CD1-CB 4.37Å; Y387-A426 HydrophobicContact CD2-CB 3.84Å; Y387-A426 HydrophobicContact CG-CB 3.66Å |
| 388 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.6 | -39 | 172.8 | -76.1 | 171.9 | 0 | 0 | 0 | 112.7 | L380 Q384 K386 H392 H393 I394 L396 A418 F419 A422 | L380-L388 HydrophobicContact CD1-CD1 3.47Å; L380-L388 VanDerWaalsContact CD1-CD1 3.47Å; Q384-L388 WeakPolarHBondContact O-CG 3.43Å; Q384-L388 PolarHBondContact O-N 3.26Å; K386-L388 VanDerWaalsContact C-N 3.32Å; K386-L388 PolarHBondContact O-N 2.67Å; L388-H392 CarbonylContact O-C 3.31Å; L388-H392 VanDerWaalsContact O-C 3.31Å; L388-H392 WeakPolarHBondContact O-CA 3.35Å; L388-H392 WeakPolarHBondContact O-CB 3.25Å; L388-H392 PolarHBondContact O-N 2.97Å; L388-H393 PolarHBondContact O-N 2.94Å; L388-H393 VanDerWaalsContact O-N 3.1Å; L388-I394 CarbonylContact C-O 3.51Å; L388-I394 HydrophobicContact CB-CB 4.28Å; L388-I394 HydrophobicContact CD2-CD1 4.17Å; L388-I394 PolarHBondContact O-N 3.05Å; L388-L396 HydrophobicContact CB-CD2 4.07Å; L388-L396 HydrophobicContact CD1-CD1 3.93Å; L388-L396 HydrophobicContact CD1-CD2 4.12Å; L388-A418 VanDerWaalsContact CD2-C 3.48Å; L388-A418 HydrophobicContact CD2-CB 3.78Å; L388-A418 VanDerWaalsContact CD2-O 3.28Å; L388-A418 WeakPolarHBondContact CD2-O 3.37Å; L388-F419 HydrophobicContact CD1-CD2 3.7Å; L388-F419 HydrophobicContact CD1-CE2 3.5Å; L388-F419 VanDerWaalsContact CD1-CE2 3.5Å; L388-F419 HydrophobicContact CD1-CG 4.41Å; L388-F419 HydrophobicContact CD1-CZ 4.07Å; L388-F419 HydrophobicContact CD2-CD2 3.79Å; L388-F419 HydrophobicContact CD2-CE2 4.23Å; L388-F419 HydrophobicContact CG-CD2 4.43Å; L388-A422 HydrophobicContact CD2-CB 3.93Å; L388-A422 HydrophobicContact CG-CB 3.83Å |
| 389 | T | 97.7 | Very high | 96.5 | Very high | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.3 | -49 | 178.3 | -56.2 | 0 | 0 | 0 | 0 | 111.1 | T385 K386 Y387 H393 I394 Y395 | T385-T389 PolarHBondContact O-N 3.24Å; T385-T389 VanDerWaalsContact O-N 3.15Å; T385-T389 PolarHBondContact O-OG1 3.04Å; T385-T389 VanDerWaalsContact O-OG1 3.04Å; K386-T389 WeakPolarHBondContact O-CB 3Å; K386-T389 PolarHBondContact O-N 3.31Å; Y387-T389 VanDerWaalsContact C-N 3.26Å; Y387-T389 PolarHBondContact O-N 3.32Å; T389-H393 VanDerWaalsContact O-CA 3.31Å; T389-H393 WeakPolarHBondContact O-CA 3.48Å; T389-H393 PolarHBondContact O-N 3.11Å; T389-H393 VanDerWaalsContact O-N 3.16Å; T389-I394 WeakPolarHBondContact CA-O 3.43Å; T389-I394 PolarHBondContact N-O 2.95Å; T389-I394 PolarHBondContact OG1-O 3.35Å; T389-Y395 HydrophobicContact CG2-CD1 3.8Å; T389-Y395 HydrophobicContact CG2-CE1 3.56Å; T389-Y395 HydrophobicContact CG2-CG 4.49Å |
| 390 | D | 97.3 | Very high | 96.6 | Very high | 94 Ų | 94 | 45.2 Ų | 45.2 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -74.4 | -37.6 | -172.1 | -64.8 | -15.2 | 0 | 0 | 0 | 113.5 | K386 Y387 | K386-D390 WeakPolarHBondContact CE-OD2 3.2Å; K386-D390 WeakPolarHBondContact CG-OD2 3.42Å; K386-D390 VanDerWaalsContact NZ-CG 3.28Å; K386-D390 IonicContact NZ-OD1 2.75Å; K386-D390 PolarHBondContact NZ-OD1 2.73Å; K386-D390 VanDerWaalsContact NZ-OD1 3.13Å; K386-D390 IonicContact NZ-OD2 2.82Å; K386-D390 PolarHBondContact NZ-OD2 2.64Å; K386-D390 PolarHBondContact O-N 3.4Å; Y387-D390 PolarHBondContact O-N 3.37Å |
| 391 | V | 97.9 | Very high | 96.7 | Very high | 60 Ų | 60 | 45.8 Ų | 45.8 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -97.7 | -39.1 | -173 | -178.8 | 0 | 0 | 0 | 0 | 111.6 | Y387 | Y387-V391 HydrophobicContact CD1-CB 4.38Å; Y387-V391 HydrophobicContact CD1-CG2 4.29Å; Y387-V391 HydrophobicContact CD2-CG2 3.93Å; Y387-V391 HydrophobicContact CE1-CB 4.12Å; Y387-V391 HydrophobicContact CE1-CG1 4.29Å; Y387-V391 HydrophobicContact CE1-CG2 4.14Å; Y387-V391 HydrophobicContact CE2-CG2 3.76Å; Y387-V391 HydrophobicContact CG-CG2 4.19Å; Y387-V391 WeakPolarHBondContact O-CB 3.42Å; Y387-V391 PolarHBondContact O-N 2.64Å |
| 392 | H | 98.3 | Very high | 96.8 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 12% | 0.12 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -110.6 | 0.1 | -172.6 | -65 | -75.5 | 0 | 0 | 0 | 113.5 | Y387 L388 I394 Y414 A418 D421 | Y387-H392 AromaticContact CE1-CD2 3.91Å; Y387-H392 AromaticContact CE1-NE2 3.8Å; L388-H392 CarbonylContact O-C 3.31Å; L388-H392 VanDerWaalsContact O-C 3.31Å; L388-H392 WeakPolarHBondContact O-CA 3.35Å; L388-H392 WeakPolarHBondContact O-CB 3.25Å; L388-H392 PolarHBondContact O-N 2.97Å; H392-I394 HydrophobicContact CB-CD1 3.89Å; H392-I394 HydrophobicContact CB-CG1 4.11Å; H392-I394 PolarHBondContact O-N 3.13Å; H392-I394 VanDerWaalsContact O-N 3.08Å; H392-Y414 VanDerWaalsContact CA-OH 3.31Å; H392-Y414 WeakPolarHBondContact CA-OH 3.48Å; H392-Y414 WeakPolarHBondContact CB-OH 3.15Å; H392-Y414 PolarHBondContact O-OH 3.38Å; H392-A418 HydrophobicContact CB-CB 3.83Å; H392-A418 VanDerWaalsContact CG-CB 3.5Å; H392-D421 IonicContact CD2-OD2 2.73Å; H392-D421 IonicContact CE1-OD2 3.34Å; H392-D421 PolarHBondContact CE1-OD2 2.95Å; H392-D421 IonicContact NE2-OD2 3.09Å; H392-D421 PolarHBondContact NE2-OD2 3.36Å |
