| 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 | 31.3 | Very low | 69.9 | Low | 238 Ų | 238 | 106.3 Ų | 106.3 | 100% | 1.172 | 53% | 0.53 | S | S | * | . | 0 | 106.5 | 0 | -74.8 | 175.8 | -169.9 | 0 | 0 | 107.8 | K3 | M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.15Å | |||
| 2 | M | 37 | Very low | 72 | Confident | 193 Ų | 193 | 97.5 Ų | 97.5 | 95% | 0.951 | 49% | 0.486 | S | S | * | . | trans | -58.3 | 119.8 | 156 | -87.4 | -179.3 | 171 | 0 | 0 | 105.3 | G4 | M2-G4 PolarHBondContact O-N 2.62Š| ||
| 3 | K | 48.1 | Very low | 73.9 | Confident | 206 Ų | 206 | 90.1 Ų | 90.1 | 90% | 0.896 | 45% | 0.45 | S | S | * | . | trans | -48.2 | 115.9 | 167.4 | -81.2 | -179.3 | 172.9 | -179.6 | 0 | 106 | M1 I5 | M1-K3 PolarHBondContact O-N 3.22Å; M1-K3 VanDerWaalsContact O-N 3.15Å; K3-I5 PolarHBondContact O-N 3.31Å | ||
| 4 | G | 62.3 | Low | 75.5 | Confident | 42 Ų | 42 | 85.9 Ų | 85.9 | 43% | 0.433 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 137.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | M2 N6 R506 | M2-G4 PolarHBondContact O-N 2.62Å; G4-N6 PolarHBondContact O-N 2.77Å; G4-N6 VanDerWaalsContact O-N 3.16Å; G4-R506 VanDerWaalsContact CA-NH1 3.3Å |
| 5 | I | 75.1 | Confident | 77 | Confident | 73 Ų | 73 | 84.1 Ų | 84.1 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | P | Polyproline II helix | trans | -61.6 | 117.8 | 172.7 | -64.9 | 177.3 | 0 | 0 | 0 | 107.2 | K3 Q10 A115 | K3-I5 PolarHBondContact O-N 3.31Å; I5-Q10 HydrophobicContact CG2-CG 3.48Å; I5-Q10 VanDerWaalsContact CG2-CG 3.48Å; I5-A115 HydrophobicContact CD1-CB 3.77Å |
| 6 | N | 80.6 | Confident | 78.4 | Confident | 73 Ų | 73 | 78.9 Ų | 78.9 | 39% | 0.39 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -88 | 119.1 | 176 | -177.7 | -2.2 | 0 | 0 | 0 | 109.1 | G4 S8 Q9 Q10 | G4-N6 PolarHBondContact O-N 2.77Å; G4-N6 VanDerWaalsContact O-N 3.16Å; N6-S8 PolarHBondContact ND2-OG 3.21Å; N6-S8 PolarHBondContact O-N 2.99Å; N6-S8 VanDerWaalsContact O-N 3.16Å; N6-S8 PolarHBondContact OD1-N 3.37Å; N6-S8 VanDerWaalsContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 3.18Å; N6-Q9 HydrophobicContact CB-CG 4.48Å; N6-Q9 PolarHBondContact O-N 2.95Å; N6-Q9 VanDerWaalsContact O-N 3.09Å; N6-Q10 WeakPolarHBondContact O-CG 3.4Å |
| 7 | A | 81.2 | Confident | 79.5 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 2% | 0.017 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -54 | -34 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q9 Q10 I12 C116 | A7-Q9 PolarHBondContact O-N 3.04Å; A7-Q10 PolarHBondContact O-N 3.16Å; A7-I12 HydrophobicContact CB-CD1 4.31Å; A7-C116 HydrophobicContact CB-CB 4.31Å |
| 8 | S | 82.4 | Confident | 80.5 | Confident | 19 Ų | 19 | 78 Ų | 78 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -65.3 | -24.5 | -178.8 | 69.5 | 0 | 0 | 0 | 0 | 114.1 | N6 E459 Y501 | N6-S8 PolarHBondContact ND2-OG 3.21Å; N6-S8 PolarHBondContact O-N 2.99Å; N6-S8 VanDerWaalsContact O-N 3.16Å; N6-S8 PolarHBondContact OD1-N 3.37Å; N6-S8 VanDerWaalsContact OD1-N 3.14Å; N6-S8 PolarHBondContact OD1-OG 3.18Å; S8-E459 PolarHBondContact OG-OE2 3.43Å; S8-E459 VanDerWaalsContact OG-OE2 3.08Å; S8-Y501 VanDerWaalsContact CA-CE1 3.4Å |
| 9 | Q | 86.5 | Confident | 81.4 | Confident | 142 Ų | 142 | 74.7 Ų | 74.7 | 66% | 0.664 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -92.3 | -8 | -179.7 | -63.1 | 178.5 | -10.4 | 0 | 0 | 113.3 | N6 A7 | N6-Q9 HydrophobicContact CB-CG 4.48Å; N6-Q9 PolarHBondContact O-N 2.95Å; N6-Q9 VanDerWaalsContact O-N 3.09Å; A7-Q9 PolarHBondContact O-N 3.04Å |
| 10 | Q | 90.6 | Very high | 82.3 | Confident | 50 Ų | 50 | 72.4 Ų | 72.4 | 23% | 0.234 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | -7 | -172.3 | -64.7 | -53.7 | -51.5 | 0 | 0 | 114.6 | I5 N6 A7 I12 I112 | I5-Q10 HydrophobicContact CG2-CG 3.48Å; I5-Q10 VanDerWaalsContact CG2-CG 3.48Å; N6-Q10 WeakPolarHBondContact O-CG 3.4Å; A7-Q10 PolarHBondContact O-N 3.16Å; Q10-I12 HydrophobicContact CB-CD1 4.1Å; Q10-I12 HydrophobicContact CB-CG1 3.71Å; Q10-I12 PolarHBondContact O-N 3.23Å; Q10-I112 HydrophobicContact CB-CG2 3.78Å; Q10-I112 HydrophobicContact CG-CG2 3.73Å |
| 11 | K | 93.8 | Very high | 83 | Confident | 131 Ų | 131 | 73.3 Ų | 73.3 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 42.3 | -179.1 | -59.4 | -174.7 | 177.9 | -176.9 | 0 | 113.1 | A13 E14 K15 | K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 3.1Å; K11-E14 VanDerWaalsContact C-OE2 3.27Å; K11-E14 VanDerWaalsContact CA-OE2 3.23Å; K11-E14 WeakPolarHBondContact CA-OE2 3.27Å; K11-E14 HydrophobicContact CB-CB 4.35Å; K11-E14 WeakPolarHBondContact CB-OE2 3.4Å; K11-E14 PolarHBondContact O-N 3.18Å; K11-K15 WeakPolarHBondContact O-CB 3.5Å; K11-K15 WeakPolarHBondContact O-CG 3.4Å; K11-K15 PolarHBondContact O-N 2.86Å |
| 12 | I | 95.7 | Very high | 86.1 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -41.5 | -172.7 | -62.9 | 177.5 | 0 | 0 | 0 | 110.7 | A7 Q10 K15 L16 L109 I112 I113 C116 I118 A500 | A7-I12 HydrophobicContact CB-CD1 4.31Å; Q10-I12 HydrophobicContact CB-CD1 4.1Å; Q10-I12 HydrophobicContact CB-CG1 3.71Å; Q10-I12 PolarHBondContact O-N 3.23Å; I12-K15 PolarHBondContact O-N 2.85Å; I12-L16 HydrophobicContact CG2-CD1 4.05Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CB 3.36Å; I12-L16 VanDerWaalsContact O-CG 3.3Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.43Å; I12-L109 HydrophobicContact CG2-CD1 4.33Å; I12-I112 HydrophobicContact CD1-CG2 4.09Å; I12-I112 HydrophobicContact CG1-CG2 4.23Å; I12-I113 HydrophobicContact CG2-CD1 4.23Å; I12-I113 HydrophobicContact CG2-CG1 3.96Å; I12-C116 HydrophobicContact CD1-CB 4.45Å; I12-I118 HydrophobicContact CD1-CD1 3.55Å; I12-I118 HydrophobicContact CG2-CD1 4.08Å; I12-A500 HydrophobicContact CB-CB 4.29Å |
| 13 | A | 95.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.9 | -50.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K11 L16 V17 R497 | K11-A13 VanDerWaalsContact C-N 3.31Å; K11-A13 PolarHBondContact O-N 3.1Å; A13-L16 PolarHBondContact O-N 3.36Å; A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 3.44Å; A13-R497 HydrophobicContact CB-CG 4.17Å |
| 14 | E | 97.3 | Very high | 91.4 | Very high | 31 Ų | 31 | 54.4 Ų | 54.4 | 15% | 0.145 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.1 | -45.5 | 178.7 | -63 | 87.7 | 156.4 | 0 | 0 | 111.7 | K11 L16 V17 I18 L493 R497 | K11-E14 VanDerWaalsContact C-OE2 3.27Å; K11-E14 VanDerWaalsContact CA-OE2 3.23Å; K11-E14 WeakPolarHBondContact CA-OE2 3.27Å; K11-E14 HydrophobicContact CB-CB 4.35Å; K11-E14 WeakPolarHBondContact CB-OE2 3.4Å; K11-E14 PolarHBondContact O-N 3.18Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3Å; E14-V17 PolarHBondContact O-N 3.11Å; E14-I18 WeakPolarHBondContact O-CB 3.15Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.35Å; E14-I18 PolarHBondContact O-N 3.17Å; E14-L493 HydrophobicContact CG-CD1 4.25Å; E14-L493 HydrophobicContact CG-CD2 4.32Å; E14-R497 IonicContact OE1-CZ 2.8Å; E14-R497 IonicContact OE1-NE 3.22Å; E14-R497 PolarHBondContact OE1-NE 3.23Å; E14-R497 IonicContact OE1-NH2 3.96Å; E14-R497 PolarHBondContact OE1-NH2 2.8Å |
| 15 | K | 97.9 | Very high | 93 | Very high | 60 Ų | 60 | 52.4 Ų | 52.4 | 26% | 0.261 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 177.3 | -72.7 | -174.8 | 175 | -167.3 | 0 | 110.8 | K11 I12 L19 E108 L109 | K11-K15 WeakPolarHBondContact O-CB 3.5Å; K11-K15 WeakPolarHBondContact O-CG 3.4Å; K11-K15 PolarHBondContact O-N 2.86Å; I12-K15 PolarHBondContact O-N 2.85Å; K15-L19 VanDerWaalsContact O-CB 3.25Å; K15-L19 WeakPolarHBondContact O-CB 3.44Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 2.97Å; K15-E108 IonicContact NZ-OE1 2.73Å; K15-E108 PolarHBondContact NZ-OE1 3.13Å; K15-L109 HydrophobicContact CB-CD1 3.92Å; K15-L109 HydrophobicContact CB-CD2 3.94Å; K15-L109 HydrophobicContact CD-CD1 3.93Å |
| 16 | L | 98.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 176.4 | -81.6 | 174.4 | 0 | 0 | 0 | 112.4 | I12 A13 E14 N20 L109 I113 L128 L131 L135 | I12-L16 HydrophobicContact CG2-CD1 4.05Å; I12-L16 HydrophobicContact CG2-CG 4.41Å; I12-L16 WeakPolarHBondContact O-CB 3.36Å; I12-L16 VanDerWaalsContact O-CG 3.3Å; I12-L16 WeakPolarHBondContact O-CG 3.5Å; I12-L16 PolarHBondContact O-N 3.43Å; A13-L16 PolarHBondContact O-N 3.36Å; E14-L16 VanDerWaalsContact C-N 3.32Å; E14-L16 PolarHBondContact O-N 3Å; L16-N20 WeakPolarHBondContact O-CB 3.37Å; L16-N20 PolarHBondContact O-N 2.71Å; L16-N20 VanDerWaalsContact O-N 3.12Å; L16-N20 PolarHBondContact O-ND2 2.8Å; L16-L109 HydrophobicContact CD2-CD2 3.79Å; L16-L109 HydrophobicContact CG-CD2 4Å; L16-I113 HydrophobicContact CD2-CD1 4.39Å; L16-L128 HydrophobicContact CD1-CD1 3.6Å; L16-L128 HydrophobicContact CD1-CG 4.12Å; L16-L131 HydrophobicContact CB-CB 4.09Å; L16-L131 HydrophobicContact CB-CD1 4.39Å; L16-L131 HydrophobicContact CD1-CB 4.29Å; L16-L135 HydrophobicContact CD2-CB 4.43Å; L16-L135 HydrophobicContact CD2-CD2 3.84Å |
| 17 | V | 97.2 | Very high | 94.9 | Very high | 52 Ų | 52 | 46 Ų | 46 | 32% | 0.315 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.2 | -52.5 | 177.5 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | A13 E14 L19 N20 E21 L131 Y496 | A13-V17 WeakPolarHBondContact O-CG2 3.46Å; A13-V17 PolarHBondContact O-N 3.44Å; E14-V17 PolarHBondContact O-N 3.11Å; V17-L19 PolarHBondContact O-N 3.39Å; V17-N20 PolarHBondContact O-N 3.31Å; V17-E21 PolarHBondContact O-N 3.27Å; V17-L131 HydrophobicContact CG2-CD1 3.84Å; V17-L131 HydrophobicContact CG2-CD2 4.32Å; V17-Y496 HydrophobicContact CG2-CD2 4.03Å; V17-Y496 HydrophobicContact CG2-CE2 4.24Å |
| 18 | I | 97.7 | Very high | 95.7 | Very high | 90 Ų | 90 | 45.9 Ų | 45.9 | 46% | 0.462 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.3 | -45.9 | -177 | -65.9 | 165.9 | 0 | 0 | 0 | 111.1 | E14 N20 E21 R22 | E14-I18 WeakPolarHBondContact O-CB 3.15Å; E14-I18 VanDerWaalsContact O-CG1 3.29Å; E14-I18 WeakPolarHBondContact O-CG1 3.35Å; E14-I18 PolarHBondContact O-N 3.17Å; I18-N20 VanDerWaalsContact C-N 3.35Å; I18-N20 PolarHBondContact O-N 2.56Å; I18-E21 PolarHBondContact O-N 3.22Å; I18-R22 HydrophobicContact CG2-CG 4.29Å; I18-R22 VanDerWaalsContact O-CG 3.31Å; I18-R22 WeakPolarHBondContact O-CG 3.46Å; I18-R22 PolarHBondContact O-N 3.42Å |
| 19 | L | 98.5 | Very high | 96.4 | Very high | 16 Ų | 16 | 46.2 Ų | 46.2 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.2 | -30.8 | -176.6 | -66.3 | 178.9 | 0 | 0 | 0 | 112.6 | K15 V17 T23 L102 H105 I106 L109 L135 | K15-L19 VanDerWaalsContact O-CB 3.25Å; K15-L19 WeakPolarHBondContact O-CB 3.44Å; K15-L19 WeakPolarHBondContact O-CG 3.47Å; K15-L19 PolarHBondContact O-N 2.97Å; V17-L19 PolarHBondContact O-N 3.39Å; L19-T23 VanDerWaalsContact O-CB 3.26Å; L19-T23 WeakPolarHBondContact O-CB 3.22Å; L19-T23 PolarHBondContact O-N 3.26Å; L19-T23 PolarHBondContact O-OG1 3.03Å; L19-L102 HydrophobicContact CD2-CD1 3.73Å; L19-H105 HydrophobicContact CD1-CB 4.45Å; L19-H105 HydrophobicContact CD2-CB 3.81Å; L19-I106 HydrophobicContact CD1-CG1 4.24Å; L19-L109 HydrophobicContact CD1-CB 4.1Å; L19-L109 HydrophobicContact CD1-CD2 3.66Å; L19-L135 HydrophobicContact CB-CD1 3.72Å; L19-L135 HydrophobicContact CB-CD2 4.21Å; L19-L135 HydrophobicContact CD1-CD2 4.3Å |