| 393 | H | 98.3 | Very high | 96.9 | Very high | 37 Ų | 37 | 37.5 Ų | 37.5 | 17% | 0.171 | 18% | 0.178 | C | C | . | . | trans | 55.7 | 29.4 | -179.7 | -55.9 | -94.8 | 0 | 0 | 0 | 112.8 | D23 D25 R27 K28 V29 L388 T389 Y395 | D23-H393 IonicContact OD1-CE1 2.68Å; D23-H393 IonicContact OD1-ND1 2.79Å; D23-H393 PolarHBondContact OD1-ND1 3.02Å; D23-H393 IonicContact OD2-CE1 3.42Å; D23-H393 IonicContact OD2-CG 3.42Å; D23-H393 IonicContact OD2-ND1 3.46Å; D23-H393 PolarHBondContact OD2-ND1 3Å; D25-H393 HydrophobicContact CB-CB 4.28Å; D25-H393 WeakPolarHBondContact CB-ND1 3.48Å; D25-H393 IonicContact OD2-CD2 3.95Å; D25-H393 PolarHBondContact OD2-CD2 2.78Å; D25-H393 IonicContact OD2-CE1 3.54Å; D25-H393 IonicContact OD2-NE2 3.66Å; D25-H393 PolarHBondContact OD2-NE2 3.31Å; R27-H393 PolarHBondContact NH2-CD2 2.64Å; R27-H393 VanDerWaalsContact NH2-CD2 3.32Å; R27-H393 PolarHBondContact NH2-NE2 3.19Å; K28-H393 CarbonylContact C-O 3.54Å; K28-H393 WeakPolarHBondContact CA-O 3.46Å; K28-H393 HydrophobicContact CB-CB 3.94Å; V29-H393 PolarHBondContact N-O 2.76Å; L388-H393 PolarHBondContact O-N 2.94Å; L388-H393 VanDerWaalsContact O-N 3.1Å; T389-H393 VanDerWaalsContact O-CA 3.31Å; T389-H393 WeakPolarHBondContact O-CA 3.48Å; T389-H393 PolarHBondContact O-N 3.11Å; T389-H393 VanDerWaalsContact O-N 3.16Å; H393-Y395 HydrophobicContact CB-CE2 4.4Å; H393-Y395 VanDerWaalsContact O-CD2 3.23Å; H393-Y395 WeakPolarHBondContact O-CD2 3.13Å; H393-Y395 WeakPolarHBondContact O-CE2 3.5Å | ||
| 394 | I | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 113.2 | 177.7 | -64.3 | 167.7 | 0 | 0 | 0 | 108.5 | V29 L31 L388 T389 H392 L396 Y414 V415 A418 | V29-I394 HydrophobicContact CB-CG1 4.18Å; V29-I394 HydrophobicContact CG2-CG1 4.39Å; L31-I394 HydrophobicContact CD1-CG2 3.67Å; L31-I394 HydrophobicContact CG-CG2 4.21Å; L388-I394 CarbonylContact C-O 3.51Å; L388-I394 HydrophobicContact CB-CB 4.28Å; L388-I394 HydrophobicContact CD2-CD1 4.17Å; L388-I394 PolarHBondContact O-N 3.05Å; T389-I394 WeakPolarHBondContact CA-O 3.43Å; T389-I394 PolarHBondContact N-O 2.95Å; T389-I394 PolarHBondContact OG1-O 3.35Å; H392-I394 HydrophobicContact CB-CD1 3.89Å; H392-I394 HydrophobicContact CB-CG1 4.11Å; H392-I394 PolarHBondContact O-N 3.13Å; H392-I394 VanDerWaalsContact O-N 3.08Å; I394-L396 WeakPolarHBondContact O-CD2 3.34Å; I394-Y414 HydrophobicContact CD1-CD1 4.45Å; I394-Y414 HydrophobicContact CD1-CE1 4.06Å; I394-Y414 HydrophobicContact CG1-CE1 4.09Å; I394-V415 HydrophobicContact CD1-CB 4.35Å; I394-V415 HydrophobicContact CD1-CG1 4.31Å; I394-V415 HydrophobicContact CD1-CG2 4.09Å; I394-A418 HydrophobicContact CD1-CB 3.31Å |
| 395 | Y | 98 | Very high | 96.7 | Very high | 21 Ų | 21 | 30.8 Ų | 30.8 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 116.8 | -173.7 | -68.9 | -94.5 | 0 | 0 | 0 | 110.8 | V16 C19 F20 D23 K28 V29 L31 T389 H393 | V16-Y395 HydrophobicContact CG1-CD1 3.93Å; V16-Y395 HydrophobicContact CG1-CG 4.41Å; C19-Y395 HydrophobicContact CB-CD1 4.13Å; C19-Y395 HydrophobicContact CB-CE1 3.59Å; F20-Y395 HydrophobicContact CB-CD1 4.04Å; F20-Y395 HydrophobicContact CB-CD2 3.83Å; F20-Y395 HydrophobicContact CB-CE1 4.46Å; F20-Y395 HydrophobicContact CB-CE2 4.26Å; F20-Y395 HydrophobicContact CB-CG 3.71Å; F20-Y395 AromaticContact CD2-CD2 3.73Å; F20-Y395 HydrophobicContact CD2-CD2 3.73Å; F20-Y395 HydrophobicContact CD2-CE2 4.24Å; F20-Y395 HydrophobicContact CD2-CG 4.34Å; F20-Y395 HydrophobicContact CG-CD2 4.28Å; D23-Y395 HydrophobicContact CB-CE2 4.11Å; D23-Y395 WeakPolarHBondContact CB-OH 3.29Å; D23-Y395 VanDerWaalsContact CG-OH 3.29Å; D23-Y395 VanDerWaalsContact OD2-CE2 3.23Å; D23-Y395 WeakPolarHBondContact OD2-CE2 3.4Å; D23-Y395 PolarHBondContact OD2-OH 3.48Å; K28-Y395 HydrophobicContact CB-CE2 4.44Å; V29-Y395 PolarHBondContact O-N 3.05Å; L31-Y395 WeakPolarHBondContact CA-O 3.48Å; L31-Y395 WeakPolarHBondContact CB-O 3.43Å; L31-Y395 PolarHBondContact N-O 3.07Å; T389-Y395 HydrophobicContact CG2-CD1 3.8Å; T389-Y395 HydrophobicContact CG2-CE1 3.56Å; T389-Y395 HydrophobicContact CG2-CG 4.49Å; H393-Y395 HydrophobicContact CB-CE2 4.4Å; H393-Y395 VanDerWaalsContact O-CD2 3.23Å; H393-Y395 WeakPolarHBondContact O-CD2 3.13Å; H393-Y395 WeakPolarHBondContact O-CE2 3.5Å |
| 396 | L | 97.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | trans | -142.8 | 169.1 | 178.5 | 69 | -179.8 | 0 | 0 | 0 | 110.6 | L31 L380 T385 L388 I394 I402 F419 | L31-L396 HydrophobicContact CB-CB 4.25Å; L380-L396 HydrophobicContact CD1-CD1 4.22Å; T385-L396 HydrophobicContact CG2-CD1 3.93Å; T385-L396 HydrophobicContact CG2-CD2 4.32Å; T385-L396 HydrophobicContact CG2-CG 3.94Å; L388-L396 HydrophobicContact CB-CD2 4.07Å; L388-L396 HydrophobicContact CD1-CD1 3.93Å; L388-L396 HydrophobicContact CD1-CD2 4.12Å; I394-L396 WeakPolarHBondContact O-CD2 3.34Å; L396-I402 HydrophobicContact CB-CG2 3.83Å; L396-I402 HydrophobicContact CD1-CG2 3.71Å; L396-I402 HydrophobicContact CG-CG2 4.45Å; L396-F419 HydrophobicContact CD1-CE2 4.44Å; L396-F419 HydrophobicContact CD1-CZ 4.01Å | ||
| 397 | L | 95.1 | Very high | 96.7 | Very high | 9 Ų | 9 | 25.5 Ų | 25.5 | 5% | 0.047 | 13% | 0.128 | C | C | . | . | trans | -72.1 | 150.1 | 175.7 | -61.8 | -163.6 | 0 | 0 | 0 | 110.7 | E12 V13 T32 T385 N399 G400 R401 | E12-L397 HydrophobicContact CG-CD2 4.1Å; V13-L397 HydrophobicContact CB-CD2 4.17Å; T32-L397 HydrophobicContact CG2-CD2 4.2Å; T385-L397 WeakPolarHBondContact CG2-O 3.44Å; L397-N399 VanDerWaalsContact CB-OD1 3.25Å; L397-N399 WeakPolarHBondContact CB-OD1 3.44Å; L397-N399 PolarHBondContact O-N 2.93Å; L397-N399 VanDerWaalsContact O-N 3.14Å; L397-G400 WeakPolarHBondContact O-CA 3.35Å; L397-G400 PolarHBondContact O-N 3.22Å; L397-R401 HydrophobicContact CB-CB 4.35Å; L397-R401 HydrophobicContact CD1-CB 4.32Å; L397-R401 PolarHBondContact N-O 2.91Å | ||
| 398 | K | 94.4 | Very high | 96.5 | Very high | 108 Ų | 108 | 23.4 Ų | 23.4 | 47% | 0.47 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -29.8 | 179.7 | -70.2 | 170.1 | 168.1 | -134.8 | 0 | 113.4 | E12 E382 T385 G400 | E12-K398 VanDerWaalsContact OE1-CB 3.24Å; E12-K398 WeakPolarHBondContact OE1-CB 3.49Å; E12-K398 WeakPolarHBondContact OE1-CG 3.49Å; E12-K398 PolarHBondContact OE1-N 3.39Å; E382-K398 HydrophobicContact CG-CB 4.15Å; E382-K398 HydrophobicContact CG-CG 4.22Å; E382-K398 WeakPolarHBondContact OE1-CD 3.16Å; E382-K398 WeakPolarHBondContact OE1-CE 3.46Å; E382-K398 IonicContact OE1-NZ 3.2Å; E382-K398 PolarHBondContact OE1-NZ 3.04Å; T385-K398 PolarHBondContact OG1-O 3.38Å; K398-G400 PolarHBondContact O-N 2.95Å |
| 399 | N | 92.4 | Very high | 96.4 | Very high | 59 Ų | 59 | 27 Ų | 27 | 32% | 0.316 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.6 | 176.2 | 68.9 | 2.2 | 0 | 0 | 0 | 113.5 | F377 L397 R401 | F377-N399 HydrophobicContact CE2-CB 3.85Å; F377-N399 WeakPolarHBondContact CE2-O 3.3Å; F377-N399 HydrophobicContact CZ-CB 4.25Å; F377-N399 WeakPolarHBondContact CZ-O 3.49Å; L397-N399 VanDerWaalsContact CB-OD1 3.25Å; L397-N399 WeakPolarHBondContact CB-OD1 3.44Å; L397-N399 PolarHBondContact O-N 2.93Å; L397-N399 VanDerWaalsContact O-N 3.14Å; N399-R401 VanDerWaalsContact C-N 3.33Å; N399-R401 PolarHBondContact O-N 3.41Å; N399-R401 VanDerWaalsContact OD1-CB 3.25Å; N399-R401 WeakPolarHBondContact OD1-CB 3.26Å; N399-R401 PolarHBondContact OD1-N 3.48Å |
| 400 | G | 94.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | 80.5 | 8.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T378 L397 K398 I402 | T378-G400 WeakPolarHBondContact CB-O 3.5Å; T378-G400 VanDerWaalsContact CG2-O 3.26Å; T378-G400 WeakPolarHBondContact CG2-O 3.48Å; T378-G400 PolarHBondContact N-O 2.89Å; T378-G400 PolarHBondContact OG1-O 3.21Å; L397-G400 WeakPolarHBondContact O-CA 3.35Å; L397-G400 PolarHBondContact O-N 3.22Å; K398-G400 PolarHBondContact O-N 2.95Å; G400-I402 PolarHBondContact O-N 3.28Å | ||
| 401 | R | 95.8 | Very high | 96.3 | Very high | 20 Ų | 20 | 27 Ų | 27 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 127.1 | 171.9 | -171.1 | -156.1 | 77.8 | -172.5 | 2.4 | 110.6 | T32 P210 F375 S376 F377 L397 N399 | T32-R401 PolarHBondContact O-NH2 3.08Å; P210-R401 HydrophobicContact CB-CB 4.08Å; P210-R401 HydrophobicContact CB-CG 3.65Å; F375-R401 HydrophobicContact CB-CG 4.1Å; F375-R401 HydrophobicContact CD1-CG 4.48Å; F375-R401 HydrophobicContact CG-CG 4.43Å; S376-R401 WeakPolarHBondContact O-CA 3.01Å; F377-R401 HydrophobicContact CD2-CB 4.15Å; L397-R401 HydrophobicContact CB-CB 4.35Å; L397-R401 HydrophobicContact CD1-CB 4.32Å; L397-R401 PolarHBondContact N-O 2.91Å; N399-R401 VanDerWaalsContact C-N 3.33Å; N399-R401 PolarHBondContact O-N 3.41Å; N399-R401 VanDerWaalsContact OD1-CB 3.25Å; N399-R401 WeakPolarHBondContact OD1-CB 3.26Å; N399-R401 PolarHBondContact OD1-N 3.48Å |