| 20 | N | 98.2 | Very high | 96.9 | Very high | 28 Ų | 28 | 39.4 Ų | 39.4 | 15% | 0.15 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63 | -48.6 | 172.1 | -89.5 | -75.8 | 0 | 0 | 0 | 111.3 | L16 V17 I18 R22 T23 W24 L131 N134 L135 | L16-N20 WeakPolarHBondContact O-CB 3.37Å; L16-N20 PolarHBondContact O-N 2.71Å; L16-N20 VanDerWaalsContact O-N 3.12Å; L16-N20 PolarHBondContact O-ND2 2.8Å; V17-N20 PolarHBondContact O-N 3.31Å; I18-N20 VanDerWaalsContact C-N 3.35Å; I18-N20 PolarHBondContact O-N 2.56Å; N20-R22 PolarHBondContact O-N 3Å; N20-T23 PolarHBondContact O-N 2.81Å; N20-W24 PolarHBondContact O-N 2.79Å; N20-L131 PolarHBondContact ND2-O 3.17Å; N20-N134 VanDerWaalsContact OD1-C 3.25Å; N20-N134 WeakPolarHBondContact OD1-CB 3.46Å; N20-L135 WeakPolarHBondContact OD1-CA 3.49Å; N20-L135 PolarHBondContact OD1-N 2.88Å |
| 21 | E | 96.8 | Very high | 97.2 | Very high | 92 Ų | 92 | 37.7 Ų | 37.7 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.5 | -47.2 | 177 | -171.7 | -170.5 | 161.2 | 0 | 0 | 111.3 | V17 I18 T23 W24 G25 H586 | V17-E21 PolarHBondContact O-N 3.27Å; I18-E21 PolarHBondContact O-N 3.22Å; E21-T23 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 3.19Å; E21-W24 PolarHBondContact O-N 3.01Å; E21-G25 PolarHBondContact O-N 3.37Å; E21-H586 PolarHBondContact O-NE2 3.44Å |
| 22 | R | 97.9 | Very high | 97.2 | Very high | 114 Ų | 114 | 33.3 Ų | 33.3 | 43% | 0.43 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -63.1 | -39.4 | 176.4 | -65.1 | -58 | -178.7 | -169.7 | -4.1 | 112.6 | I18 N20 W24 G25 I26 L102 M588 | I18-R22 HydrophobicContact CG2-CG 4.29Å; I18-R22 VanDerWaalsContact O-CG 3.31Å; I18-R22 WeakPolarHBondContact O-CG 3.46Å; I18-R22 PolarHBondContact O-N 3.42Å; N20-R22 PolarHBondContact O-N 3Å; R22-W24 VanDerWaalsContact C-N 3.34Å; R22-W24 PolarHBondContact O-N 3.28Å; R22-G25 PolarHBondContact O-N 3.45Å; R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.62Å; R22-L102 HydrophobicContact CB-CD1 3.88Å; R22-L102 HydrophobicContact CB-CD2 4.41Å; R22-M588 VanDerWaalsContact CD-SD 3.53Å; R22-M588 PolarHBondContact NH1-SD 2.97Å |
| 23 | T | 98.5 | Very high | 97.2 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.018 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 176.6 | -60.6 | 0 | 0 | 0 | 0 | 111 | L19 N20 E21 I26 I27 | L19-T23 VanDerWaalsContact O-CB 3.26Å; L19-T23 WeakPolarHBondContact O-CB 3.22Å; L19-T23 PolarHBondContact O-N 3.26Å; L19-T23 PolarHBondContact O-OG1 3.03Å; N20-T23 PolarHBondContact O-N 2.81Å; E21-T23 VanDerWaalsContact C-N 3.35Å; E21-T23 PolarHBondContact O-N 3.19Å; T23-I26 PolarHBondContact O-N 3.18Å; T23-I27 HydrophobicContact CG2-CD1 3.85Å; T23-I27 HydrophobicContact CG2-CG1 4.45Å; T23-I27 WeakPolarHBondContact O-CB 3.4Å; T23-I27 VanDerWaalsContact O-CG1 3.23Å; T23-I27 WeakPolarHBondContact O-CG1 3.39Å; T23-I27 PolarHBondContact O-N 3.06Å |
| 24 | W | 96.4 | Very high | 97.2 | Very high | 123 Ų | 123 | 34.6 Ų | 34.6 | 47% | 0.466 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -65.5 | -40.7 | 178.3 | -160.6 | 41.2 | 0 | 0 | 0 | 112.1 | N20 E21 R22 I27 T28 F294 H586 | N20-W24 PolarHBondContact O-N 2.79Å; E21-W24 PolarHBondContact O-N 3.01Å; R22-W24 VanDerWaalsContact C-N 3.34Å; R22-W24 PolarHBondContact O-N 3.28Å; W24-I27 PolarHBondContact O-N 2.75Å; W24-T28 PolarHBondContact O-N 3.04Å; W24-T28 PolarHBondContact O-OG1 3.43Å; W24-F294 AromaticContact CD1-CE2 3.83Å; W24-F294 AromaticContact NE1-CE2 3.52Å; W24-H586 AromaticContact CD2-CD2 3.75Å; W24-H586 AromaticContact CE3-CD2 3.28Å; W24-H586 AromaticContact CE3-NE2 3.74Å; W24-H586 AromaticContact CZ3-CD2 3.79Å |
| 25 | G | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | E21 R22 T28 R29 H586 | E21-G25 PolarHBondContact O-N 3.37Å; R22-G25 PolarHBondContact O-N 3.45Å; G25-T28 WeakPolarHBondContact O-CB 3.45Å; G25-T28 PolarHBondContact O-N 2.75Å; G25-R29 WeakPolarHBondContact O-CG 3.43Å; G25-R29 PolarHBondContact O-N 2.93Å; G25-H586 WeakPolarHBondContact CA-CE1 3.5Å; G25-H586 WeakPolarHBondContact CA-ND1 3.22Å; G25-H586 PolarHBondContact N-NE2 3.38Å |
| 26 | I | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 33.8 Ų | 33.8 | 2% | 0.015 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -68.4 | -41.5 | 176.7 | -65.4 | -61 | 0 | 0 | 0 | 111.3 | R22 T23 T28 R29 L30 D98 L99 L102 M142 M588 | R22-I26 WeakPolarHBondContact O-CG1 3.29Å; R22-I26 PolarHBondContact O-N 2.62Å; T23-I26 PolarHBondContact O-N 3.18Å; I26-T28 VanDerWaalsContact C-N 3.25Å; I26-T28 PolarHBondContact O-N 2.95Å; I26-R29 PolarHBondContact O-N 2.93Å; I26-L30 HydrophobicContact CG2-CD1 4.46Å; I26-L30 HydrophobicContact CG2-CG 4.3Å; I26-L30 WeakPolarHBondContact O-CG 3.44Å; I26-L30 PolarHBondContact O-N 3.44Å; I26-D98 HydrophobicContact CD1-CB 3.72Å; I26-L99 HydrophobicContact CG2-CB 3.91Å; I26-L99 HydrophobicContact CG2-CD1 4.19Å; I26-L99 HydrophobicContact CG2-CG 4.2Å; I26-L102 HydrophobicContact CB-CD2 4.05Å; I26-L102 HydrophobicContact CG1-CD2 3.74Å; I26-M142 HydrophobicContact CB-SD 4.15Å; I26-M142 HydrophobicContact CG2-CG 4.34Å; I26-M142 HydrophobicContact CG2-SD 3.6Å; I26-M588 HydrophobicContact CD1-CE 3.82Å; I26-M588 HydrophobicContact CG1-CE 4.21Å |
| 27 | I | 98 | Very high | 96.4 | Very high | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.036 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.1 | -41.5 | 173.9 | -71.6 | 170.5 | 0 | 0 | 0 | 110.7 | T23 W24 L30 Y31 M142 L145 F294 | T23-I27 HydrophobicContact CG2-CD1 3.85Å; T23-I27 HydrophobicContact CG2-CG1 4.45Å; T23-I27 WeakPolarHBondContact O-CB 3.4Å; T23-I27 VanDerWaalsContact O-CG1 3.23Å; T23-I27 WeakPolarHBondContact O-CG1 3.39Å; T23-I27 PolarHBondContact O-N 3.06Å; W24-I27 PolarHBondContact O-N 2.75Å; I27-L30 PolarHBondContact O-N 2.89Å; I27-Y31 WeakPolarHBondContact O-CB 3.41Å; I27-Y31 PolarHBondContact O-N 3.33Å; I27-M142 HydrophobicContact CD1-CB 4.18Å; I27-M142 HydrophobicContact CG1-CB 3.78Å; I27-M142 HydrophobicContact CG1-CG 4.2Å; I27-L145 HydrophobicContact CG2-CD2 3.97Å; I27-F294 HydrophobicContact CG2-CB 3.64Å; I27-F294 HydrophobicContact CG2-CD1 3.8Å; I27-F294 HydrophobicContact CG2-CD2 3.35Å; I27-F294 HydrophobicContact CG2-CE1 4.23Å; I27-F294 HydrophobicContact CG2-CE2 3.84Å; I27-F294 HydrophobicContact CG2-CG 3.32Å; I27-F294 HydrophobicContact CG2-CZ 4.26Å |
| 28 | T | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 176.7 | -54.6 | 0 | 0 | 0 | 0 | 111.6 | W24 G25 I26 Y31 N32 F294 H586 C589 E592 | W24-T28 PolarHBondContact O-N 3.04Å; W24-T28 PolarHBondContact O-OG1 3.43Å; G25-T28 WeakPolarHBondContact O-CB 3.45Å; G25-T28 PolarHBondContact O-N 2.75Å; I26-T28 VanDerWaalsContact C-N 3.25Å; I26-T28 PolarHBondContact O-N 2.95Å; T28-Y31 WeakPolarHBondContact O-CB 3.42Å; T28-Y31 PolarHBondContact O-N 3.23Å; T28-N32 PolarHBondContact O-N 2.9Å; T28-N32 PolarHBondContact O-ND2 3.48Å; T28-F294 HydrophobicContact CG2-CZ 4.29Å; T28-F294 VanDerWaalsContact OG1-CZ 3.29Å; T28-F294 WeakPolarHBondContact OG1-CZ 3.45Å; T28-H586 HydrophobicContact CG2-CB 4.07Å; T28-C589 HydrophobicContact CG2-CB 3.77Å; T28-E592 WeakPolarHBondContact CG2-OE1 3.34Å |
| 29 | R | 96.9 | Very high | 95.5 | Very high | 25 Ų | 25 | 34.5 Ų | 34.5 | 9% | 0.094 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.8 | -43.1 | 175.6 | -69.2 | 167.6 | 65.5 | -178.6 | 3.9 | 112.4 | G25 I26 Y31 N32 I33 T95 D98 M588 C589 | G25-R29 WeakPolarHBondContact O-CG 3.43Å; G25-R29 PolarHBondContact O-N 2.93Å; I26-R29 PolarHBondContact O-N 2.93Å; R29-Y31 VanDerWaalsContact C-N 3.31Å; R29-Y31 PolarHBondContact O-N 3.46Å; R29-N32 PolarHBondContact O-N 3.21Å; R29-I33 WeakPolarHBondContact O-CG1 3.35Å; R29-I33 PolarHBondContact O-N 2.73Å; R29-T95 HydrophobicContact CB-CG2 3.63Å; R29-T95 VanDerWaalsContact CZ-OG1 3.3Å; R29-T95 PolarHBondContact NE-OG1 2.85Å; R29-T95 VanDerWaalsContact NE-OG1 3.13Å; R29-T95 PolarHBondContact NH2-OG1 3.05Å; R29-D98 IonicContact CZ-OD2 3.06Å; R29-D98 VanDerWaalsContact CZ-OD2 3.24Å; R29-D98 IonicContact NH1-OD2 2.6Å; R29-D98 PolarHBondContact NH1-OD2 3.37Å; R29-D98 IonicContact NH2-OD2 2.74Å; R29-D98 PolarHBondContact NH2-OD2 3.22Å; R29-M588 WeakPolarHBondContact CD-O 3.46Å; R29-C589 HydrophobicContact CG-CB 4.02Å |
| 30 | L | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.5 | -42.2 | 175.7 | -73.4 | -178.5 | 0 | 0 | 0 | 111.9 | I26 I27 I33 K34 T95 F96 L99 M142 L145 L146 I149 | I26-L30 HydrophobicContact CG2-CD1 4.46Å; I26-L30 HydrophobicContact CG2-CG 4.3Å; I26-L30 WeakPolarHBondContact O-CG 3.44Å; I26-L30 PolarHBondContact O-N 3.44Å; I27-L30 PolarHBondContact O-N 2.89Å; L30-I33 PolarHBondContact O-N 2.89Å; L30-K34 WeakPolarHBondContact O-CB 3.23Å; L30-K34 PolarHBondContact O-N 2.97Å; L30-T95 HydrophobicContact CD2-CG2 4.43Å; L30-F96 HydrophobicContact CD2-CD1 4.28Å; L30-F96 HydrophobicContact CD2-CE1 3.92Å; L30-L99 HydrophobicContact CD1-CD1 3.61Å; L30-L99 HydrophobicContact CD2-CD1 3.78Å; L30-L99 HydrophobicContact CG-CD1 4.06Å; L30-M142 HydrophobicContact CD1-CG 3.76Å; L30-L145 HydrophobicContact CB-CD2 3.81Å; L30-L145 HydrophobicContact CB-CG 4.2Å; L30-L145 HydrophobicContact CD1-CD2 4.48Å; L30-L146 HydrophobicContact CD1-CB 4.5Å; L30-I149 HydrophobicContact CB-CD1 4.42Å; L30-I149 HydrophobicContact CD2-CD1 3.92Å |
| 31 | Y | 96.6 | Very high | 94.2 | Very high | 13 Ų | 13 | 47.7 Ų | 47.7 | 5% | 0.051 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.4 | -46.7 | 176.2 | 173.2 | -89 | 0 | 0 | 0 | 111 | I27 T28 R29 I33 K34 K35 F294 R295 D296 E297 F549 | I27-Y31 WeakPolarHBondContact O-CB 3.41Å; I27-Y31 PolarHBondContact O-N 3.33Å; T28-Y31 WeakPolarHBondContact O-CB 3.42Å; T28-Y31 PolarHBondContact O-N 3.23Å; R29-Y31 VanDerWaalsContact C-N 3.31Å; R29-Y31 PolarHBondContact O-N 3.46Å; Y31-I33 PolarHBondContact O-N 3.35Å; Y31-K34 WeakPolarHBondContact O-CB 3.16Å; Y31-K34 PolarHBondContact O-N 3.39Å; Y31-K35 HydrophobicContact CD1-CG 4.21Å; Y31-K35 HydrophobicContact CE1-CG 3.73Å; Y31-K35 HydrophobicContact CE2-CD 4.39Å; Y31-K35 HydrophobicContact CE2-CG 4.21Å; Y31-K35 WeakPolarHBondContact O-CG 3.47Å; Y31-K35 PolarHBondContact O-N 2.89Å; Y31-K35 WeakPolarHBondContact OH-CE 3.29Å; Y31-F294 HydrophobicContact CD1-CD1 4.49Å; Y31-F294 HydrophobicContact CD1-CE1 4.18Å; Y31-F294 AromaticContact CD2-CD1 3.65Å; Y31-F294 HydrophobicContact CD2-CD1 3.65Å; Y31-F294 HydrophobicContact CD2-CE1 4.15Å; Y31-F294 HydrophobicContact CE2-CD1 4.45Å; Y31-F294 AromaticContact CG-CD1 3.65Å; Y31-F294 HydrophobicContact CG-CD1 3.65Å; Y31-F294 AromaticContact CG-CE1 3.72Å; Y31-F294 HydrophobicContact CG-CE1 3.72Å; Y31-R295 HydrophobicContact CE2-CB 4.14Å; Y31-D296 WeakPolarHBondContact CE2-OD1 3.16Å; Y31-D296 PolarHBondContact OH-OD1 3.47Å; Y31-E297 HydrophobicContact CD2-CG 3.97Å; Y31-E297 HydrophobicContact CE2-CG 3.95Å; Y31-F549 HydrophobicContact CE1-CD1 4.37Å; Y31-F549 HydrophobicContact CE1-CE1 4.16Å; Y31-F549 VanDerWaalsContact OH-CD1 3.25Å; Y31-F549 WeakPolarHBondContact OH-CD1 3.47Å |
| 32 | N | 94.3 | Very high | 93.6 | Very high | 40 Ų | 40 | 46 Ų | 46 | 21% | 0.214 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.2 | -39.5 | 178.1 | -75.5 | -27 | 0 | 0 | 0 | 112.4 | T28 R29 K34 K35 A36 C589 E592 | T28-N32 PolarHBondContact O-N 2.9Å; T28-N32 PolarHBondContact O-ND2 3.48Å; R29-N32 PolarHBondContact O-N 3.21Å; N32-K34 VanDerWaalsContact C-N 3.35Å; N32-K34 PolarHBondContact O-N 3.23Å; N32-K35 PolarHBondContact O-N 3.04Å; N32-A36 VanDerWaalsContact O-CB 3.28Å; N32-A36 WeakPolarHBondContact O-CB 3.08Å; N32-A36 PolarHBondContact O-N 3.44Å; N32-C589 PolarHBondContact ND2-SG 3.19Å; N32-E592 PolarHBondContact ND2-OE2 2.77Å; N32-E592 PolarHBondContact OD1-OE2 2.63Å |