| 402 | I | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 156.9 | 171.7 | 65.1 | 172.8 | 0 | 0 | 0 | 111.1 | L31 F352 F375 S376 T378 L396 G400 M404 L407 F419 | L31-I402 HydrophobicContact CB-CB 3.93Å; L31-I402 HydrophobicContact CB-CG2 3.9Å; L31-I402 HydrophobicContact CD1-CB 4.21Å; L31-I402 HydrophobicContact CD1-CG2 3.72Å; L31-I402 HydrophobicContact CG-CG2 4.45Å; L31-I402 CarbonylContact O-C 3.55Å; L31-I402 WeakPolarHBondContact O-CA 3.07Å; F352-I402 HydrophobicContact CE1-CD1 3.96Å; F375-I402 CarbonylContact C-O 3.58Å; F375-I402 VanDerWaalsContact CA-O 3.26Å; F375-I402 WeakPolarHBondContact CA-O 3.44Å; S376-I402 PolarHBondContact N-O 3.46Å; S376-I402 PolarHBondContact O-N 3.01Å; T378-I402 HydrophobicContact CG2-CB 4.47Å; T378-I402 HydrophobicContact CG2-CD1 3.69Å; T378-I402 HydrophobicContact CG2-CG1 3.75Å; T378-I402 HydrophobicContact CG2-CG2 3.99Å; L396-I402 HydrophobicContact CB-CG2 3.83Å; L396-I402 HydrophobicContact CD1-CG2 3.71Å; L396-I402 HydrophobicContact CG-CG2 4.45Å; G400-I402 PolarHBondContact O-N 3.28Å; I402-M404 HydrophobicContact CD1-SD 3.91Å; I402-M404 HydrophobicContact CG1-SD 4.21Å; I402-L407 HydrophobicContact CD1-CD1 4.35Å; I402-F419 HydrophobicContact CG2-CZ 4.36Å |
| 403 | N | 96 | Very high | 96.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 122.8 | 162.3 | 178.4 | -7.3 | 0 | 0 | 0 | 109.2 | L31 I33 A35 L374 F375 C405 G406 | L31-N403 PolarHBondContact O-N 2.59Å; I33-N403 WeakPolarHBondContact O-CB 3.46Å; I33-N403 VanDerWaalsContact O-CG 3.32Å; I33-N403 PolarHBondContact O-ND2 3.35Å; A35-N403 PolarHBondContact O-ND2 2.9Å; L374-N403 WeakPolarHBondContact CD1-OD1 3.2Å; L374-N403 WeakPolarHBondContact CG-OD1 3.46Å; L374-N403 PolarHBondContact O-OD1 3.22Å; F375-N403 HydrophobicContact CD1-CB 4.03Å; F375-N403 HydrophobicContact CE1-CB 4.04Å; N403-C405 PolarHBondContact O-N 3.33Å; N403-C405 VanDerWaalsContact OD1-CB 3.32Å; N403-C405 WeakPolarHBondContact OD1-CB 3.31Å; N403-C405 PolarHBondContact OD1-N 2.91Å; N403-G406 PolarHBondContact O-N 2.98Å |
| 404 | M | 96.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -62.8 | -27.1 | 178.7 | -66.5 | -50.7 | -53.9 | 0 | 0 | 113.1 | V345 V348 R349 F352 I368 L374 S376 I402 G406 L407 | V345-M404 HydrophobicContact CG1-CB 4.1Å; V348-M404 HydrophobicContact CG1-CB 4.08Å; V348-M404 HydrophobicContact CG1-CE 4.09Å; V348-M404 WeakPolarHBondContact CG1-O 3.3Å; R349-M404 HydrophobicContact CB-CE 4.21Å; R349-M404 HydrophobicContact CG-CE 3.56Å; R349-M404 HydrophobicContact CG-CG 3.92Å; R349-M404 HydrophobicContact CG-SD 4.12Å; F352-M404 HydrophobicContact CB-CE 4.45Å; F352-M404 HydrophobicContact CD1-CE 4.33Å; I368-M404 HydrophobicContact CG2-CE 4.46Å; L374-M404 PolarHBondContact O-N 3.42Å; S376-M404 WeakPolarHBondContact CB-SD 3.42Å; I402-M404 HydrophobicContact CD1-SD 3.91Å; I402-M404 HydrophobicContact CG1-SD 4.21Å; M404-G406 PolarHBondContact O-N 2.64Å; M404-L407 HydrophobicContact CE-CD1 3.67Å; M404-L407 WeakPolarHBondContact O-CB 3.35Å; M404-L407 PolarHBondContact O-N 3.49Å; M404-L407 VanDerWaalsContact O-N 3.16Å; M404-L407 HydrophobicContact SD-CD1 4.47Å |
| 405 | C | 95.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.007 | 15% | 0.149 | C | C | . | . | G | 310 helix | trans | -74 | -10.3 | 172.9 | -67.2 | 0 | 0 | 0 | 0 | 114.1 | Y36 R37 L374 N403 | Y36-C405 WeakPolarHBondContact CD2-SG 3.19Å; R37-C405 HydrophobicContact CB-CB 4.16Å; L374-C405 HydrophobicContact CD1-CB 4.09Å; L374-C405 VanDerWaalsContact CD1-SG 3.52Å; N403-C405 PolarHBondContact O-N 3.33Å; N403-C405 VanDerWaalsContact OD1-CB 3.32Å; N403-C405 WeakPolarHBondContact OD1-CB 3.31Å; N403-C405 PolarHBondContact OD1-N 2.91Å |
| 406 | G | 95.6 | Very high | 96.3 | Very high | 9 Ų | 9 | 26.5 Ų | 26.5 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -71.7 | -18.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | N403 M404 N411 | N403-G406 PolarHBondContact O-N 2.98Å; M404-G406 PolarHBondContact O-N 2.64Å; G406-N411 PolarHBondContact O-ND2 2.96Å |
| 407 | L | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | trans | -89.4 | 144.7 | 172.5 | -59.1 | 174.2 | 0 | 0 | 0 | 110.7 | L31 R344 V348 F352 I402 M404 N411 V415 | L31-L407 HydrophobicContact CD2-CD2 3.84Å; L31-L407 HydrophobicContact CD2-CG 4.09Å; R344-L407 PolarHBondContact NH2-O 3.35Å; R344-L407 VanDerWaalsContact NH2-O 3.13Å; V348-L407 HydrophobicContact CG2-CB 3.45Å; V348-L407 VanDerWaalsContact CG2-CB 3.45Å; F352-L407 HydrophobicContact CB-CD1 3.9Å; F352-L407 HydrophobicContact CD1-CD1 3.67Å; F352-L407 HydrophobicContact CD2-CD1 3.9Å; F352-L407 HydrophobicContact CE1-CD1 4.11Å; F352-L407 HydrophobicContact CE2-CD1 4.32Å; F352-L407 HydrophobicContact CG-CD1 3.55Å; F352-L407 HydrophobicContact CZ-CD1 4.42Å; I402-L407 HydrophobicContact CD1-CD1 4.35Å; M404-L407 HydrophobicContact CE-CD1 3.67Å; M404-L407 WeakPolarHBondContact O-CB 3.35Å; M404-L407 PolarHBondContact O-N 3.49Å; M404-L407 VanDerWaalsContact O-N 3.16Å; M404-L407 HydrophobicContact SD-CD1 4.47Å; L407-N411 WeakPolarHBondContact CA-OD1 3.42Å; L407-V415 HydrophobicContact CD2-CB 3.82Å; L407-V415 HydrophobicContact CD2-CG1 3.82Å; L407-V415 HydrophobicContact CD2-CG2 3.8Å | ||
| 408 | N | 95.7 | Very high | 96.5 | Very high | 13 Ų | 13 | 30.5 Ų | 30.5 | 7% | 0.07 | 16% | 0.162 | C | C | . | . | trans | -155.3 | 173 | 177.9 | 59.9 | 45.6 | 0 | 0 | 0 | 111.1 | D39 S410 N411 V412 | D39-N408 WeakPolarHBondContact O-CB 3.37Å; D39-N408 VanDerWaalsContact O-CG 3.27Å; D39-N408 PolarHBondContact O-ND2 3.49Å; D39-N408 WeakPolarHBondContact OD1-CA 3.47Å; D39-N408 VanDerWaalsContact OD1-CB 3.26Å; D39-N408 WeakPolarHBondContact OD1-CB 3.44Å; N408-S410 PolarHBondContact O-N 3.42Å; N408-S410 VanDerWaalsContact O-N 3.11Å; N408-S410 WeakPolarHBondContact OD1-CA 3.32Å; N408-S410 WeakPolarHBondContact OD1-CB 3.47Å; N408-S410 PolarHBondContact OD1-N 3.34Å; N408-S410 PolarHBondContact OD1-OG 2.96Å; N408-N411 PolarHBondContact N-OD1 3.17Å; N408-N411 PolarHBondContact O-N 2.96Å; N408-N411 VanDerWaalsContact O-N 3.14Å; N408-N411 PolarHBondContact O-OD1 3.15Å; N408-N411 PolarHBondContact OD1-N 3.33Å; N408-N411 PolarHBondContact OD1-OD1 3.07Å; N408-V412 VanDerWaalsContact O-CB 3.3Å; N408-V412 WeakPolarHBondContact O-CB 3.46Å; N408-V412 WeakPolarHBondContact O-CG1 3.49Å; N408-V412 PolarHBondContact O-N 3.07Å | ||
| 409 | S | 95.4 | Very high | 96.7 | Very high | 75 Ų | 75 | 25.3 Ų | 25.3 | 52% | 0.524 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.7 | -32 | -179.8 | 64.3 | 0 | 0 | 0 | 0 | 114 | D39 | D39-S409 PolarHBondContact OD1-N 3.27Å; D39-S409 WeakPolarHBondContact OD2-CB 3.2Å; D39-S409 PolarHBondContact OD2-OG 3.45Å |
| 410 | S | 95.7 | Very high | 97 | Very high | 104 Ų | 104 | 23.2 Ų | 23.2 | 73% | 0.727 | 13% | 0.128 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -23.5 | -177.6 | 75 | 0 | 0 | 0 | 0 | 114.7 | N408 | N408-S410 PolarHBondContact O-N 3.42Å; N408-S410 VanDerWaalsContact O-N 3.11Å; N408-S410 WeakPolarHBondContact OD1-CA 3.32Å; N408-S410 WeakPolarHBondContact OD1-CB 3.47Å; N408-S410 PolarHBondContact OD1-N 3.34Å; N408-S410 PolarHBondContact OD1-OG 2.96Å |
| 411 | N | 97.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 25 Ų | 25 | 11% | 0.107 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.3 | -16.6 | -171.8 | 74.3 | 12.1 | 0 | 0 | 0 | 114.9 | V29 G406 L407 N408 E413 Y414 V415 | V29-N411 HydrophobicContact CG2-CB 4.28Å; G406-N411 PolarHBondContact O-ND2 2.96Å; L407-N411 WeakPolarHBondContact CA-OD1 3.42Å; N408-N411 PolarHBondContact N-OD1 3.17Å; N408-N411 PolarHBondContact O-N 2.96Å; N408-N411 VanDerWaalsContact O-N 3.14Å; N408-N411 PolarHBondContact O-OD1 3.15Å; N408-N411 PolarHBondContact OD1-N 3.33Å; N408-N411 PolarHBondContact OD1-OD1 3.07Å; N411-E413 VanDerWaalsContact C-N 3.26Å; N411-E413 PolarHBondContact O-N 2.94Å; N411-Y414 WeakPolarHBondContact O-CB 3.44Å; N411-Y414 PolarHBondContact O-N 3.37Å; N411-V415 WeakPolarHBondContact O-CG2 3.45Å; N411-V415 PolarHBondContact O-N 3.27Å |
| 412 | V | 97.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59 | -37.2 | -172.9 | 63.1 | 0 | 0 | 0 | 0 | 112.6 | E351 F352 N408 A416 | E351-V412 HydrophobicContact CG-CG1 4.06Å; E351-V412 HydrophobicContact CG-CG2 4.16Å; E351-V412 WeakPolarHBondContact OE1-CG1 3.42Å; F352-V412 HydrophobicContact CB-CG2 3.92Å; F352-V412 HydrophobicContact CD2-CG2 3.98Å; F352-V412 HydrophobicContact CG-CG2 4.41Å; N408-V412 VanDerWaalsContact O-CB 3.3Å; N408-V412 WeakPolarHBondContact O-CB 3.46Å; N408-V412 WeakPolarHBondContact O-CG1 3.49Å; N408-V412 PolarHBondContact O-N 3.07Å; V412-A416 VanDerWaalsContact O-CB 3.32Å; V412-A416 WeakPolarHBondContact O-CB 3.36Å; V412-A416 PolarHBondContact O-N 3.16Å |