| 33 | I | 95.1 | Very high | 93.3 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 5% | 0.051 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59 | -46.9 | 171.2 | -72.8 | 171.1 | 0 | 0 | 0 | 110.8 | R29 L30 Y31 A36 C37 Y92 T95 F96 I149 | R29-I33 WeakPolarHBondContact O-CG1 3.35Å; R29-I33 PolarHBondContact O-N 2.73Å; L30-I33 PolarHBondContact O-N 2.89Å; Y31-I33 PolarHBondContact O-N 3.35Å; I33-A36 PolarHBondContact O-N 2.97Å; I33-C37 WeakPolarHBondContact O-CB 3.46Å; I33-C37 PolarHBondContact O-N 3.42Å; I33-C37 PolarHBondContact O-SG 3.45Å; I33-C37 VanDerWaalsContact O-SG 3.35Å; I33-Y92 HydrophobicContact CB-CD1 4.17Å; I33-Y92 HydrophobicContact CB-CE1 4.16Å; I33-Y92 HydrophobicContact CD1-CD1 4.15Å; I33-Y92 HydrophobicContact CD1-CG 4.38Å; I33-Y92 HydrophobicContact CG1-CD1 3.74Å; I33-Y92 HydrophobicContact CG1-CE1 3.94Å; I33-Y92 HydrophobicContact CG1-CG 4.27Å; I33-Y92 HydrophobicContact CG2-CD1 3.57Å; I33-Y92 HydrophobicContact CG2-CE1 3.76Å; I33-T95 HydrophobicContact CD1-CG2 3.7Å; I33-F96 HydrophobicContact CD1-CE2 4.46Å; I33-F96 HydrophobicContact CG2-CZ 4.24Å; I33-I149 HydrophobicContact CG2-CD1 4.04Å; I33-I149 HydrophobicContact CG2-CG2 4.14Å |
| 34 | K | 95.4 | Very high | 92.9 | Very high | 19 Ų | 19 | 43.2 Ų | 43.2 | 8% | 0.083 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -52.4 | 178.8 | -173.6 | -175.9 | 174.5 | -66.9 | 0 | 110.9 | L30 Y31 N32 A36 C37 D38 L145 R148 I149 E297 | L30-K34 WeakPolarHBondContact O-CB 3.23Å; L30-K34 PolarHBondContact O-N 2.97Å; Y31-K34 WeakPolarHBondContact O-CB 3.16Å; Y31-K34 PolarHBondContact O-N 3.39Å; N32-K34 VanDerWaalsContact C-N 3.35Å; N32-K34 PolarHBondContact O-N 3.23Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.41Å; K34-C37 PolarHBondContact O-N 3.38Å; K34-C37 VanDerWaalsContact O-N 3.12Å; K34-D38 IonicContact NZ-OD2 2.63Å; K34-D38 PolarHBondContact NZ-OD2 2.9Å; K34-D38 VanDerWaalsContact O-CG 3.29Å; K34-D38 PolarHBondContact O-N 3.22Å; K34-L145 HydrophobicContact CD-CD1 3.92Å; K34-R148 HydrophobicContact CD-CB 4.4Å; K34-I149 HydrophobicContact CB-CG1 3.94Å; K34-I149 HydrophobicContact CG-CG1 4.31Å; K34-E297 WeakPolarHBondContact CE-OE1 3.48Å; K34-E297 WeakPolarHBondContact CE-OE2 3.26Å; K34-E297 IonicContact NZ-OE1 3.52Å; K34-E297 PolarHBondContact NZ-OE1 3.4Å; K34-E297 IonicContact NZ-OE2 2.67Å |
| 35 | K | 93.4 | Very high | 92.5 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 26% | 0.257 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 179.8 | -66 | -52.7 | -170.5 | -171.3 | 0 | 112 | Y31 N32 D38 D39 D296 E297 | Y31-K35 HydrophobicContact CD1-CG 4.21Å; Y31-K35 HydrophobicContact CE1-CG 3.73Å; Y31-K35 HydrophobicContact CE2-CD 4.39Å; Y31-K35 HydrophobicContact CE2-CG 4.21Å; Y31-K35 WeakPolarHBondContact O-CG 3.47Å; Y31-K35 PolarHBondContact O-N 2.89Å; Y31-K35 WeakPolarHBondContact OH-CE 3.29Å; N32-K35 PolarHBondContact O-N 3.04Å; K35-D38 PolarHBondContact O-N 3.07Å; K35-D39 PolarHBondContact O-N 3.48Å; K35-D39 VanDerWaalsContact O-N 3.09Å; K35-D296 WeakPolarHBondContact CE-OD2 3.49Å; K35-D296 IonicContact NZ-OD1 3.51Å; K35-D296 IonicContact NZ-OD2 2.71Å; K35-D296 PolarHBondContact NZ-OD2 3.38Å; K35-E297 IonicContact NZ-OE1 3.59Å; K35-E297 PolarHBondContact NZ-OE1 2.92Å |
| 36 | A | 91.2 | Very high | 92.2 | Very high | 15 Ų | 15 | 45.3 Ų | 45.3 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | N32 I33 K34 S42 K43 Y92 | N32-A36 VanDerWaalsContact O-CB 3.28Å; N32-A36 WeakPolarHBondContact O-CB 3.08Å; N32-A36 PolarHBondContact O-N 3.44Å; I33-A36 PolarHBondContact O-N 2.97Å; K34-A36 VanDerWaalsContact C-N 3.3Å; K34-A36 PolarHBondContact O-N 3.41Å; A36-S42 WeakPolarHBondContact CA-OG 3.37Å; A36-S42 CarbonylContact O-C 3.53Å; A36-S42 PolarHBondContact O-OG 2.93Å; A36-K43 WeakPolarHBondContact O-CA 3.48Å; A36-K43 PolarHBondContact O-N 3.28Å; A36-Y92 WeakPolarHBondContact CB-OH 3.48Å |
| 37 | C | 92.1 | Very high | 91.7 | Very high | 5 Ų | 5 | 46.1 Ų | 46.1 | 3% | 0.034 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.5 | -28.9 | 177 | -72 | 0 | 0 | 0 | 0 | 113.6 | I33 K34 K43 | I33-C37 WeakPolarHBondContact O-CB 3.46Å; I33-C37 PolarHBondContact O-N 3.42Å; I33-C37 PolarHBondContact O-SG 3.45Å; I33-C37 VanDerWaalsContact O-SG 3.35Å; K34-C37 PolarHBondContact O-N 3.38Å; K34-C37 VanDerWaalsContact O-N 3.12Å; C37-K43 WeakPolarHBondContact O-CD 3.29Å; C37-K43 PolarHBondContact O-NZ 3.02Å |
| 38 | D | 90 | Very high | 91.2 | Very high | 81 Ų | 81 | 49.6 Ų | 49.6 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -79.5 | -29.5 | 179.6 | -70.7 | -15.5 | 0 | 0 | 0 | 112.5 | K34 K35 | K34-D38 IonicContact NZ-OD2 2.63Å; K34-D38 PolarHBondContact NZ-OD2 2.9Å; K34-D38 VanDerWaalsContact O-CG 3.29Å; K34-D38 PolarHBondContact O-N 3.22Å; K35-D38 PolarHBondContact O-N 3.07Å |
| 39 | D | 87 | Confident | 90.8 | Very high | 71 Ų | 71 | 53 Ų | 53 | 38% | 0.38 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -90.8 | 119.9 | 177.8 | 166 | 39.8 | 0 | 0 | 0 | 112.2 | K35 K41 S42 K43 | K35-D39 PolarHBondContact O-N 3.48Å; K35-D39 VanDerWaalsContact O-N 3.09Å; D39-K41 PolarHBondContact O-N 3.09Å; D39-K41 PolarHBondContact OD1-N 2.73Å; D39-K41 VanDerWaalsContact OD1-N 3.1Å; D39-S42 WeakPolarHBondContact CB-OG 3.49Å; D39-S42 PolarHBondContact O-N 3.3Å; D39-S42 PolarHBondContact O-OG 3.17Å; D39-S42 WeakPolarHBondContact OD2-CB 3.39Å; D39-S42 PolarHBondContact OD2-N 3.3Å; D39-S42 VanDerWaalsContact OD2-N 3.17Å; D39-S42 PolarHBondContact OD2-OG 3.3Å; D39-K43 VanDerWaalsContact O-CB 3.29Å; D39-K43 WeakPolarHBondContact O-CB 3.36Å; D39-K43 PolarHBondContact O-N 3.24Å |
| 40 | V | 83.2 | Confident | 90.3 | Very high | 121 Ų | 121 | 62.1 Ų | 62.1 | 73% | 0.733 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | -30.1 | -178.7 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | ||
| 41 | K | 84.9 | Confident | 89.9 | Confident | 199 Ų | 199 | 68.4 Ų | 68.4 | 87% | 0.865 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -37.7 | -178.4 | -67.5 | -178.8 | 179 | 178.2 | 0 | 113.1 | D39 | D39-K41 PolarHBondContact O-N 3.09Å; D39-K41 PolarHBondContact OD1-N 2.73Å; D39-K41 VanDerWaalsContact OD1-N 3.1Å |
| 42 | S | 86 | Confident | 89.6 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -13.7 | -178.9 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | A36 D39 | A36-S42 WeakPolarHBondContact CA-OG 3.37Å; A36-S42 CarbonylContact O-C 3.53Å; A36-S42 PolarHBondContact O-OG 2.93Å; D39-S42 WeakPolarHBondContact CB-OG 3.49Å; D39-S42 PolarHBondContact O-N 3.3Å; D39-S42 PolarHBondContact O-OG 3.17Å; D39-S42 WeakPolarHBondContact OD2-CB 3.39Å; D39-S42 PolarHBondContact OD2-N 3.3Å; D39-S42 VanDerWaalsContact OD2-N 3.17Å; D39-S42 PolarHBondContact OD2-OG 3.3Å |
| 43 | K | 90.3 | Very high | 89.3 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 18% | 0.183 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -56.1 | 131 | 176.5 | -172.4 | 167.8 | -170.9 | 145.8 | 0 | 110.8 | A36 C37 D39 K45 L47 T48 D151 | A36-K43 WeakPolarHBondContact O-CA 3.48Å; A36-K43 PolarHBondContact O-N 3.28Å; C37-K43 WeakPolarHBondContact O-CD 3.29Å; C37-K43 PolarHBondContact O-NZ 3.02Å; D39-K43 VanDerWaalsContact O-CB 3.29Å; D39-K43 WeakPolarHBondContact O-CB 3.36Å; D39-K43 PolarHBondContact O-N 3.24Å; K43-K45 PolarHBondContact O-N 3.21Å; K43-K45 VanDerWaalsContact O-N 3.1Å; K43-L47 HydrophobicContact CD-CB 4.4Å; K43-L47 HydrophobicContact CG-CB 4.27Å; K43-L47 HydrophobicContact CG-CD1 4.19Å; K43-T48 HydrophobicContact CD-CG2 3.75Å; K43-T48 HydrophobicContact CG-CG2 4.21Å; K43-D151 WeakPolarHBondContact CE-OD2 3.33Å; K43-D151 IonicContact NZ-OD1 3.05Å; K43-D151 PolarHBondContact NZ-OD1 2.87Å; K43-D151 IonicContact NZ-OD2 3.79Å; K43-D151 PolarHBondContact NZ-OD2 3.34Å |
| 44 | P | 89.5 | Confident | 89 | Confident | 16 Ų | 16 | 75.2 Ų | 75.2 | 10% | 0.104 | 37% | 0.373 | C | S | . | . | trans | -50.1 | 121.9 | 174.7 | -28.7 | 33.9 | 0 | 0 | 0 | 111 | F46 L47 L89 Y92 | P44-F46 PolarHBondContact O-N 3.45Å; P44-L47 HydrophobicContact CB-CD1 4.19Å; P44-L47 HydrophobicContact CB-CG 4.33Å; P44-L47 HydrophobicContact CG-CD1 4.2Å; P44-L47 WeakPolarHBondContact O-CB 3.37Å; P44-L47 PolarHBondContact O-N 2.94Å; P44-L89 HydrophobicContact CB-CD2 3.9Å; P44-L89 HydrophobicContact CG-CD2 4.1Å; P44-Y92 HydrophobicContact CG-CE1 4.19Å; P44-Y92 HydrophobicContact CG-CE2 4.3Å | ||
| 45 | K | 89.3 | Confident | 88.7 | Confident | 156 Ų | 156 | 74.4 Ų | 74.4 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -53.1 | -34.6 | -172.9 | -66 | -178.2 | -179.3 | 176.9 | 0 | 112.9 | K43 L47 T48 E49 | K43-K45 PolarHBondContact O-N 3.21Å; K43-K45 VanDerWaalsContact O-N 3.1Å; K45-L47 PolarHBondContact O-N 3.46Å; K45-L47 VanDerWaalsContact O-N 3.07Å; K45-T48 PolarHBondContact O-N 2.93Å; K45-T48 PolarHBondContact O-OG1 3.03Å; K45-T48 VanDerWaalsContact O-OG1 3.07Å; K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.22Å; K45-E49 VanDerWaalsContact O-N 3.1Å |
| 46 | F | 90.5 | Very high | 88.6 | Confident | 11 Ų | 11 | 72.7 Ų | 72.7 | 5% | 0.048 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -55.9 | -27.3 | 177 | -49.2 | -66.4 | 0 | 0 | 0 | 113.7 | P44 L52 I56 I81 E84 M85 S88 | P44-F46 PolarHBondContact O-N 3.45Å; F46-L52 HydrophobicContact CB-CD1 3.9Å; F46-L52 HydrophobicContact CD1-CD1 4.22Å; F46-L52 VanDerWaalsContact O-CD1 3.22Å; F46-L52 WeakPolarHBondContact O-CD1 3.33Å; F46-I56 WeakPolarHBondContact O-CD1 3.2Å; F46-I81 HydrophobicContact CD1-CD1 4.03Å; F46-I81 HydrophobicContact CE1-CD1 4.13Å; F46-E84 HydrophobicContact CZ-CB 4.43Å; F46-E84 HydrophobicContact CZ-CG 4.01Å; F46-M85 HydrophobicContact CB-CE 4.21Å; F46-M85 HydrophobicContact CD1-CE 3.74Å; F46-M85 HydrophobicContact CD1-CG 3.56Å; F46-M85 HydrophobicContact CD1-SD 4.37Å; F46-M85 HydrophobicContact CD2-CG 4.21Å; F46-M85 HydrophobicContact CE1-CG 3.67Å; F46-M85 HydrophobicContact CE2-CG 4.37Å; F46-M85 HydrophobicContact CG-CE 4.2Å; F46-M85 HydrophobicContact CG-CG 3.82Å; F46-M85 HydrophobicContact CZ-CG 4.08Å; F46-S88 WeakPolarHBondContact CE2-OG 3.48Å |
| 47 | L | 88.2 | Confident | 88.6 | Confident | 20 Ų | 20 | 77.7 Ų | 77.7 | 11% | 0.105 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -81.6 | -15.2 | 179 | -60.1 | 174.7 | 0 | 0 | 0 | 113.4 | K43 P44 K45 D151 A154 V155 L158 | K43-L47 HydrophobicContact CD-CB 4.4Å; K43-L47 HydrophobicContact CG-CB 4.27Å; K43-L47 HydrophobicContact CG-CD1 4.19Å; P44-L47 HydrophobicContact CB-CD1 4.19Å; P44-L47 HydrophobicContact CB-CG 4.33Å; P44-L47 HydrophobicContact CG-CD1 4.2Å; P44-L47 WeakPolarHBondContact O-CB 3.37Å; P44-L47 PolarHBondContact O-N 2.94Å; K45-L47 PolarHBondContact O-N 3.46Å; K45-L47 VanDerWaalsContact O-N 3.07Å; L47-D151 HydrophobicContact CD1-CB 4.04Å; L47-A154 HydrophobicContact CD2-CB 3.89Å; L47-V155 HydrophobicContact CD1-CG2 3.84Å; L47-V155 HydrophobicContact CD2-CG2 4.31Å; L47-L158 HydrophobicContact CD2-CD1 3.75Å |
| 48 | T | 86.7 | Confident | 88.5 | Confident | 81 Ų | 81 | 79.1 Ų | 79.1 | 50% | 0.497 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.7 | -9.4 | -177.8 | 57 | 0 | 0 | 0 | 0 | 113.4 | K43 K45 R50 | K43-T48 HydrophobicContact CD-CG2 3.75Å; K43-T48 HydrophobicContact CG-CG2 4.21Å; K45-T48 PolarHBondContact O-N 2.93Å; K45-T48 PolarHBondContact O-OG1 3.03Å; K45-T48 VanDerWaalsContact O-OG1 3.07Å; T48-R50 PolarHBondContact O-N 2.93Å |
| 49 | E | 88.8 | Confident | 88.5 | Confident | 71 Ų | 71 | 75.4 Ų | 75.4 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | trans | -68 | 120.9 | 177.3 | -80.4 | 176.2 | -159.3 | 0 | 0 | 112.7 | K45 N51 L52 E53 | K45-E49 WeakPolarHBondContact O-CG 3.48Å; K45-E49 PolarHBondContact O-N 3.22Å; K45-E49 VanDerWaalsContact O-N 3.1Å; E49-N51 PolarHBondContact O-N 3.5Å; E49-N51 VanDerWaalsContact O-N 3.15Å; E49-L52 HydrophobicContact CB-CB 4.34Å; E49-L52 HydrophobicContact CB-CD1 4.01Å; E49-L52 HydrophobicContact CB-CG 4.14Å; E49-L52 PolarHBondContact O-N 3.27Å; E49-L52 WeakPolarHBondContact OE2-CD1 3.45Å; E49-E53 PolarHBondContact O-N 3.47Å | ||