| 413 | E | 98.3 | Very high | 97.2 | Very high | 76 Ų | 76 | 25.3 Ų | 25.3 | 36% | 0.355 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 175.6 | 175.6 | 159.3 | 155.9 | 0 | 0 | 112.4 | K355 F359 N411 A416 K417 | K355-E413 IonicContact NZ-OE2 2.85Å; K355-E413 PolarHBondContact NZ-OE2 2.92Å; F359-E413 HydrophobicContact CE2-CG 3.98Å; F359-E413 HydrophobicContact CZ-CG 3.79Å; N411-E413 VanDerWaalsContact C-N 3.26Å; N411-E413 PolarHBondContact O-N 2.94Å; E413-A416 PolarHBondContact O-N 2.93Å; E413-K417 HydrophobicContact CG-CD 4.39Å; E413-K417 WeakPolarHBondContact O-CG 3.43Å; E413-K417 PolarHBondContact O-N 3.06Å; E413-K417 WeakPolarHBondContact OE1-CE 3.19Å; E413-K417 IonicContact OE1-NZ 3.88Å; E413-K417 PolarHBondContact OE1-NZ 3.37Å |
| 414 | Y | 98.5 | Very high | 97.2 | Very high | 58 Ų | 58 | 30.4 Ų | 30.4 | 23% | 0.227 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -47.5 | 177.2 | 173.1 | -121 | 0 | 0 | 0 | 111.1 | R27 V29 H392 I394 N411 A416 K417 A418 | R27-Y414 HydrophobicContact CB-CE1 3.99Å; R27-Y414 VanDerWaalsContact O-CE1 3.3Å; R27-Y414 WeakPolarHBondContact O-CE1 3.16Å; V29-Y414 HydrophobicContact CG2-CD1 4.12Å; V29-Y414 HydrophobicContact CG2-CE1 4.34Å; H392-Y414 VanDerWaalsContact CA-OH 3.31Å; H392-Y414 WeakPolarHBondContact CA-OH 3.48Å; H392-Y414 WeakPolarHBondContact CB-OH 3.15Å; H392-Y414 PolarHBondContact O-OH 3.38Å; I394-Y414 HydrophobicContact CD1-CD1 4.45Å; I394-Y414 HydrophobicContact CD1-CE1 4.06Å; I394-Y414 HydrophobicContact CG1-CE1 4.09Å; N411-Y414 WeakPolarHBondContact O-CB 3.44Å; N411-Y414 PolarHBondContact O-N 3.37Å; Y414-A416 VanDerWaalsContact C-N 3.35Å; Y414-A416 PolarHBondContact O-N 3.29Å; Y414-K417 PolarHBondContact O-N 3.23Å; Y414-A418 WeakPolarHBondContact O-CB 3.37Å; Y414-A418 PolarHBondContact O-N 2.97Å |
| 415 | V | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -41.4 | 179.5 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | V29 L31 F352 I394 L407 N411 A418 F419 | V29-V415 HydrophobicContact CB-CG2 4.34Å; V29-V415 HydrophobicContact CG1-CG2 4.03Å; V29-V415 HydrophobicContact CG2-CG2 4.06Å; L31-V415 HydrophobicContact CD1-CG1 4.12Å; F352-V415 HydrophobicContact CE2-CB 4.36Å; F352-V415 HydrophobicContact CE2-CG1 3.85Å; F352-V415 HydrophobicContact CZ-CG1 4.09Å; I394-V415 HydrophobicContact CD1-CB 4.35Å; I394-V415 HydrophobicContact CD1-CG1 4.31Å; I394-V415 HydrophobicContact CD1-CG2 4.09Å; L407-V415 HydrophobicContact CD2-CB 3.82Å; L407-V415 HydrophobicContact CD2-CG1 3.82Å; L407-V415 HydrophobicContact CD2-CG2 3.8Å; N411-V415 WeakPolarHBondContact O-CG2 3.45Å; N411-V415 PolarHBondContact O-N 3.27Å; V415-A418 PolarHBondContact O-N 3.39Å; V415-F419 HydrophobicContact CG1-CD2 3.69Å; V415-F419 HydrophobicContact CG1-CE2 3.52Å; V415-F419 HydrophobicContact CG1-CZ 4.36Å; V415-F419 WeakPolarHBondContact O-CB 3.3Å; V415-F419 WeakPolarHBondContact O-CD2 3.31Å; V415-F419 PolarHBondContact O-N 2.86Å |
| 416 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F352 K355 L356 F359 V412 E413 Y414 A418 F419 V420 | F352-A416 HydrophobicContact CD2-CB 4.23Å; F352-A416 HydrophobicContact CE2-CB 4.08Å; K355-A416 HydrophobicContact CB-CB 3.6Å; L356-A416 HydrophobicContact CD2-CB 4.16Å; L356-A416 HydrophobicContact CG-CB 4.2Å; F359-A416 HydrophobicContact CD2-CB 3.9Å; F359-A416 HydrophobicContact CE2-CB 4.1Å; V412-A416 VanDerWaalsContact O-CB 3.32Å; V412-A416 WeakPolarHBondContact O-CB 3.36Å; V412-A416 PolarHBondContact O-N 3.16Å; E413-A416 PolarHBondContact O-N 2.93Å; Y414-A416 VanDerWaalsContact C-N 3.35Å; Y414-A416 PolarHBondContact O-N 3.29Å; A416-A418 PolarHBondContact O-N 3.02Å; A416-F419 PolarHBondContact O-N 2.97Å; A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.14Å |
| 417 | K | 98.4 | Very high | 95.6 | Very high | 95 Ų | 95 | 42.2 Ų | 42.2 | 41% | 0.413 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.3 | -71.2 | 176.8 | -173.4 | 169.5 | 0 | 111.9 | F359 E413 Y414 F419 V420 D421 | F359-K417 HydrophobicContact CD1-CG 4.26Å; F359-K417 HydrophobicContact CD2-CG 3.74Å; F359-K417 HydrophobicContact CE1-CD 4.46Å; F359-K417 VanDerWaalsContact CE1-CE 3.45Å; F359-K417 HydrophobicContact CE1-CG 4.18Å; F359-K417 HydrophobicContact CE2-CD 4.41Å; F359-K417 HydrophobicContact CE2-CG 3.64Å; F359-K417 HydrophobicContact CG-CG 4.08Å; F359-K417 HydrophobicContact CZ-CD 4.22Å; F359-K417 HydrophobicContact CZ-CG 3.89Å; E413-K417 HydrophobicContact CG-CD 4.39Å; E413-K417 WeakPolarHBondContact O-CG 3.43Å; E413-K417 PolarHBondContact O-N 3.06Å; E413-K417 WeakPolarHBondContact OE1-CE 3.19Å; E413-K417 IonicContact OE1-NZ 3.88Å; E413-K417 PolarHBondContact OE1-NZ 3.37Å; Y414-K417 PolarHBondContact O-N 3.23Å; K417-F419 VanDerWaalsContact C-N 3.32Å; K417-F419 PolarHBondContact O-N 3.32Å; K417-V420 PolarHBondContact O-N 2.99Å; K417-D421 WeakPolarHBondContact O-CB 3.49Å; K417-D421 PolarHBondContact O-N 3.11Å |
| 418 | A | 98.4 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.2 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L388 H392 I394 Y414 V415 A416 D421 A422 | L388-A418 VanDerWaalsContact CD2-C 3.48Å; L388-A418 HydrophobicContact CD2-CB 3.78Å; L388-A418 VanDerWaalsContact CD2-O 3.28Å; L388-A418 WeakPolarHBondContact CD2-O 3.37Å; H392-A418 HydrophobicContact CB-CB 3.83Å; H392-A418 VanDerWaalsContact CG-CB 3.5Å; I394-A418 HydrophobicContact CD1-CB 3.31Å; Y414-A418 WeakPolarHBondContact O-CB 3.37Å; Y414-A418 PolarHBondContact O-N 2.97Å; V415-A418 PolarHBondContact O-N 3.39Å; A416-A418 PolarHBondContact O-N 3.02Å; A418-D421 PolarHBondContact O-N 3.45Å; A418-A422 WeakPolarHBondContact O-CB 3.36Å; A418-A422 PolarHBondContact O-N 2.89Å |
| 419 | F | 98.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 173.7 | -90.8 | -131.4 | 0 | 0 | 0 | 111.3 | L31 F352 L356 W365 T378 L380 L388 L396 I402 V415 A416 K417 D421 A422 L423 | L31-F419 HydrophobicContact CD1-CE2 4.43Å; F352-F419 HydrophobicContact CE1-CD1 4.49Å; F352-F419 HydrophobicContact CE1-CE1 4.22Å; F352-F419 AromaticContact CZ-CD1 3.78Å; F352-F419 HydrophobicContact CZ-CD1 3.78Å; F352-F419 HydrophobicContact CZ-CD2 4.42Å; F352-F419 AromaticContact CZ-CE1 3.76Å; F352-F419 HydrophobicContact CZ-CE1 3.76Å; F352-F419 HydrophobicContact CZ-CE2 4.4Å; F352-F419 HydrophobicContact CZ-CG 4.12Å; F352-F419 HydrophobicContact CZ-CZ 4.09Å; L356-F419 HydrophobicContact CD2-CB 3.6Å; L356-F419 HydrophobicContact CD2-CD1 4.31Å; L356-F419 HydrophobicContact CD2-CG 4.3Å; W365-F419 HydrophobicContact CH2-CD1 4.12Å; W365-F419 HydrophobicContact CZ3-CD1 4.32Å; T378-F419 HydrophobicContact CG2-CE1 3.78Å; T378-F419 HydrophobicContact CG2-CZ 4.26Å; L380-F419 HydrophobicContact CD1-CD1 3.81Å; L380-F419 HydrophobicContact CD1-CE1 3.5Å; L380-F419 VanDerWaalsContact CD1-CE1 3.5Å; L380-F419 HydrophobicContact CD1-CE2 4.35Å; L380-F419 HydrophobicContact CD1-CG 4.36Å; L380-F419 HydrophobicContact CD1-CZ 3.79Å; L380-F419 HydrophobicContact CG-CD1 4.48Å; L380-F419 HydrophobicContact CG-CE1 4.27Å; L388-F419 HydrophobicContact CD1-CD2 3.7Å; L388-F419 HydrophobicContact CD1-CE2 3.5Å; L388-F419 VanDerWaalsContact CD1-CE2 3.5Å; L388-F419 HydrophobicContact CD1-CG 4.41Å; L388-F419 HydrophobicContact CD1-CZ 4.07Å; L388-F419 HydrophobicContact CD2-CD2 3.79Å; L388-F419 HydrophobicContact CD2-CE2 4.23Å; L388-F419 HydrophobicContact CG-CD2 4.43Å; L396-F419 HydrophobicContact CD1-CE2 4.44Å; L396-F419 HydrophobicContact CD1-CZ 4.01Å; I402-F419 HydrophobicContact CG2-CZ 4.36Å; V415-F419 HydrophobicContact CG1-CD2 3.69Å; V415-F419 HydrophobicContact CG1-CE2 3.52Å; V415-F419 HydrophobicContact CG1-CZ 4.36Å; V415-F419 WeakPolarHBondContact O-CB 3.3Å; V415-F419 WeakPolarHBondContact O-CD2 3.31Å; V415-F419 PolarHBondContact O-N 2.86Å; A416-F419 PolarHBondContact O-N 2.97Å; K417-F419 VanDerWaalsContact C-N 3.32Å; K417-F419 PolarHBondContact O-N 3.32Å; F419-D421 VanDerWaalsContact C-N 3.32Å; F419-D421 PolarHBondContact O-N 3.38Å; F419-A422 PolarHBondContact O-N 3.46Å; F419-L423 WeakPolarHBondContact O-CB 3.33Å; F419-L423 VanDerWaalsContact O-CD1 3.25Å; F419-L423 WeakPolarHBondContact O-CD1 3.33Å; F419-L423 WeakPolarHBondContact O-CG 3.43Å; F419-L423 PolarHBondContact O-N 3.5Å |
| 420 | V | 97.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 44.3 Ų | 44.3 | 9% | 0.085 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 174.6 | 176.1 | 0 | 0 | 0 | 0 | 110.9 | F359 A361 A416 K417 A422 L423 L424 | F359-V420 HydrophobicContact CB-CG2 3.85Å; A361-V420 HydrophobicContact CB-CG2 3.74Å; A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.14Å; K417-V420 PolarHBondContact O-N 2.99Å; V420-A422 PolarHBondContact O-N 2.93Å; V420-L423 PolarHBondContact O-N 2.95Å; V420-L424 HydrophobicContact CG1-CD1 3.91Å; V420-L424 HydrophobicContact CG1-CG 4.48Å; V420-L424 WeakPolarHBondContact O-CG 3Å; V420-L424 PolarHBondContact O-N 2.78Å; V420-L424 VanDerWaalsContact O-N 3.11Å |