| 50 | R | 87.3 | Confident | 88.8 | Confident | 218 Ų | 218 | 74.8 Ų | 74.8 | 82% | 0.823 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -55.2 | -34.6 | 178.1 | -67.2 | -175.1 | -178.5 | -179.4 | 1 | 113.3 | T48 L52 E53 | T48-R50 PolarHBondContact O-N 2.93Å; R50-L52 PolarHBondContact O-N 2.8Å; R50-E53 WeakPolarHBondContact O-CB 3.45Å; R50-E53 PolarHBondContact O-N 3.33Å |
| 51 | N | 88.4 | Confident | 89.2 | Confident | 131 Ų | 131 | 78 Ų | 78 | 70% | 0.701 | 37% | 0.373 | S | S | * | . | G | 310 helix | trans | -69.5 | -17.8 | -179.6 | -63.2 | -13.3 | 0 | 0 | 0 | 113.1 | E49 S77 | E49-N51 PolarHBondContact O-N 3.5Å; E49-N51 VanDerWaalsContact O-N 3.15Å; N51-S77 WeakPolarHBondContact O-CB 3.35Å; N51-S77 PolarHBondContact O-OG 3.07Å |
| 52 | L | 89.2 | Confident | 89.5 | Confident | 1 Ų | 1 | 73.7 Ų | 73.7 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -101.2 | -8.3 | 178.7 | -62.2 | 177.3 | 0 | 0 | 0 | 112.6 | F46 E49 R50 N54 A55 I56 V78 I81 M85 | F46-L52 HydrophobicContact CB-CD1 3.9Å; F46-L52 HydrophobicContact CD1-CD1 4.22Å; F46-L52 VanDerWaalsContact O-CD1 3.22Å; F46-L52 WeakPolarHBondContact O-CD1 3.33Å; E49-L52 HydrophobicContact CB-CB 4.34Å; E49-L52 HydrophobicContact CB-CD1 4.01Å; E49-L52 HydrophobicContact CB-CG 4.14Å; E49-L52 PolarHBondContact O-N 3.27Å; E49-L52 WeakPolarHBondContact OE2-CD1 3.45Å; R50-L52 PolarHBondContact O-N 2.8Å; L52-N54 VanDerWaalsContact C-N 3.32Å; L52-N54 PolarHBondContact O-N 2.89Å; L52-A55 WeakPolarHBondContact O-CA 3.5Å; L52-A55 WeakPolarHBondContact O-CB 3.36Å; L52-A55 PolarHBondContact O-N 3.32Å; L52-I56 HydrophobicContact CB-CD1 4.12Å; L52-I56 WeakPolarHBondContact O-CG1 3.43Å; L52-I56 PolarHBondContact O-N 3Å; L52-V78 HydrophobicContact CD2-CG2 3.73Å; L52-I81 HydrophobicContact CD1-CD1 4.13Å; L52-I81 HydrophobicContact CD2-CD1 4.4Å; L52-M85 HydrophobicContact CD1-CE 3.32Å; L52-M85 HydrophobicContact CD2-CE 3.73Å; L52-M85 HydrophobicContact CG-CE 4.19Å |
| 53 | E | 89.3 | Confident | 89.8 | Confident | 88 Ų | 88 | 71.7 Ų | 71.7 | 41% | 0.411 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.5 | -43.3 | -174.9 | -170.6 | -177 | 167.4 | 0 | 0 | 112.7 | E49 R50 A55 I56 K57 | E49-E53 PolarHBondContact O-N 3.47Å; R50-E53 WeakPolarHBondContact O-CB 3.45Å; R50-E53 PolarHBondContact O-N 3.33Å; E53-A55 PolarHBondContact O-N 3.47Å; E53-I56 PolarHBondContact O-N 3.48Å; E53-K57 HydrophobicContact CG-CD 4.35Å; E53-K57 WeakPolarHBondContact O-CB 3.18Å; E53-K57 WeakPolarHBondContact O-CG 3.48Å; E53-K57 PolarHBondContact O-N 3.35Å; E53-K57 WeakPolarHBondContact OE1-CE 3.41Å; E53-K57 IonicContact OE1-NZ 3.52Å; E53-K57 PolarHBondContact OE1-NZ 3.35Å |
| 54 | N | 89.3 | Confident | 89.8 | Confident | 118 Ų | 118 | 70.9 Ų | 70.9 | 63% | 0.631 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -65.4 | -38.1 | 177.3 | -77.1 | -17.5 | 0 | 0 | 0 | 112.3 | L52 T58 | L52-N54 VanDerWaalsContact C-N 3.32Å; L52-N54 PolarHBondContact O-N 2.89Å; N54-T58 WeakPolarHBondContact O-CB 3.31Å; N54-T58 PolarHBondContact O-N 3.22Å; N54-T58 VanDerWaalsContact O-N 3.14Å; N54-T58 PolarHBondContact O-OG1 3.48Å |
| 55 | A | 88.1 | Confident | 89.5 | Confident | 1 Ų | 1 | 75 Ų | 75 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 110.6 | L52 E53 K57 T58 I59 I74 F75 V78 | L52-A55 WeakPolarHBondContact O-CA 3.5Å; L52-A55 WeakPolarHBondContact O-CB 3.36Å; L52-A55 PolarHBondContact O-N 3.32Å; E53-A55 PolarHBondContact O-N 3.47Å; A55-K57 PolarHBondContact O-N 3.36Å; A55-T58 PolarHBondContact O-N 2.93Å; A55-I59 WeakPolarHBondContact O-CB 3.3Å; A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 3.5Å; A55-I74 HydrophobicContact CB-CG2 4.16Å; A55-F75 HydrophobicContact CB-CD1 4.34Å; A55-F75 HydrophobicContact CB-CE1 4.28Å; A55-V78 HydrophobicContact CB-CG2 4.37Å |
| 56 | I | 91.1 | Very high | 88.7 | Confident | 24 Ų | 24 | 68.9 Ų | 68.9 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 178.8 | -67.6 | 165.5 | 0 | 0 | 0 | 111.4 | F46 L52 E53 T58 I59 T60 A154 L158 | F46-I56 WeakPolarHBondContact O-CD1 3.2Å; L52-I56 HydrophobicContact CB-CD1 4.12Å; L52-I56 WeakPolarHBondContact O-CG1 3.43Å; L52-I56 PolarHBondContact O-N 3Å; E53-I56 PolarHBondContact O-N 3.48Å; I56-T58 VanDerWaalsContact C-N 3.28Å; I56-T58 PolarHBondContact O-N 3.08Å; I56-I59 PolarHBondContact O-N 2.92Å; I56-T60 WeakPolarHBondContact O-CB 3.33Å; I56-T60 PolarHBondContact O-N 2.8Å; I56-T60 PolarHBondContact O-OG1 3.49Å; I56-T60 VanDerWaalsContact O-OG1 3.08Å; I56-A154 HydrophobicContact CG2-CB 3.91Å; I56-L158 HydrophobicContact CD1-CD1 4.17Å; I56-L158 HydrophobicContact CG1-CD1 3.82Å; I56-L158 HydrophobicContact CG1-CD2 4.25Å; I56-L158 HydrophobicContact CG1-CG 4.24Å |
| 57 | K | 91.2 | Very high | 87.7 | Confident | 120 Ų | 120 | 72.8 Ų | 72.8 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.7 | -40.4 | 177 | -75.4 | 178 | -176 | 169.8 | 0 | 112 | E53 A55 K61 | E53-K57 HydrophobicContact CG-CD 4.35Å; E53-K57 WeakPolarHBondContact O-CB 3.18Å; E53-K57 WeakPolarHBondContact O-CG 3.48Å; E53-K57 PolarHBondContact O-N 3.35Å; E53-K57 WeakPolarHBondContact OE1-CE 3.41Å; E53-K57 IonicContact OE1-NZ 3.52Å; E53-K57 PolarHBondContact OE1-NZ 3.35Å; A55-K57 PolarHBondContact O-N 3.36Å; K57-K61 VanDerWaalsContact O-CB 3.27Å; K57-K61 WeakPolarHBondContact O-CB 3.39Å; K57-K61 PolarHBondContact O-N 3.16Å; K57-K61 VanDerWaalsContact O-N 3.11Å |
| 58 | T | 90 | Very high | 86.7 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -66.9 | -45.3 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 111.2 | N54 A55 I56 K61 K62 I74 | N54-T58 WeakPolarHBondContact O-CB 3.31Å; N54-T58 PolarHBondContact O-N 3.22Å; N54-T58 VanDerWaalsContact O-N 3.14Å; N54-T58 PolarHBondContact O-OG1 3.48Å; A55-T58 PolarHBondContact O-N 2.93Å; I56-T58 VanDerWaalsContact C-N 3.28Å; I56-T58 PolarHBondContact O-N 3.08Å; T58-K61 PolarHBondContact O-N 3.23Å; T58-K62 HydrophobicContact CG2-CD 4.46Å; T58-K62 PolarHBondContact O-N 3.32Å; T58-K62 VanDerWaalsContact O-N 3.11Å; T58-I74 HydrophobicContact CG2-CD1 4.19Å |
| 59 | I | 91.2 | Very high | 85.7 | Confident | 2 Ų | 2 | 77.4 Ų | 77.4 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -55.8 | -58 | 174.9 | -73.1 | 166.3 | 0 | 0 | 0 | 110 | A55 I56 K61 K62 F63 M66 F75 L158 | A55-I59 WeakPolarHBondContact O-CB 3.3Å; A55-I59 VanDerWaalsContact O-CG1 3.25Å; A55-I59 WeakPolarHBondContact O-CG1 3.42Å; A55-I59 PolarHBondContact O-N 3.5Å; I56-I59 PolarHBondContact O-N 2.92Å; I59-K61 VanDerWaalsContact C-N 3.27Å; I59-K61 PolarHBondContact O-N 2.88Å; I59-K62 PolarHBondContact O-N 3.15Å; I59-F63 WeakPolarHBondContact O-CA 3.25Å; I59-F63 WeakPolarHBondContact O-CB 3.49Å; I59-F63 PolarHBondContact O-N 3.3Å; I59-M66 HydrophobicContact CD1-CE 4.24Å; I59-M66 HydrophobicContact CG1-CE 3.69Å; I59-M66 HydrophobicContact CG1-SD 4.17Å; I59-M66 HydrophobicContact CG2-SD 4.43Å; I59-F75 HydrophobicContact CD1-CE1 3.98Å; I59-F75 HydrophobicContact CG1-CE1 4.05Å; I59-F75 HydrophobicContact CG1-CZ 4.12Å; I59-L158 HydrophobicContact CD1-CB 4.43Å; I59-L158 HydrophobicContact CD1-CD2 3.56Å; I59-L158 HydrophobicContact CD1-CG 3.76Å |
| 60 | T | 92.1 | Very high | 84.5 | Confident | 59 Ų | 59 | 76.8 Ų | 76.8 | 36% | 0.362 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.6 | -34.8 | -173.8 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | I56 K153 | I56-T60 WeakPolarHBondContact O-CB 3.33Å; I56-T60 PolarHBondContact O-N 2.8Å; I56-T60 PolarHBondContact O-OG1 3.49Å; I56-T60 VanDerWaalsContact O-OG1 3.08Å; T60-K153 HydrophobicContact CG2-CB 4.29Å; T60-K153 HydrophobicContact CG2-CD 4.34Å |
| 61 | K | 91.7 | Very high | 83.7 | Confident | 189 Ų | 189 | 67.1 Ų | 67.1 | 82% | 0.822 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -72.4 | -36.4 | 178.8 | -174.3 | 177.6 | 179.5 | -179.9 | 0 | 113.4 | K57 T58 I59 | K57-K61 VanDerWaalsContact O-CB 3.27Å; K57-K61 WeakPolarHBondContact O-CB 3.39Å; K57-K61 PolarHBondContact O-N 3.16Å; K57-K61 VanDerWaalsContact O-N 3.11Å; T58-K61 PolarHBondContact O-N 3.23Å; I59-K61 VanDerWaalsContact C-N 3.27Å; I59-K61 PolarHBondContact O-N 2.88Å |
| 62 | K | 91 | Very high | 82.9 | Confident | 107 Ų | 107 | 65.1 Ų | 65.1 | 47% | 0.465 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -99.3 | 1 | -178.2 | -64.7 | -173.5 | 175.8 | -178.2 | 0 | 113.6 | T58 I59 T65 | T58-K62 HydrophobicContact CG2-CD 4.46Å; T58-K62 PolarHBondContact O-N 3.32Å; T58-K62 VanDerWaalsContact O-N 3.11Å; I59-K62 PolarHBondContact O-N 3.15Å; K62-T65 WeakPolarHBondContact CB-O 3.36Å; K62-T65 CarbonylContact O-C 3.53Å; K62-T65 WeakPolarHBondContact O-CA 3.15Å; K62-T65 PolarHBondContact O-N 3.34Å; K62-T65 PolarHBondContact O-OG1 3.33Å |
| 63 | F | 93.1 | Very high | 82.4 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 7% | 0.066 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | 134.1 | -175.7 | -170.9 | -86.9 | 0 | 0 | 0 | 111.9 | I59 K153 L156 F174 G178 I181 L182 | I59-F63 WeakPolarHBondContact O-CA 3.25Å; I59-F63 WeakPolarHBondContact O-CB 3.49Å; I59-F63 PolarHBondContact O-N 3.3Å; F63-K153 HydrophobicContact CB-CB 4.33Å; F63-K153 HydrophobicContact CB-CD 4.22Å; F63-K153 HydrophobicContact CB-CG 4.4Å; F63-K153 HydrophobicContact CD1-CB 4.31Å; F63-K153 HydrophobicContact CD1-CD 4.1Å; F63-K153 HydrophobicContact CD1-CG 3.81Å; F63-K153 HydrophobicContact CD2-CB 3.92Å; F63-K153 HydrophobicContact CD2-CG 4.33Å; F63-K153 WeakPolarHBondContact CD2-O 3.48Å; F63-K153 HydrophobicContact CE1-CG 4.13Å; F63-K153 HydrophobicContact CE2-CB 4.31Å; F63-K153 WeakPolarHBondContact CE2-O 3.5Å; F63-K153 HydrophobicContact CG-CB 3.91Å; F63-K153 HydrophobicContact CG-CD 4.21Å; F63-K153 HydrophobicContact CG-CG 3.92Å; F63-L156 HydrophobicContact CE2-CB 3.98Å; F63-L156 HydrophobicContact CZ-CB 4.27Å; F63-L156 HydrophobicContact CZ-CD1 4.2Å; F63-F174 HydrophobicContact CD2-CZ 4.49Å; F63-F174 AromaticContact CE2-CE2 3.99Å; F63-F174 HydrophobicContact CE2-CE2 3.99Å; F63-F174 HydrophobicContact CE2-CZ 4.02Å; F63-G178 WeakPolarHBondContact CE1-O 2.9Å; F63-I181 HydrophobicContact CE1-CB 3.9Å; F63-I181 HydrophobicContact CE1-CG2 3.81Å; F63-I181 HydrophobicContact CZ-CB 4.32Å; F63-I181 HydrophobicContact CZ-CG2 4.29Å; F63-L182 HydrophobicContact CD1-CD2 4.25Å |
| 64 | P | 89.3 | Confident | 81.9 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 16% | 0.162 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -90.3 | -1.8 | 0.9 | 36.6 | -38.5 | 0 | 0 | 0 | 114.4 | M66 F174 L182 | P64-M66 PolarHBondContact O-N 3.23Å; P64-F174 HydrophobicContact CB-CE1 4.47Å; P64-F174 VanDerWaalsContact O-CE1 3.3Å; P64-F174 WeakPolarHBondContact O-CE1 3.45Å; P64-L182 VanDerWaalsContact CD-CD1 3.43Å; P64-L182 HydrophobicContact CG-CD1 4.35Å |
| 65 | T | 84.4 | Confident | 81.6 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 63% | 0.632 | 33% | 0.333 | S | S | * | . | trans | -71.8 | 110.9 | -178.9 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | K62 | K62-T65 WeakPolarHBondContact CB-O 3.36Å; K62-T65 CarbonylContact O-C 3.53Å; K62-T65 WeakPolarHBondContact O-CA 3.15Å; K62-T65 PolarHBondContact O-N 3.34Å; K62-T65 PolarHBondContact O-OG1 3.33Å | ||