| 421 | D | 98.2 | Very high | 95.5 | Very high | 39 Ų | 39 | 40.8 Ų | 40.8 | 21% | 0.209 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.5 | -47.4 | 177.8 | -173 | 52.1 | 0 | 0 | 0 | 112.3 | Y387 H392 K417 A418 F419 L423 L424 H425 | Y387-D421 WeakPolarHBondContact CE1-OD2 3.25Å; Y387-D421 PolarHBondContact OH-OD2 3.27Å; H392-D421 IonicContact CD2-OD2 2.73Å; H392-D421 IonicContact CE1-OD2 3.34Å; H392-D421 PolarHBondContact CE1-OD2 2.95Å; H392-D421 IonicContact NE2-OD2 3.09Å; H392-D421 PolarHBondContact NE2-OD2 3.36Å; K417-D421 WeakPolarHBondContact O-CB 3.49Å; K417-D421 PolarHBondContact O-N 3.11Å; A418-D421 PolarHBondContact O-N 3.45Å; F419-D421 VanDerWaalsContact C-N 3.32Å; F419-D421 PolarHBondContact O-N 3.38Å; D421-L423 VanDerWaalsContact C-N 3.33Å; D421-L423 PolarHBondContact O-N 2.9Å; D421-L424 PolarHBondContact O-N 2.6Å; D421-H425 WeakPolarHBondContact O-CB 3.2Å; D421-H425 PolarHBondContact O-N 3.05Å; D421-H425 PolarHBondContact O-ND1 2.92Å; D421-H425 IonicContact OD1-CE1 3.8Å; D421-H425 PolarHBondContact OD1-CE1 3.14Å; D421-H425 IonicContact OD1-CG 3.13Å; D421-H425 IonicContact OD1-ND1 3.17Å; D421-H425 PolarHBondContact OD1-ND1 3.11Å |
| 422 | A | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.7 | -38.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y387 L388 A418 F419 V420 L424 A426 | Y387-A422 HydrophobicContact CD1-CB 3.68Å; Y387-A422 HydrophobicContact CE1-CB 4.29Å; Y387-A422 HydrophobicContact CG-CB 4.49Å; L388-A422 HydrophobicContact CD2-CB 3.93Å; L388-A422 HydrophobicContact CG-CB 3.83Å; A418-A422 WeakPolarHBondContact O-CB 3.36Å; A418-A422 PolarHBondContact O-N 2.89Å; F419-A422 PolarHBondContact O-N 3.46Å; V420-A422 PolarHBondContact O-N 2.93Å; A422-L424 VanDerWaalsContact C-N 3.28Å; A422-L424 PolarHBondContact O-N 3.35Å; A422-A426 VanDerWaalsContact O-CB 3.25Å; A422-A426 WeakPolarHBondContact O-CB 3.34Å; A422-A426 PolarHBondContact O-N 3.4Å |
| 423 | L | 96 | Very high | 95.2 | Very high | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.131 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -32.5 | 178 | -71 | 157.9 | 0 | 0 | 0 | 112.4 | A361 P362 W365 L380 F419 V420 D421 | A361-L423 HydrophobicContact CB-CD1 4.29Å; P362-L423 HydrophobicContact CG-CB 3.92Å; P362-L423 HydrophobicContact CG-CD1 4.36Å; W365-L423 HydrophobicContact CH2-CD1 4.13Å; W365-L423 HydrophobicContact CZ2-CD1 3.42Å; W365-L423 VanDerWaalsContact CZ2-CD1 3.42Å; W365-L423 HydrophobicContact CZ2-CD2 4.23Å; W365-L423 HydrophobicContact CZ2-CG 4.44Å; L380-L423 HydrophobicContact CD2-CD2 3.61Å; L380-L423 HydrophobicContact CD2-CG 4.08Å; F419-L423 WeakPolarHBondContact O-CB 3.33Å; F419-L423 VanDerWaalsContact O-CD1 3.25Å; F419-L423 WeakPolarHBondContact O-CD1 3.33Å; F419-L423 WeakPolarHBondContact O-CG 3.43Å; F419-L423 PolarHBondContact O-N 3.5Å; V420-L423 PolarHBondContact O-N 2.95Å; D421-L423 VanDerWaalsContact C-N 3.33Å; D421-L423 PolarHBondContact O-N 2.9Å |
| 424 | L | 95.2 | Very high | 95 | Very high | 107 Ų | 107 | 42.6 Ų | 42.6 | 56% | 0.56 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -85.5 | -32.3 | -178.8 | -65.8 | 174.1 | 0 | 0 | 0 | 112.9 | V420 D421 A422 | V420-L424 HydrophobicContact CG1-CD1 3.91Å; V420-L424 HydrophobicContact CG1-CG 4.48Å; V420-L424 WeakPolarHBondContact O-CG 3Å; V420-L424 PolarHBondContact O-N 2.78Å; V420-L424 VanDerWaalsContact O-N 3.11Å; D421-L424 PolarHBondContact O-N 2.6Å; A422-L424 VanDerWaalsContact C-N 3.28Å; A422-L424 PolarHBondContact O-N 3.35Å |
| 425 | H | 94.5 | Very high | 94.7 | Very high | 119 Ų | 119 | 41.5 Ų | 41.5 | 55% | 0.551 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -113.2 | -15.1 | -168.5 | -57.9 | 109.2 | 0 | 0 | 0 | 115.1 | Y387 D421 | Y387-H425 HydrophobicContact CE2-CB 4.31Å; D421-H425 WeakPolarHBondContact O-CB 3.2Å; D421-H425 PolarHBondContact O-N 3.05Å; D421-H425 PolarHBondContact O-ND1 2.92Å; D421-H425 IonicContact OD1-CE1 3.8Å; D421-H425 PolarHBondContact OD1-CE1 3.14Å; D421-H425 IonicContact OD1-CG 3.13Å; D421-H425 IonicContact OD1-ND1 3.17Å; D421-H425 PolarHBondContact OD1-ND1 3.11Å |
| 426 | A | 87.3 | Confident | 94.4 | Very high | 11 Ų | 11 | 44.9 Ų | 44.9 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -111.8 | 60.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q384 Y387 A422 | Q384-A426 HydrophobicContact CG-CB 4.22Å; Q384-A426 WeakPolarHBondContact CG-O 3.35Å; Y387-A426 HydrophobicContact CD1-CB 4.37Å; Y387-A426 HydrophobicContact CD2-CB 3.84Å; Y387-A426 HydrophobicContact CG-CB 3.66Å; A422-A426 VanDerWaalsContact O-CB 3.25Å; A422-A426 WeakPolarHBondContact O-CB 3.34Å; A422-A426 PolarHBondContact O-N 3.4Å | ||
| 427 | S | 72.3 | Confident | 94 | Very high | 128 Ų | 128 | 49 Ų | 49 | 90% | 0.895 | 27% | 0.268 | S | S | * | . | trans | -85.6 | 0 | 179 | 49.1 | 0 | 0 | 0 | 0 | 114.9 | K383 | K383-S427 WeakPolarHBondContact CD-O 3.31Å; K383-S427 WeakPolarHBondContact CD-OXT 3.46Å; K383-S427 PolarHBondContact NZ-O 2.7Å; K383-S427 PolarHBondContact NZ-OXT 2.85Å |
Retrieved 427 of 427 residues in 412.2 ms
(Link to these results)