| 66 | M | 71.6 | Confident | 81.4 | Confident | 27 Ų | 27 | 69.2 Ų | 69.2 | 13% | 0.133 | 36% | 0.361 | C | S | . | . | trans | -116.4 | 123.3 | 178.2 | -67.8 | -164.2 | 55.6 | 0 | 0 | 110.7 | I59 P64 N68 F75 G157 A161 F174 | I59-M66 HydrophobicContact CD1-CE 4.24Å; I59-M66 HydrophobicContact CG1-CE 3.69Å; I59-M66 HydrophobicContact CG1-SD 4.17Å; I59-M66 HydrophobicContact CG2-SD 4.43Å; P64-M66 PolarHBondContact O-N 3.23Å; M66-N68 WeakPolarHBondContact CE-OD1 3.38Å; M66-F75 HydrophobicContact CE-CE1 3.86Å; M66-F75 HydrophobicContact CE-CZ 3.56Å; M66-G157 VanDerWaalsContact SD-O 3.36Å; M66-A161 HydrophobicContact CE-CB 3.58Å; M66-F174 HydrophobicContact SD-CZ 4.19Å | ||
| 67 | D | 70.8 | Confident | 81.1 | Confident | 94 Ų | 94 | 69.9 Ų | 69.9 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | trans | -110.7 | 87.2 | 168.5 | -178.8 | 9.3 | 0 | 0 | 0 | 109.4 | R69 G70 S71 | D67-R69 VanDerWaalsContact C-N 3.35Å; D67-R69 PolarHBondContact OD1-N 2.7Å; D67-G70 PolarHBondContact OD1-N 3.27Å; D67-S71 VanDerWaalsContact O-CB 3.28Å; D67-S71 WeakPolarHBondContact O-CB 3.41Å; D67-S71 PolarHBondContact O-N 2.65Å; D67-S71 PolarHBondContact O-OG 3.27Å | ||
| 68 | N | 65.7 | Low | 80.9 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.048 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -31.7 | 178.8 | -73.1 | -14.8 | 0 | 0 | 0 | 111.8 | M66 S71 F75 A161 E164 | M66-N68 WeakPolarHBondContact CE-OD1 3.38Å; N68-S71 PolarHBondContact O-N 3.18Å; N68-F75 HydrophobicContact CB-CD2 4.44Å; N68-F75 WeakPolarHBondContact OD1-CD2 3.49Å; N68-F75 WeakPolarHBondContact OD1-CE2 3.39Å; N68-F75 WeakPolarHBondContact OD1-CZ 3.25Å; N68-A161 WeakPolarHBondContact ND2-CA 3.38Å; N68-E164 WeakPolarHBondContact CB-OE2 3.21Å; N68-E164 PolarHBondContact ND2-OE2 3.41Å |
| 69 | R | 65.8 | Low | 80.7 | Confident | 189 Ų | 189 | 65.8 Ų | 65.8 | 71% | 0.713 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -44.9 | 179.9 | -64.1 | -176.8 | -179.3 | -170 | -1.3 | 111.1 | D67 S71 T72 | D67-R69 VanDerWaalsContact C-N 3.35Å; D67-R69 PolarHBondContact OD1-N 2.7Å; R69-S71 VanDerWaalsContact C-N 3.29Å; R69-S71 PolarHBondContact O-N 3.37Å; R69-T72 PolarHBondContact O-OG1 2.92Å; R69-T72 VanDerWaalsContact O-OG1 3.12Å |
| 70 | G | 64.1 | Low | 80.6 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 60% | 0.598 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -17.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | D67 | D67-G70 PolarHBondContact OD1-N 3.27Š|
| 71 | S | 70.9 | Confident | 80.5 | Confident | 15 Ų | 15 | 69.8 Ų | 69.8 | 11% | 0.105 | 37% | 0.374 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 32.6 | -171.3 | -52.7 | 0 | 0 | 0 | 0 | 113.1 | D67 N68 R69 T73 I74 F75 | D67-S71 VanDerWaalsContact O-CB 3.28Å; D67-S71 WeakPolarHBondContact O-CB 3.41Å; D67-S71 PolarHBondContact O-N 2.65Å; D67-S71 PolarHBondContact O-OG 3.27Å; N68-S71 PolarHBondContact O-N 3.18Å; R69-S71 VanDerWaalsContact C-N 3.29Å; R69-S71 PolarHBondContact O-N 3.37Å; S71-T73 PolarHBondContact O-N 3.19Å; S71-T73 VanDerWaalsContact O-N 3.1Å; S71-I74 WeakPolarHBondContact O-CB 3.47Å; S71-I74 PolarHBondContact O-N 2.92Å; S71-F75 WeakPolarHBondContact O-CD2 3.41Å; S71-F75 PolarHBondContact O-N 3.24Å |
| 72 | T | 70.9 | Confident | 80.5 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 55% | 0.546 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -53 | -39.6 | -170.3 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | R69 I74 F75 Q76 | R69-T72 PolarHBondContact O-OG1 2.92Å; R69-T72 VanDerWaalsContact O-OG1 3.12Å; T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 2.61Å; T72-F75 PolarHBondContact O-N 3.32Å; T72-Q76 WeakPolarHBondContact O-CG 3.43Å; T72-Q76 PolarHBondContact O-N 2.84Å; T72-Q76 VanDerWaalsContact O-N 3.12Å |
| 73 | T | 78.7 | Confident | 80.6 | Confident | 106 Ų | 106 | 65 Ų | 65 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.8 | -31.9 | 177.4 | 44.6 | 0 | 0 | 0 | 0 | 113.7 | S71 | S71-T73 PolarHBondContact O-N 3.19Å; S71-T73 VanDerWaalsContact O-N 3.1Å |
| 74 | I | 79.8 | Confident | 80.6 | Confident | 53 Ų | 53 | 70.1 Ų | 70.1 | 27% | 0.272 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -74.1 | -34.8 | -179.7 | -62.5 | 175.7 | 0 | 0 | 0 | 110.6 | A55 T58 S71 T72 | A55-I74 HydrophobicContact CB-CG2 4.16Å; T58-I74 HydrophobicContact CG2-CD1 4.19Å; S71-I74 WeakPolarHBondContact O-CB 3.47Å; S71-I74 PolarHBondContact O-N 2.92Å; T72-I74 VanDerWaalsContact C-N 3.31Å; T72-I74 PolarHBondContact O-N 2.61Å |
| 75 | F | 83 | Confident | 80.7 | Confident | 9 Ų | 9 | 69 Ų | 69 | 4% | 0.039 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -97.7 | 4.9 | -177.3 | -65.8 | -75.4 | 0 | 0 | 0 | 114.3 | A55 I59 M66 N68 S71 T72 S77 V78 N79 A161 L165 | A55-F75 HydrophobicContact CB-CD1 4.34Å; A55-F75 HydrophobicContact CB-CE1 4.28Å; I59-F75 HydrophobicContact CD1-CE1 3.98Å; I59-F75 HydrophobicContact CG1-CE1 4.05Å; I59-F75 HydrophobicContact CG1-CZ 4.12Å; M66-F75 HydrophobicContact CE-CE1 3.86Å; M66-F75 HydrophobicContact CE-CZ 3.56Å; N68-F75 HydrophobicContact CB-CD2 4.44Å; N68-F75 WeakPolarHBondContact OD1-CD2 3.49Å; N68-F75 WeakPolarHBondContact OD1-CE2 3.39Å; N68-F75 WeakPolarHBondContact OD1-CZ 3.25Å; S71-F75 WeakPolarHBondContact O-CD2 3.41Å; S71-F75 PolarHBondContact O-N 3.24Å; T72-F75 PolarHBondContact O-N 3.32Å; F75-S77 PolarHBondContact O-N 3.5Å; F75-V78 HydrophobicContact CD1-CG2 4.1Å; F75-V78 WeakPolarHBondContact O-CB 3.46Å; F75-V78 PolarHBondContact O-N 2.9Å; F75-N79 PolarHBondContact O-N 3.25Å; F75-A161 HydrophobicContact CD1-CB 4.19Å; F75-A161 HydrophobicContact CE1-CB 3.94Å; F75-L165 HydrophobicContact CB-CD1 4.38Å |
| 76 | Q | 84.1 | Confident | 81.1 | Confident | 126 Ų | 126 | 65.4 Ų | 65.4 | 59% | 0.589 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -39 | 175.8 | -90.7 | 174.5 | 1.2 | 0 | 0 | 112.6 | T72 V78 P80 | T72-Q76 WeakPolarHBondContact O-CG 3.43Å; T72-Q76 PolarHBondContact O-N 2.84Å; T72-Q76 VanDerWaalsContact O-N 3.12Å; Q76-V78 VanDerWaalsContact C-N 3.33Å; Q76-P80 WeakPolarHBondContact O-CD 3.21Å |
| 77 | S | 84.6 | Confident | 82.2 | Confident | 38 Ų | 38 | 72.2 Ų | 72.2 | 27% | 0.266 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -23.3 | 178.3 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | N51 F75 P80 | N51-S77 WeakPolarHBondContact O-CB 3.35Å; N51-S77 PolarHBondContact O-OG 3.07Å; F75-S77 PolarHBondContact O-N 3.5Å; S77-P80 WeakPolarHBondContact O-CD 3.48Å |
| 78 | V | 85.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -37.4 | 176.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | L52 A55 F75 Q76 I81 R82 M85 L158 A162 L165 | L52-V78 HydrophobicContact CD2-CG2 3.73Å; A55-V78 HydrophobicContact CB-CG2 4.37Å; F75-V78 HydrophobicContact CD1-CG2 4.1Å; F75-V78 WeakPolarHBondContact O-CB 3.46Å; F75-V78 PolarHBondContact O-N 2.9Å; Q76-V78 VanDerWaalsContact C-N 3.33Å; V78-I81 PolarHBondContact O-N 3.22Å; V78-I81 VanDerWaalsContact O-N 3.15Å; V78-R82 PolarHBondContact O-N 3.22Å; V78-M85 HydrophobicContact CB-CE 4.41Å; V78-M85 HydrophobicContact CG1-CE 4.14Å; V78-M85 HydrophobicContact CG1-SD 3.79Å; V78-M85 HydrophobicContact CG2-CE 4.14Å; V78-L158 HydrophobicContact CG2-CD2 4.38Å; V78-A162 HydrophobicContact CG1-CB 4.29Å; V78-L165 HydrophobicContact CB-CD1 4.08Å; V78-L165 HydrophobicContact CG1-CD1 3.77Å |
| 79 | N | 86.1 | Confident | 84.5 | Confident | 69 Ų | 69 | 69.5 Ų | 69.5 | 37% | 0.369 | 37% | 0.365 | S | S | . | . | G | 310 helix | trans | -52.1 | -48 | -174.2 | -165.3 | 29.3 | 0 | 0 | 0 | 115 | F75 I81 R82 | F75-N79 PolarHBondContact O-N 3.25Å; N79-I81 VanDerWaalsContact C-N 3.29Å; N79-I81 PolarHBondContact O-N 3.29Å; N79-R82 WeakPolarHBondContact O-CD 3.42Å; N79-R82 VanDerWaalsContact O-CG 3.31Å; N79-R82 WeakPolarHBondContact O-CG 3.49Å; N79-R82 PolarHBondContact O-NH1 3.44Å; N79-R82 PolarHBondContact OD1-NH1 3.46Å |
| 80 | P | 88.2 | Confident | 85.9 | Confident | 102 Ų | 102 | 62.2 Ų | 62.2 | 66% | 0.662 | 34% | 0.343 | S | S | * | . | G | 310 helix | trans | -66 | -28.4 | -178.4 | 25.7 | -34.9 | 0 | 0 | 0 | 113.9 | Q76 S77 | Q76-P80 WeakPolarHBondContact O-CD 3.21Å; S77-P80 WeakPolarHBondContact O-CD 3.48Å |
| 81 | I | 91.4 | Very high | 87.2 | Confident | 43 Ų | 43 | 63 Ų | 63 | 22% | 0.221 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -108.1 | 7.8 | -173.9 | 57.7 | 178.7 | 0 | 0 | 0 | 113.5 | F46 L52 V78 N79 Q83 E84 M85 | F46-I81 HydrophobicContact CD1-CD1 4.03Å; F46-I81 HydrophobicContact CE1-CD1 4.13Å; L52-I81 HydrophobicContact CD1-CD1 4.13Å; L52-I81 HydrophobicContact CD2-CD1 4.4Å; V78-I81 PolarHBondContact O-N 3.22Å; V78-I81 VanDerWaalsContact O-N 3.15Å; N79-I81 VanDerWaalsContact C-N 3.29Å; N79-I81 PolarHBondContact O-N 3.29Å; I81-Q83 PolarHBondContact O-N 3.41Å; I81-E84 WeakPolarHBondContact O-CB 3.27Å; I81-E84 PolarHBondContact O-N 3.39Å; I81-E84 VanDerWaalsContact O-N 3.11Å; I81-M85 HydrophobicContact CD1-CE 3.38Å; I81-M85 HydrophobicContact CG1-CE 3.67Å; I81-M85 HydrophobicContact CG1-CG 4.35Å; I81-M85 PolarHBondContact O-N 2.69Å |
| 82 | R | 90.8 | Very high | 88.4 | Confident | 69 Ų | 69 | 63.7 Ų | 63.7 | 26% | 0.26 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.2 | -40.9 | -173.5 | 68.3 | -170.2 | -176.6 | -83.2 | 2.8 | 114.8 | V78 N79 M85 I86 A162 L165 H166 | V78-R82 PolarHBondContact O-N 3.22Å; N79-R82 WeakPolarHBondContact O-CD 3.42Å; N79-R82 VanDerWaalsContact O-CG 3.31Å; N79-R82 WeakPolarHBondContact O-CG 3.49Å; N79-R82 PolarHBondContact O-NH1 3.44Å; N79-R82 PolarHBondContact OD1-NH1 3.46Å; R82-M85 PolarHBondContact O-N 2.9Å; R82-I86 VanDerWaalsContact O-CG1 3.26Å; R82-I86 WeakPolarHBondContact O-CG1 3.41Å; R82-I86 PolarHBondContact O-N 3.44Å; R82-A162 HydrophobicContact CB-CB 4.11Å; R82-L165 PolarHBondContact NE-O 3.39Å; R82-H166 HydrophobicContact CG-CB 4.43Å |
| 83 | Q | 93 | Very high | 89.6 | Confident | 126 Ų | 126 | 59.5 Ų | 59.5 | 59% | 0.589 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -67.1 | -40.3 | 179.7 | -70.6 | -178.5 | 2.3 | 0 | 0 | 111.7 | I81 K87 H166 | I81-Q83 PolarHBondContact O-N 3.41Å; Q83-K87 PolarHBondContact O-N 3.24Å; Q83-K87 VanDerWaalsContact O-N 3.1Å; Q83-H166 PolarHBondContact NE2-CE1 3.15Å |
| 84 | E | 92.8 | Very high | 90.4 | Very high | 123 Ų | 123 | 58 Ų | 58 | 58% | 0.575 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -66 | -44.6 | 176.5 | -166.3 | -175.9 | 165.6 | 0 | 0 | 110.7 | F46 I81 I86 K87 S88 | F46-E84 HydrophobicContact CZ-CB 4.43Å; F46-E84 HydrophobicContact CZ-CG 4.01Å; I81-E84 WeakPolarHBondContact O-CB 3.27Å; I81-E84 PolarHBondContact O-N 3.39Å; I81-E84 VanDerWaalsContact O-N 3.11Å; E84-I86 PolarHBondContact O-N 3.4Å; E84-K87 PolarHBondContact O-N 3.47Å; E84-S88 PolarHBondContact O-N 2.96Å; E84-S88 PolarHBondContact O-OG 3.41Å |
| 85 | M | 91.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 175.2 | -75 | -164.6 | -176.4 | 0 | 0 | 112.8 | F46 L52 V78 I81 R82 K87 S88 L89 A162 | F46-M85 HydrophobicContact CB-CE 4.21Å; F46-M85 HydrophobicContact CD1-CE 3.74Å; F46-M85 HydrophobicContact CD1-CG 3.56Å; F46-M85 HydrophobicContact CD1-SD 4.37Å; F46-M85 HydrophobicContact CD2-CG 4.21Å; F46-M85 HydrophobicContact CE1-CG 3.67Å; F46-M85 HydrophobicContact CE2-CG 4.37Å; F46-M85 HydrophobicContact CG-CE 4.2Å; F46-M85 HydrophobicContact CG-CG 3.82Å; F46-M85 HydrophobicContact CZ-CG 4.08Å; L52-M85 HydrophobicContact CD1-CE 3.32Å; L52-M85 HydrophobicContact CD2-CE 3.73Å; L52-M85 HydrophobicContact CG-CE 4.19Å; V78-M85 HydrophobicContact CB-CE 4.41Å; V78-M85 HydrophobicContact CG1-CE 4.14Å; V78-M85 HydrophobicContact CG1-SD 3.79Å; V78-M85 HydrophobicContact CG2-CE 4.14Å; I81-M85 HydrophobicContact CD1-CE 3.38Å; I81-M85 HydrophobicContact CG1-CE 3.67Å; I81-M85 HydrophobicContact CG1-CG 4.35Å; I81-M85 PolarHBondContact O-N 2.69Å; R82-M85 PolarHBondContact O-N 2.9Å; M85-K87 VanDerWaalsContact C-N 3.32Å; M85-K87 PolarHBondContact O-N 2.92Å; M85-S88 WeakPolarHBondContact CA-OG 3.3Å; M85-S88 PolarHBondContact O-N 3.34Å; M85-S88 PolarHBondContact O-OG 2.87Å; M85-L89 WeakPolarHBondContact O-CB 3.35Å; M85-L89 WeakPolarHBondContact O-CG 3.3Å; M85-L89 PolarHBondContact O-N 3.29Å; M85-A162 HydrophobicContact CB-CB 3.98Å; M85-A162 HydrophobicContact SD-CB 4.33Å |
| 86 | I | 94.1 | Very high | 91.9 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 14% | 0.144 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -49.6 | 177 | -69.3 | 164.2 | 0 | 0 | 0 | 109.1 | R82 E84 S88 S90 Y159 A162 H166 | R82-I86 VanDerWaalsContact O-CG1 3.26Å; R82-I86 WeakPolarHBondContact O-CG1 3.41Å; R82-I86 PolarHBondContact O-N 3.44Å; E84-I86 PolarHBondContact O-N 3.4Å; I86-S88 PolarHBondContact O-N 2.94Å; I86-S90 WeakPolarHBondContact O-CA 3.49Å; I86-S90 WeakPolarHBondContact O-CB 3.4Å; I86-S90 PolarHBondContact O-N 3.15Å; I86-Y159 HydrophobicContact CB-CE2 4.42Å; I86-Y159 HydrophobicContact CG2-CE2 3.95Å; I86-Y159 WeakPolarHBondContact O-CE2 3.31Å; I86-A162 HydrophobicContact CD1-CB 4.49Å; I86-A162 HydrophobicContact CG1-CB 3.89Å; I86-H166 HydrophobicContact CD1-CB 3.66Å |
| 87 | K | 93.4 | Very high | 92.6 | Very high | 170 Ų | 170 | 50 Ų | 50 | 74% | 0.739 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.3 | -48.1 | -179.8 | -172.8 | 179.5 | 177.8 | -177.4 | 0 | 111.8 | Q83 E84 M85 S90 | Q83-K87 PolarHBondContact O-N 3.24Å; Q83-K87 VanDerWaalsContact O-N 3.1Å; E84-K87 PolarHBondContact O-N 3.47Å; M85-K87 VanDerWaalsContact C-N 3.32Å; M85-K87 PolarHBondContact O-N 2.92Å; K87-S90 PolarHBondContact O-OG 3.33Å |
| 88 | S | 90.8 | Very high | 93.2 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 33% | 0.329 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -71.6 | -36.9 | -176.1 | 60 | 0 | 0 | 0 | 0 | 114.4 | F46 E84 M85 I86 | F46-S88 WeakPolarHBondContact CE2-OG 3.48Å; E84-S88 PolarHBondContact O-N 2.96Å; E84-S88 PolarHBondContact O-OG 3.41Å; M85-S88 WeakPolarHBondContact CA-OG 3.3Å; M85-S88 PolarHBondContact O-N 3.34Å; M85-S88 PolarHBondContact O-OG 2.87Å; I86-S88 PolarHBondContact O-N 2.94Å |
| 89 | L | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -92 | -7.7 | -176.5 | -62.6 | -179.9 | 0 | 0 | 0 | 112.1 | P44 M85 L91 Y92 Y93 V155 L158 Y159 | P44-L89 HydrophobicContact CB-CD2 3.9Å; P44-L89 HydrophobicContact CG-CD2 4.1Å; M85-L89 WeakPolarHBondContact O-CB 3.35Å; M85-L89 WeakPolarHBondContact O-CG 3.3Å; M85-L89 PolarHBondContact O-N 3.29Å; L89-L91 PolarHBondContact O-N 2.88Å; L89-Y92 WeakPolarHBondContact O-CB 3.5Å; L89-Y92 PolarHBondContact O-N 3.25Å; L89-Y92 VanDerWaalsContact O-N 3.13Å; L89-Y93 PolarHBondContact O-N 3.44Å; L89-V155 HydrophobicContact CD2-CG1 4.37Å; L89-L158 HydrophobicContact CD1-CB 4.04Å; L89-Y159 HydrophobicContact CB-CD2 3.92Å |
| 90 | S | 94.6 | Very high | 94.3 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 25% | 0.252 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -53.2 | -46.9 | 179.7 | 61.1 | 0 | 0 | 0 | 0 | 113.3 | I86 K87 Y92 Y93 N94 | I86-S90 WeakPolarHBondContact O-CA 3.49Å; I86-S90 WeakPolarHBondContact O-CB 3.4Å; I86-S90 PolarHBondContact O-N 3.15Å; K87-S90 PolarHBondContact O-OG 3.33Å; S90-Y92 VanDerWaalsContact C-N 3.3Å; S90-Y92 PolarHBondContact O-N 3.44Å; S90-Y93 PolarHBondContact O-N 3.34Å; S90-N94 VanDerWaalsContact O-CB 3.31Å; S90-N94 WeakPolarHBondContact O-CB 3.3Å; S90-N94 PolarHBondContact O-N 3Å; S90-N94 PolarHBondContact O-ND2 3.2Å |
| 91 | L | 92.7 | Very high | 94.7 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60.6 | -41.6 | 179 | -179 | 63.8 | 0 | 0 | 0 | 111.6 | L89 T95 E591 | L89-L91 PolarHBondContact O-N 2.88Å; L91-T95 WeakPolarHBondContact O-CB 3.3Å; L91-T95 PolarHBondContact O-N 3.29Å; L91-T95 PolarHBondContact O-OG1 3.33Å; L91-E591 HydrophobicContact CD2-CG 4.3Å |
| 92 | Y | 94.9 | Very high | 95 | Very high | 30 Ų | 30 | 44.9 Ų | 44.9 | 12% | 0.118 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.6 | -52.1 | 177.8 | -68 | -115.2 | 0 | 0 | 0 | 109.7 | I33 A36 P44 L89 S90 N94 T95 F96 V155 | I33-Y92 HydrophobicContact CB-CD1 4.17Å; I33-Y92 HydrophobicContact CB-CE1 4.16Å; I33-Y92 HydrophobicContact CD1-CD1 4.15Å; I33-Y92 HydrophobicContact CD1-CG 4.38Å; I33-Y92 HydrophobicContact CG1-CD1 3.74Å; I33-Y92 HydrophobicContact CG1-CE1 3.94Å; I33-Y92 HydrophobicContact CG1-CG 4.27Å; I33-Y92 HydrophobicContact CG2-CD1 3.57Å; I33-Y92 HydrophobicContact CG2-CE1 3.76Å; A36-Y92 WeakPolarHBondContact CB-OH 3.48Å; P44-Y92 HydrophobicContact CG-CE1 4.19Å; P44-Y92 HydrophobicContact CG-CE2 4.3Å; L89-Y92 WeakPolarHBondContact O-CB 3.5Å; L89-Y92 PolarHBondContact O-N 3.25Å; L89-Y92 VanDerWaalsContact O-N 3.13Å; S90-Y92 VanDerWaalsContact C-N 3.3Å; S90-Y92 PolarHBondContact O-N 3.44Å; Y92-N94 PolarHBondContact O-N 3.2Å; Y92-T95 WeakPolarHBondContact O-CB 3.29Å; Y92-T95 PolarHBondContact O-N 3.31Å; Y92-F96 WeakPolarHBondContact O-CD2 3.39Å; Y92-F96 PolarHBondContact O-N 3.07Å; Y92-V155 HydrophobicContact CD1-CG1 4.29Å; Y92-V155 HydrophobicContact CG-CG1 4.24Å |
| 93 | Y | 96.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.9 | -51.8 | 180 | -172.4 | -90.3 | 0 | 0 | 0 | 112 | L89 S90 T95 F96 V97 L156 Y159 E171 F174 L177 | L89-Y93 PolarHBondContact O-N 3.44Å; S90-Y93 PolarHBondContact O-N 3.34Å; Y93-T95 VanDerWaalsContact C-N 3.28Å; Y93-T95 PolarHBondContact O-N 2.94Å; Y93-F96 PolarHBondContact O-N 2.92Å; Y93-V97 HydrophobicContact CD1-CG2 3.89Å; Y93-V97 HydrophobicContact CE1-CG2 3.5Å; Y93-V97 VanDerWaalsContact CE1-CG2 3.5Å; Y93-V97 PolarHBondContact O-N 3.12Å; Y93-L156 HydrophobicContact CD2-CD2 3.51Å; Y93-L156 HydrophobicContact CE2-CD2 3.89Å; Y93-L156 HydrophobicContact CG-CD2 4.35Å; Y93-Y159 AromaticContact CD1-CD1 3.86Å; Y93-Y159 HydrophobicContact CD1-CD1 3.86Å; Y93-Y159 AromaticContact CD1-CE1 3.48Å; Y93-Y159 HydrophobicContact CD1-CE1 3.48Å; Y93-Y159 VanDerWaalsContact CD1-CE1 3.48Å; Y93-Y159 AromaticContact CD2-CD1 3.14Å; Y93-Y159 HydrophobicContact CD2-CD1 3.14Å; Y93-Y159 AromaticContact CD2-CE1 3.71Å; Y93-Y159 HydrophobicContact CD2-CE1 3.71Å; Y93-Y159 AromaticContact CD2-CG 3.67Å; Y93-Y159 HydrophobicContact CD2-CG 3.67Å; Y93-Y159 HydrophobicContact CE1-CD1 4.23Å; Y93-Y159 AromaticContact CE1-CE1 3.85Å; Y93-Y159 HydrophobicContact CE1-CE1 3.85Å; Y93-Y159 AromaticContact CE2-CD1 3.56Å; Y93-Y159 HydrophobicContact CE2-CD1 3.56Å; Y93-Y159 HydrophobicContact CE2-CE1 4.04Å; Y93-Y159 HydrophobicContact CE2-CG 4.44Å; Y93-Y159 AromaticContact CG-CD1 3.32Å; Y93-Y159 HydrophobicContact CG-CD1 3.32Å; Y93-Y159 HydrophobicContact CG-CD2 4.36Å; Y93-Y159 AromaticContact CG-CE1 3.42Å; Y93-Y159 HydrophobicContact CG-CE1 3.42Å; Y93-Y159 VanDerWaalsContact CG-CE1 3.42Å; Y93-Y159 HydrophobicContact CG-CE2 4.45Å; Y93-Y159 AromaticContact CG-CG 3.81Å; Y93-Y159 HydrophobicContact CG-CG 3.81Å; Y93-E171 HydrophobicContact CE1-CG 3.85Å; Y93-E171 PolarHBondContact OH-OE2 2.82Å; Y93-F174 HydrophobicContact CE2-CD2 4.18Å; Y93-F174 WeakPolarHBondContact OH-CA 3.47Å; Y93-F174 WeakPolarHBondContact OH-CB 3.48Å; Y93-F174 PolarHBondContact OH-N 2.97Å; Y93-L177 HydrophobicContact CE2-CD2 4.1Å |
| 94 | N | 96.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 39.3 Ų | 39.3 | 40% | 0.396 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.9 | -32.5 | -179.8 | -67.3 | -23.9 | 0 | 0 | 0 | 112 | S90 Y92 F96 V97 D98 | S90-N94 VanDerWaalsContact O-CB 3.31Å; S90-N94 WeakPolarHBondContact O-CB 3.3Å; S90-N94 PolarHBondContact O-N 3Å; S90-N94 PolarHBondContact O-ND2 3.2Å; Y92-N94 PolarHBondContact O-N 3.2Å; N94-F96 VanDerWaalsContact C-N 3.32Å; N94-F96 PolarHBondContact O-N 3.06Å; N94-V97 PolarHBondContact O-N 3.22Å; N94-D98 WeakPolarHBondContact O-CB 3.49Å; N94-D98 PolarHBondContact O-N 2.88Å |
| 95 | T | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.012 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.3 | -40.3 | 172.4 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | R29 L30 I33 L91 Y92 Y93 L99 | R29-T95 HydrophobicContact CB-CG2 3.63Å; R29-T95 VanDerWaalsContact CZ-OG1 3.3Å; R29-T95 PolarHBondContact NE-OG1 2.85Å; R29-T95 VanDerWaalsContact NE-OG1 3.13Å; R29-T95 PolarHBondContact NH2-OG1 3.05Å; L30-T95 HydrophobicContact CD2-CG2 4.43Å; I33-T95 HydrophobicContact CD1-CG2 3.7Å; L91-T95 WeakPolarHBondContact O-CB 3.3Å; L91-T95 PolarHBondContact O-N 3.29Å; L91-T95 PolarHBondContact O-OG1 3.33Å; Y92-T95 WeakPolarHBondContact O-CB 3.29Å; Y92-T95 PolarHBondContact O-N 3.31Å; Y93-T95 VanDerWaalsContact C-N 3.28Å; Y93-T95 PolarHBondContact O-N 2.94Å; T95-L99 WeakPolarHBondContact O-CB 3.4Å; T95-L99 PolarHBondContact O-N 2.96Å |
| 96 | F | 97.8 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -72 | -32.2 | 176.8 | -67.2 | -66.4 | 0 | 0 | 0 | 112.4 | L30 I33 Y92 Y93 N94 M100 L146 I149 R152 V155 L156 L177 | L30-F96 HydrophobicContact CD2-CD1 4.28Å; L30-F96 HydrophobicContact CD2-CE1 3.92Å; I33-F96 HydrophobicContact CD1-CE2 4.46Å; I33-F96 HydrophobicContact CG2-CZ 4.24Å; Y92-F96 WeakPolarHBondContact O-CD2 3.39Å; Y92-F96 PolarHBondContact O-N 3.07Å; Y93-F96 PolarHBondContact O-N 2.92Å; N94-F96 VanDerWaalsContact C-N 3.32Å; N94-F96 PolarHBondContact O-N 3.06Å; F96-M100 PolarHBondContact O-N 3.46Å; F96-M100 VanDerWaalsContact O-N 3.1Å; F96-L146 HydrophobicContact CD1-CD1 3.65Å; F96-L146 HydrophobicContact CE1-CD1 3.41Å; F96-L146 VanDerWaalsContact CE1-CD1 3.41Å; F96-I149 HydrophobicContact CE1-CD1 4.07Å; F96-I149 HydrophobicContact CZ-CD1 4.08Å; F96-R152 HydrophobicContact CE1-CB 4.48Å; F96-R152 HydrophobicContact CZ-CB 4.21Å; F96-V155 HydrophobicContact CE2-CG1 4.47Å; F96-L156 HydrophobicContact CB-CD2 3.99Å; F96-L156 HydrophobicContact CD2-CD1 4.45Å; F96-L156 HydrophobicContact CD2-CD2 3.59Å; F96-L156 HydrophobicContact CD2-CG 4.11Å; F96-L156 HydrophobicContact CE2-CD2 4.41Å; F96-L156 HydrophobicContact CG-CD1 4.45Å; F96-L156 HydrophobicContact CG-CD2 4.05Å; F96-L177 HydrophobicContact CB-CD1 3.95Å; F96-L177 HydrophobicContact CB-CD2 3.9Å; F96-L177 HydrophobicContact CB-CG 4.44Å; F96-L177 VanDerWaalsContact O-CD1 3.25Å; F96-L177 WeakPolarHBondContact O-CD1 3.2Å |
| 97 | V | 97.6 | Very high | 96.3 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 11% | 0.109 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65 | -50.1 | 171.1 | 176.9 | 0 | 0 | 0 | 0 | 110.7 | Y93 N94 L99 M100 D101 C173 L177 | Y93-V97 HydrophobicContact CD1-CG2 3.89Å; Y93-V97 HydrophobicContact CE1-CG2 3.5Å; Y93-V97 VanDerWaalsContact CE1-CG2 3.5Å; Y93-V97 PolarHBondContact O-N 3.12Å; N94-V97 PolarHBondContact O-N 3.22Å; V97-L99 PolarHBondContact O-N 2.84Å; V97-M100 WeakPolarHBondContact O-CB 3.43Å; V97-M100 PolarHBondContact O-N 2.7Å; V97-D101 PolarHBondContact O-N 2.79Å; V97-C173 HydrophobicContact CG2-CB 4.18Å; V97-L177 HydrophobicContact CG2-CD2 4.14Å |
| 98 | D | 97.5 | Very high | 96.5 | Very high | 64 Ų | 64 | 34.9 Ų | 34.9 | 34% | 0.342 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.2 | -36.3 | 177.7 | -64.7 | -28.1 | 0 | 0 | 0 | 111.8 | I26 R29 N94 L102 | I26-D98 HydrophobicContact CD1-CB 3.72Å; R29-D98 IonicContact CZ-OD2 3.06Å; R29-D98 VanDerWaalsContact CZ-OD2 3.24Å; R29-D98 IonicContact NH1-OD2 2.6Å; R29-D98 PolarHBondContact NH1-OD2 3.37Å; R29-D98 IonicContact NH2-OD2 2.74Å; R29-D98 PolarHBondContact NH2-OD2 3.22Å; N94-D98 WeakPolarHBondContact O-CB 3.49Å; N94-D98 PolarHBondContact O-N 2.88Å; D98-L102 VanDerWaalsContact O-CB 3.23Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 PolarHBondContact O-N 2.93Å |
| 99 | L | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.2 | -44.2 | 174 | 178.6 | 160.1 | 0 | 0 | 0 | 112.2 | I26 L30 T95 V97 L102 K103 M142 M143 L146 M180 | I26-L99 HydrophobicContact CG2-CB 3.91Å; I26-L99 HydrophobicContact CG2-CD1 4.19Å; I26-L99 HydrophobicContact CG2-CG 4.2Å; L30-L99 HydrophobicContact CD1-CD1 3.61Å; L30-L99 HydrophobicContact CD2-CD1 3.78Å; L30-L99 HydrophobicContact CG-CD1 4.06Å; T95-L99 WeakPolarHBondContact O-CB 3.4Å; T95-L99 PolarHBondContact O-N 2.96Å; V97-L99 PolarHBondContact O-N 2.84Å; L99-L102 PolarHBondContact O-N 3Å; L99-K103 WeakPolarHBondContact O-CB 3.33Å; L99-K103 PolarHBondContact O-N 2.89Å; L99-M142 HydrophobicContact CD1-CG 3.98Å; L99-M142 HydrophobicContact CD1-SD 4.27Å; L99-M142 HydrophobicContact CG-CG 4.28Å; L99-M142 HydrophobicContact CG-SD 3.98Å; L99-M143 HydrophobicContact CD2-CE 3.57Å; L99-M143 HydrophobicContact CD2-SD 4.49Å; L99-M143 HydrophobicContact CG-CE 4.14Å; L99-L146 HydrophobicContact CD1-CB 4.46Å; L99-L146 HydrophobicContact CD1-CD1 4.34Å; L99-L146 HydrophobicContact CD1-CD2 4.21Å; L99-L146 HydrophobicContact CD2-CD2 4.05Å; L99-M180 HydrophobicContact CD2-CE 3.39Å; L99-M180 HydrophobicContact CD2-SD 3.82Å |
| 100 | M | 97.5 | Very high | 96.9 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.5 | -44.9 | 178 | -179.4 | -178.9 | 64 | 0 | 0 | 110.8 | F96 V97 K103 D104 C173 R176 L177 M180 | F96-M100 PolarHBondContact O-N 3.46Å; F96-M100 VanDerWaalsContact O-N 3.1Å; V97-M100 WeakPolarHBondContact O-CB 3.43Å; V97-M100 PolarHBondContact O-N 2.7Å; M100-K103 WeakPolarHBondContact O-CB 3.4Å; M100-K103 PolarHBondContact O-N 2.71Å; M100-D104 PolarHBondContact O-N 2.8Å; M100-C173 HydrophobicContact CE-CB 4.19Å; M100-R176 HydrophobicContact CE-CG 4.46Å; M100-R176 HydrophobicContact SD-CB 3.94Å; M100-R176 VanDerWaalsContact SD-CD 3.56Å; M100-R176 HydrophobicContact SD-CG 3.54Å; M100-R176 VanDerWaalsContact SD-CG 3.54Å; M100-L177 HydrophobicContact CB-CD1 4.13Å; M100-L177 HydrophobicContact SD-CB 4.15Å; M100-L177 HydrophobicContact SD-CD1 4.34Å; M100-M180 HydrophobicContact CB-CE 4.07Å; M100-M180 HydrophobicContact CB-SD 3.7Å; M100-M180 HydrophobicContact CG-SD 3.83Å |
| 101 | D | 97.3 | Very high | 97 | Very high | 64 Ų | 64 | 35 Ų | 35 | 34% | 0.342 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -64.7 | -44.6 | 176.5 | -69.2 | -15.2 | 0 | 0 | 0 | 110.8 | V97 K103 D104 H105 | V97-D101 PolarHBondContact O-N 2.79Å; D101-K103 VanDerWaalsContact C-N 3.32Å; D101-K103 PolarHBondContact O-N 3.16Å; D101-D104 WeakPolarHBondContact O-CB 3.35Å; D101-D104 PolarHBondContact O-N 3.1Å; D101-D104 VanDerWaalsContact O-N 3.12Å; D101-H105 PolarHBondContact O-N 3.23Å; D101-H105 VanDerWaalsContact O-N 3.15Å; D101-H105 PolarHBondContact O-ND1 3.26Å |
| 102 | L | 98 | Very high | 97.1 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 6% | 0.058 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -58.3 | -44.2 | 176.1 | 176.1 | 61.4 | 0 | 0 | 0 | 111.7 | L19 R22 I26 D98 L99 D104 H105 I106 M142 | L19-L102 HydrophobicContact CD2-CD1 3.73Å; R22-L102 HydrophobicContact CB-CD1 3.88Å; R22-L102 HydrophobicContact CB-CD2 4.41Å; I26-L102 HydrophobicContact CB-CD2 4.05Å; I26-L102 HydrophobicContact CG1-CD2 3.74Å; D98-L102 VanDerWaalsContact O-CB 3.23Å; D98-L102 WeakPolarHBondContact O-CB 3.37Å; D98-L102 PolarHBondContact O-N 2.93Å; L99-L102 PolarHBondContact O-N 3Å; L102-D104 VanDerWaalsContact C-N 3.26Å; L102-D104 PolarHBondContact O-N 3.25Å; L102-H105 PolarHBondContact O-N 3.42Å; L102-I106 HydrophobicContact CD1-CD1 4.08Å; L102-I106 HydrophobicContact CD1-CG1 4.21Å; L102-I106 HydrophobicContact CG-CD1 3.92Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.9Å; L102-M142 HydrophobicContact CD2-CE 4.07Å; L102-M142 HydrophobicContact CD2-SD 3.83Å; L102-M142 HydrophobicContact CG-CE 4.4Å |
| 103 | K | 97.7 | Very high | 97.2 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 15% | 0.148 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.6 | -43.7 | 175.3 | 163.9 | -178.2 | 176.4 | -61.1 | 0 | 111.4 | L99 M100 D101 I106 A107 Y139 M143 M180 Y184 | L99-K103 WeakPolarHBondContact O-CB 3.33Å; L99-K103 PolarHBondContact O-N 2.89Å; M100-K103 WeakPolarHBondContact O-CB 3.4Å; M100-K103 PolarHBondContact O-N 2.71Å; D101-K103 VanDerWaalsContact C-N 3.32Å; D101-K103 PolarHBondContact O-N 3.16Å; K103-I106 PolarHBondContact O-N 3.24Å; K103-A107 WeakPolarHBondContact O-CB 3.32Å; K103-A107 PolarHBondContact O-N 3.45Å; K103-Y139 HydrophobicContact CB-CE2 4.11Å; K103-Y139 HydrophobicContact CD-CE2 4.45Å; K103-Y139 WeakPolarHBondContact CE-OH 3.24Å; K103-Y139 HydrophobicContact CG-CE2 3.86Å; K103-M143 HydrophobicContact CB-CE 4.25Å; K103-M143 HydrophobicContact CD-CE 4.47Å; K103-M180 HydrophobicContact CD-CG 4.43Å; K103-M180 HydrophobicContact CD-SD 4.09Å; K103-Y184 HydrophobicContact CD-CE2 3.89Å; K103-Y184 WeakPolarHBondContact CE-OH 3.4Å |
| 104 | D | 97.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 32.1 Ų | 32.1 | 24% | 0.241 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | -179.6 | -62.5 | -34.9 | 0 | 0 | 0 | 112 | M100 D101 L102 I106 A107 E108 R176 | M100-D104 PolarHBondContact O-N 2.8Å; D101-D104 WeakPolarHBondContact O-CB 3.35Å; D101-D104 PolarHBondContact O-N 3.1Å; D101-D104 VanDerWaalsContact O-N 3.12Å; L102-D104 VanDerWaalsContact C-N 3.26Å; L102-D104 PolarHBondContact O-N 3.25Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 3.34Å; D104-A107 PolarHBondContact O-N 3.28Å; D104-E108 WeakPolarHBondContact O-CB 3.3Å; D104-E108 PolarHBondContact O-N 3.32Å; D104-R176 IonicContact OD1-CZ 3.34Å; D104-R176 IonicContact OD1-NH2 2.77Å; D104-R176 PolarHBondContact OD1-NH2 3.21Å; D104-R176 IonicContact OD2-CZ 2.78Å; D104-R176 IonicContact OD2-NH1 2.73Å; D104-R176 PolarHBondContact OD2-NH1 2.93Å; D104-R176 IonicContact OD2-NH2 2.62Å; D104-R176 PolarHBondContact OD2-NH2 2.93Å |
| 105 | H | 98.3 | Very high | 96.9 | Very high | 102 Ų | 102 | 30.5 Ų | 30.5 | 47% | 0.472 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.3 | -36 | 178.1 | -67.3 | 90.2 | 0 | 0 | 0 | 112 | L19 D101 L102 L109 | L19-H105 HydrophobicContact CD1-CB 4.45Å; L19-H105 HydrophobicContact CD2-CB 3.81Å; D101-H105 PolarHBondContact O-N 3.23Å; D101-H105 VanDerWaalsContact O-N 3.15Å; D101-H105 PolarHBondContact O-ND1 3.26Å; L102-H105 PolarHBondContact O-N 3.42Å; H105-L109 WeakPolarHBondContact O-CB 3.19Å; H105-L109 PolarHBondContact O-N 2.98Å |
| 106 | I | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.3 | -49.9 | 173 | -67 | 172.8 | 0 | 0 | 0 | 110.1 | L19 L102 K103 D104 E108 L109 L110 L135 Y139 M142 | L19-I106 HydrophobicContact CD1-CG1 4.24Å; L102-I106 HydrophobicContact CD1-CD1 4.08Å; L102-I106 HydrophobicContact CD1-CG1 4.21Å; L102-I106 HydrophobicContact CG-CD1 3.92Å; L102-I106 HydrophobicContact CG-CG1 4.45Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 2.9Å; K103-I106 PolarHBondContact O-N 3.24Å; D104-I106 VanDerWaalsContact C-N 3.3Å; D104-I106 PolarHBondContact O-N 3.34Å; I106-E108 VanDerWaalsContact C-N 3.32Å; I106-E108 PolarHBondContact O-N 3.38Å; I106-L109 PolarHBondContact O-N 2.66Å; I106-L109 VanDerWaalsContact O-N 3.17Å; I106-L110 HydrophobicContact CG2-CD1 4.07Å; I106-L110 HydrophobicContact CG2-CG 4.28Å; I106-L110 WeakPolarHBondContact O-CG 3.42Å; I106-L110 PolarHBondContact O-N 2.94Å; I106-L135 HydrophobicContact CD1-CD1 3.97Å; I106-L135 HydrophobicContact CG1-CD1 4Å; I106-L135 HydrophobicContact CG1-CG 4.45Å; I106-L135 HydrophobicContact CG2-CD2 4.43Å; I106-L135 HydrophobicContact CG2-CG 4.39Å; I106-Y139 HydrophobicContact CD1-CD2 4.11Å; I106-Y139 HydrophobicContact CD1-CG 4.44Å; I106-Y139 HydrophobicContact CG2-CD1 4.34Å; I106-Y139 HydrophobicContact CG2-CD2 4.43Å; I106-Y139 HydrophobicContact CG2-CG 4.15Å; I106-M142 HydrophobicContact CD1-CE 4.31Å |
| 107 | A | 97 | Very high | 96.5 | Very high | 32 Ų | 32 | 33.9 Ų | 33.9 | 26% | 0.264 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.3 | -39.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K103 D104 T111 | K103-A107 WeakPolarHBondContact O-CB 3.32Å; K103-A107 PolarHBondContact O-N 3.45Å; D104-A107 PolarHBondContact O-N 3.28Å; A107-T111 WeakPolarHBondContact O-CB 3.16Å; A107-T111 PolarHBondContact O-N 3.16Å; A107-T111 VanDerWaalsContact O-N 3.07Å; A107-T111 PolarHBondContact O-OG1 3.37Å |
| 108 | E | 96.9 | Very high | 96.3 | Very high | 94 Ų | 94 | 33.2 Ų | 33.2 | 44% | 0.439 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.6 | -48.8 | 173.2 | -172 | -159.9 | 131.7 | 0 | 0 | 110.9 | K15 D104 I106 L110 T111 I112 | K15-E108 IonicContact NZ-OE1 2.73Å; K15-E108 PolarHBondContact NZ-OE1 3.13Å; D104-E108 WeakPolarHBondContact O-CB 3.3Å; D104-E108 PolarHBondContact O-N 3.32Å; I106-E108 VanDerWaalsContact C-N 3.32Å; I106-E108 PolarHBondContact O-N 3.38Å; E108-L110 PolarHBondContact O-N 3.3Å; E108-T111 WeakPolarHBondContact O-CB 3.45Å; E108-T111 PolarHBondContact O-N 3.29Å; E108-I112 HydrophobicContact CG-CD1 4.09Å; E108-I112 WeakPolarHBondContact O-CG1 3.4Å; E108-I112 PolarHBondContact O-N 3.1Å |
| 109 | L | 97.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 179.5 | 179 | 61.6 | 0 | 0 | 0 | 112.1 | I12 K15 L16 L19 H105 I106 T111 I112 I113 L135 | I12-L109 HydrophobicContact CG2-CD1 4.33Å; K15-L109 HydrophobicContact CB-CD1 3.92Å; K15-L109 HydrophobicContact CB-CD2 3.94Å; K15-L109 HydrophobicContact CD-CD1 3.93Å; L16-L109 HydrophobicContact CD2-CD2 3.79Å; L16-L109 HydrophobicContact CG-CD2 4Å; L19-L109 HydrophobicContact CD1-CB 4.1Å; L19-L109 HydrophobicContact CD1-CD2 3.66Å; H105-L109 WeakPolarHBondContact O-CB 3.19Å; H105-L109 PolarHBondContact O-N 2.98Å; I106-L109 PolarHBondContact O-N 2.66Å; I106-L109 VanDerWaalsContact O-N 3.17Å; L109-T111 VanDerWaalsContact C-N 3.28Å; L109-T111 PolarHBondContact O-N 3.18Å; L109-I112 WeakPolarHBondContact O-CB 3.34Å; L109-I112 PolarHBondContact O-N 2.85Å; L109-I112 VanDerWaalsContact O-N 3.15Å; L109-I113 HydrophobicContact CD1-CD1 4.16Å; L109-I113 HydrophobicContact CD1-CG1 4.2Å; L109-I113 HydrophobicContact CD2-CD1 4.46Å; L109-I113 HydrophobicContact CG-CD1 3.9Å; L109-I113 HydrophobicContact CG-CG1 4.37Å; L109-I113 VanDerWaalsContact O-CG1 3.32Å; L109-I113 WeakPolarHBondContact O-CG1 3.35Å; L109-I113 PolarHBondContact O-N 3.36Å; L109-L135 HydrophobicContact CD2-CD2 3.84Å |
| 110 | L | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.8 | -43.1 | 177.1 | -67.2 | 178.7 | 0 | 0 | 0 | 111 | I106 E108 I112 I113 D114 Y132 V136 F195 | I106-L110 HydrophobicContact CG2-CD1 4.07Å; I106-L110 HydrophobicContact CG2-CG 4.28Å; I106-L110 WeakPolarHBondContact O-CG 3.42Å; I106-L110 PolarHBondContact O-N 2.94Å; E108-L110 PolarHBondContact O-N 3.3Å; L110-I112 VanDerWaalsContact C-N 3.34Å; L110-I112 PolarHBondContact O-N 3.27Å; L110-I113 PolarHBondContact O-N 3.25Å; L110-D114 PolarHBondContact O-N 3.38Å; L110-Y132 HydrophobicContact CD2-CD2 4.37Å; L110-Y132 HydrophobicContact CD2-CE2 3.64Å; L110-V136 HydrophobicContact CD2-CG2 4.19Å; L110-F195 HydrophobicContact CD1-CE1 4.18Å; L110-F195 HydrophobicContact CD1-CZ 3.96Å |
| 111 | T | 96.4 | Very high | 96.1 | Very high | 82 Ų | 82 | 35.4 Ų | 35.4 | 50% | 0.503 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.1 | -40.6 | 175.8 | -56.3 | 0 | 0 | 0 | 0 | 112.1 | A107 E108 L109 D114 A115 | A107-T111 WeakPolarHBondContact O-CB 3.16Å; A107-T111 PolarHBondContact O-N 3.16Å; A107-T111 VanDerWaalsContact O-N 3.07Å; A107-T111 PolarHBondContact O-OG1 3.37Å; E108-T111 WeakPolarHBondContact O-CB 3.45Å; E108-T111 PolarHBondContact O-N 3.29Å; L109-T111 VanDerWaalsContact C-N 3.28Å; L109-T111 PolarHBondContact O-N 3.18Å; T111-D114 PolarHBondContact O-N 3.05Å; T111-A115 WeakPolarHBondContact O-CB 3.21Å; T111-A115 PolarHBondContact O-N 2.89Å |
| 112 | I | 95.2 | Very high | 96.1 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 7% | 0.072 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 175.6 | -70.5 | 166.5 | 0 | 0 | 0 | 111 | Q10 I12 E108 L109 L110 A115 C116 | Q10-I112 HydrophobicContact CB-CG2 3.78Å; Q10-I112 HydrophobicContact CG-CG2 3.73Å; I12-I112 HydrophobicContact CD1-CG2 4.09Å; I12-I112 HydrophobicContact CG1-CG2 4.23Å; E108-I112 HydrophobicContact CG-CD1 4.09Å; E108-I112 WeakPolarHBondContact O-CG1 3.4Å; E108-I112 PolarHBondContact O-N 3.1Å; L109-I112 WeakPolarHBondContact O-CB 3.34Å; L109-I112 PolarHBondContact O-N 2.85Å; L109-I112 VanDerWaalsContact O-N 3.15Å; L110-I112 VanDerWaalsContact C-N 3.34Å; L110-I112 PolarHBondContact O-N 3.27Å; I112-A115 PolarHBondContact O-N 3.44Å; I112-C116 WeakPolarHBondContact O-CB 3.42Å; I112-C116 PolarHBondContact O-N 2.83Å; I112-C116 PolarHBondContact O-SG 3.17Å |
| 113 | I | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.9 | -44.6 | 178.7 | -73 | 172.7 | 0 | 0 | 0 | 110.5 | I12 L16 L109 L110 C116 Q117 I118 F120 Y132 V201 | I12-I113 HydrophobicContact CG2-CD1 4.23Å; I12-I113 HydrophobicContact CG2-CG1 3.96Å; L16-I113 HydrophobicContact CD2-CD1 4.39Å; L109-I113 HydrophobicContact CD1-CD1 4.16Å; L109-I113 HydrophobicContact CD1-CG1 4.2Å; L109-I113 HydrophobicContact CD2-CD1 4.46Å; L109-I113 HydrophobicContact CG-CD1 3.9Å; L109-I113 HydrophobicContact CG-CG1 4.37Å; L109-I113 VanDerWaalsContact O-CG1 3.32Å; L109-I113 WeakPolarHBondContact O-CG1 3.35Å; L109-I113 PolarHBondContact O-N 3.36Å; L110-I113 PolarHBondContact O-N 3.25Å; I113-C116 CarbonylContact O-C 3.55Å; I113-C116 PolarHBondContact O-N 3.39Å; I113-Q117 PolarHBondContact O-N 3.29Å; I113-I118 HydrophobicContact CG1-CD1 4.33Å; I113-I118 HydrophobicContact CG2-CB 4.23Å; I113-I118 HydrophobicContact CG2-CD1 4.36Å; I113-I118 HydrophobicContact CG2-CG1 4.44Å; I113-I118 PolarHBondContact O-N 3.47Å; I113-F120 HydrophobicContact CD1-CZ 4.46Å; I113-F120 HydrophobicContact CG2-CE2 3.65Å; I113-F120 HydrophobicContact CG2-CZ 4.01Å; I113-Y132 HydrophobicContact CD1-CD2 3.91Å; I113-Y132 HydrophobicContact CD1-CE2 4.25Å; I113-Y132 HydrophobicContact CG2-CE2 4.41Å; I113-V201 HydrophobicContact CG2-CG1 3.83Å |
| 114 | D | 94.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 32.3 Ų | 32.3 | 17% | 0.166 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -43.5 | 175.7 | -68.9 | -38.2 | 0 | 0 | 0 | 112.3 | L110 T111 C116 Q117 H198 V201 | L110-D114 PolarHBondContact O-N 3.38Å; T111-D114 PolarHBondContact O-N 3.05Å; D114-C116 PolarHBondContact O-N 3.46Å; D114-Q117 WeakPolarHBondContact O-CA 3.31Å; D114-Q117 VanDerWaalsContact O-CG 3.28Å; D114-Q117 WeakPolarHBondContact O-CG 3.39Å; D114-Q117 PolarHBondContact O-N 3.07Å; D114-H198 IonicContact OD2-CE1 3.38Å; D114-H198 PolarHBondContact OD2-CE1 2.95Å; D114-H198 IonicContact OD2-CG 3.53Å; D114-H198 IonicContact OD2-ND1 3.36Å; D114-H198 PolarHBondContact OD2-ND1 3.39Å; D114-V201 WeakPolarHBondContact OD1-CG2 3.24Å |
| 115 | A | 93 | Very high | 95.7 | Very high | 39 Ų | 39 | 30.2 Ų | 30.2 | 32% | 0.322 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65.2 | -31.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I5 T111 I112 Q117 | I5-A115 HydrophobicContact CD1-CB 3.77Å; T111-A115 WeakPolarHBondContact O-CB 3.21Å; T111-A115 PolarHBondContact O-N 2.89Å; I112-A115 PolarHBondContact O-N 3.44Å; A115-Q117 VanDerWaalsContact C-N 3.29Å |
| 116 | C | 92.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.007 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -79.1 | -11 | 171.8 | -64.9 | 0 | 0 | 0 | 0 | 113.2 | A7 I12 I112 I113 D114 I118 S504 | A7-C116 HydrophobicContact CB-CB 4.31Å; I12-C116 HydrophobicContact CD1-CB 4.45Å; I112-C116 WeakPolarHBondContact O-CB 3.42Å; I112-C116 PolarHBondContact O-N 2.83Å; I112-C116 PolarHBondContact O-SG 3.17Å; I113-C116 CarbonylContact O-C 3.55Å; I113-C116 PolarHBondContact O-N 3.39Å; D114-C116 PolarHBondContact O-N 3.46Å; C116-I118 VanDerWaalsContact C-N 3.31Å; C116-I118 HydrophobicContact CB-CD1 4.32Å; C116-I118 HydrophobicContact CB-CG1 3.85Å; C116-I118 PolarHBondContact O-N 3.41Å; C116-S504 PolarHBondContact O-OG 3.25Å |
| 117 | Q | 92.4 | Very high | 95.5 | Very high | 74 Ų | 74 | 25.9 Ų | 25.9 | 35% | 0.346 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 51.6 | -177.6 | -61.9 | -177.5 | -41.7 | 0 | 0 | 111.8 | I113 D114 A115 I119 Q505 | I113-Q117 PolarHBondContact O-N 3.29Å; D114-Q117 WeakPolarHBondContact O-CA 3.31Å; D114-Q117 VanDerWaalsContact O-CG 3.28Å; D114-Q117 WeakPolarHBondContact O-CG 3.39Å; D114-Q117 PolarHBondContact O-N 3.07Å; A115-Q117 VanDerWaalsContact C-N 3.29Å; Q117-I119 PolarHBondContact O-N 3.32Å; Q117-Q505 HydrophobicContact CB-CB 3.71Å; Q117-Q505 VanDerWaalsContact CD-OE1 3.32Å; Q117-Q505 PolarHBondContact O-N 3.36Å |
| 118 | I | 94.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 24.3 Ų | 24.3 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 130.5 | -178.9 | -59.8 | -173.7 | 0 | 0 | 0 | 110 | I12 I113 C116 F120 L128 S503 | I12-I118 HydrophobicContact CD1-CD1 3.55Å; I12-I118 HydrophobicContact CG2-CD1 4.08Å; I113-I118 HydrophobicContact CG1-CD1 4.33Å; I113-I118 HydrophobicContact CG2-CB 4.23Å; I113-I118 HydrophobicContact CG2-CD1 4.36Å; I113-I118 HydrophobicContact CG2-CG1 4.44Å; I113-I118 PolarHBondContact O-N 3.47Å; C116-I118 VanDerWaalsContact C-N 3.31Å; C116-I118 HydrophobicContact CB-CD1 4.32Å; C116-I118 HydrophobicContact CB-CG1 3.85Å; C116-I118 PolarHBondContact O-N 3.41Å; I118-F120 HydrophobicContact CB-CE2 4.12Å; I118-F120 HydrophobicContact CB-CZ 4.29Å; I118-F120 HydrophobicContact CG2-CD1 4.3Å; I118-F120 HydrophobicContact CG2-CD2 4.27Å; I118-F120 HydrophobicContact CG2-CE1 4Å; I118-F120 HydrophobicContact CG2-CE2 3.93Å; I118-F120 HydrophobicContact CG2-CG 4.45Å; I118-F120 HydrophobicContact CG2-CZ 3.79Å; I118-L128 HydrophobicContact CG2-CD2 4.3Å; I118-S503 WeakPolarHBondContact CA-O 3.23Å |
| 119 | I | 94.8 | Very high | 95.6 | Very high | 66 Ų | 66 | 19.9 Ų | 19.9 | 34% | 0.338 | 11% | 0.114 | S | C | . | . | trans | -91.5 | 106.8 | 174.8 | -56.3 | 174.6 | 0 | 0 | 0 | 108.2 | Q117 N125 S503 H512 | Q117-I119 PolarHBondContact O-N 3.32Å; I119-N125 PolarHBondContact O-ND2 3.09Å; I119-S503 PolarHBondContact N-O 2.93Å; I119-H512 PolarHBondContact O-CE1 2.91Å; I119-H512 VanDerWaalsContact O-CE1 3.25Å; I119-H512 PolarHBondContact O-NE2 2.63Å; I119-H512 VanDerWaalsContact O-NE2 3.13Å | ||
| 120 | F | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 12% | 0.12 | C | C | . | . | trans | -87.8 | 129.4 | 173.5 | -69 | -73.3 | 0 | 0 | 0 | 110.9 | I113 I118 L128 T129 Y132 V201 S204 A205 | I113-F120 HydrophobicContact CD1-CZ 4.46Å; I113-F120 HydrophobicContact CG2-CE2 3.65Å; I113-F120 HydrophobicContact CG2-CZ 4.01Å; I118-F120 HydrophobicContact CB-CE2 4.12Å; I118-F120 HydrophobicContact CB-CZ 4.29Å; I118-F120 HydrophobicContact CG2-CD1 4.3Å; I118-F120 HydrophobicContact CG2-CD2 4.27Å; I118-F120 HydrophobicContact CG2-CE1 4Å; I118-F120 HydrophobicContact CG2-CE2 3.93Å; I118-F120 HydrophobicContact CG2-CG 4.45Å; I118-F120 HydrophobicContact CG2-CZ 3.79Å; F120-L128 HydrophobicContact CD1-CD2 4.43Å; F120-L128 HydrophobicContact CE1-CD2 3.82Å; F120-L128 HydrophobicContact CE1-CG 3.88Å; F120-T129 HydrophobicContact CB-CG2 4.06Å; F120-Y132 HydrophobicContact CD1-CD1 4.49Å; F120-Y132 HydrophobicContact CD1-CG 4.44Å; F120-Y132 AromaticContact CD2-CD1 3.92Å; F120-Y132 HydrophobicContact CD2-CD1 3.92Å; F120-Y132 HydrophobicContact CD2-CE1 4.13Å; F120-Y132 HydrophobicContact CD2-CG 4.2Å; F120-Y132 HydrophobicContact CE1-CD1 4.42Å; F120-Y132 AromaticContact CE1-CG 3.95Å; F120-Y132 HydrophobicContact CE1-CG 3.95Å; F120-Y132 AromaticContact CE2-CD1 3.87Å; F120-Y132 HydrophobicContact CE2-CD1 3.87Å; F120-Y132 AromaticContact CE2-CD2 3.81Å; F120-Y132 HydrophobicContact CE2-CD2 3.81Å; F120-Y132 HydrophobicContact CE2-CE1 4.14Å; F120-Y132 HydrophobicContact CE2-CE2 4.07Å; F120-Y132 AromaticContact CE2-CG 3.7Å; F120-Y132 HydrophobicContact CE2-CG 3.7Å; F120-Y132 HydrophobicContact CG-CD1 4.23Å; F120-Y132 HydrophobicContact CZ-CD1 4.13Å; F120-Y132 AromaticContact CZ-CD2 3.74Å; F120-Y132 HydrophobicContact CZ-CD2 3.74Å; F120-Y132 HydrophobicContact CZ-CE2 4.43Å; F120-Y132 AromaticContact CZ-CG 3.56Å; F120-Y132 HydrophobicContact CZ-CG 3.56Å; F120-V201 HydrophobicContact CD2-CG1 3.44Å; F120-V201 VanDerWaalsContact CD2-CG1 3.44Å; F120-V201 HydrophobicContact CE2-CG1 3.38Å; F120-S204 PolarHBondContact O-OG 3.14Å; F120-A205 HydrophobicContact CB-CB 3.66Å; F120-A205 HydrophobicContact CG-CB 4.38Å | ||
| 121 | N | 96.4 | Very high | 95.6 | Very high | 47 Ų | 47 | 22.4 Ų | 22.4 | 25% | 0.251 | 13% | 0.127 | S | C | . | . | trans | -146.3 | 110.4 | 175.5 | -176 | -27.4 | 0 | 0 | 0 | 110.1 | S123 V124 N125 T129 | N121-S123 PolarHBondContact O-N 3.46Å; N121-S123 PolarHBondContact OD1-N 3.09Å; N121-V124 HydrophobicContact CB-CB 4.23Å; N121-V124 HydrophobicContact CB-CG2 4.3Å; N121-V124 PolarHBondContact O-N 3.26Å; N121-N125 WeakPolarHBondContact CA-OD1 3.3Å; N121-N125 PolarHBondContact N-OD1 3.43Å; N121-N125 PolarHBondContact O-N 3.02Å; N121-N125 PolarHBondContact O-OD1 3.38Å; N121-T129 PolarHBondContact N-OG1 3.44Å | ||
| 122 | I | 96.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.7 | -176.2 | -161.6 | 61.2 | 0 | 0 | 0 | 114 | C126 T129 Q130 S208 L209 V212 W260 | I122-C126 WeakPolarHBondContact O-CA 3.43Å; I122-C126 VanDerWaalsContact O-CB 3.27Å; I122-C126 WeakPolarHBondContact O-CB 3.39Å; I122-C126 PolarHBondContact O-SG 3.38Å; I122-T129 HydrophobicContact CB-CG2 4.24Å; I122-T129 HydrophobicContact CD1-CG2 3.99Å; I122-Q130 HydrophobicContact CD1-CG 3.62Å; I122-S208 VanDerWaalsContact CG2-O 3.31Å; I122-S208 WeakPolarHBondContact CG2-O 3.22Å; I122-S208 PolarHBondContact N-OG 3.44Å; I122-L209 HydrophobicContact CB-CD2 4.13Å; I122-L209 HydrophobicContact CG1-CD2 3.93Å; I122-L209 HydrophobicContact CG2-CD2 4.1Å; I122-V212 HydrophobicContact CG2-CG2 3.91Å; I122-W260 HydrophobicContact CD1-CZ3 4.27Å |
| 123 | S | 94.1 | Very high | 95.9 | Very high | 32 Ų | 32 | 17.9 Ų | 17.9 | 22% | 0.224 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8 | 179.9 | -55.9 | 0 | 0 | 0 | 0 | 113.5 | N121 | N121-S123 PolarHBondContact O-N 3.46Å; N121-S123 PolarHBondContact OD1-N 3.09Å |
| 124 | V | 95.5 | Very high | 96 | Very high | 13 Ų | 13 | 20.2 Ų | 20.2 | 8% | 0.079 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -71.1 | -177.5 | -178.6 | 0 | 0 | 0 | 0 | 109.8 | N121 C126 I511 A518 N522 | N121-V124 HydrophobicContact CB-CB 4.23Å; N121-V124 HydrophobicContact CB-CG2 4.3Å; N121-V124 PolarHBondContact O-N 3.26Å; V124-C126 PolarHBondContact O-N 2.93Å; V124-I511 HydrophobicContact CG1-CG1 4.14Å; V124-I511 HydrophobicContact CG1-CG2 3.99Å; V124-A518 HydrophobicContact CB-CB 4.4Å; V124-A518 HydrophobicContact CG1-CB 3.64Å; V124-N522 PolarHBondContact O-ND2 2.92Å |
| 125 | N | 96 | Very high | 96.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -97.8 | 65.6 | 176.7 | 55.1 | -15.6 | 0 | 0 | 0 | 109.7 | I119 N121 T129 Q499 S503 | I119-N125 PolarHBondContact O-ND2 3.09Å; N121-N125 WeakPolarHBondContact CA-OD1 3.3Å; N121-N125 PolarHBondContact N-OD1 3.43Å; N121-N125 PolarHBondContact O-N 3.02Å; N121-N125 PolarHBondContact O-OD1 3.38Å; N125-T129 VanDerWaalsContact O-CB 3.31Å; N125-T129 WeakPolarHBondContact O-CB 3.45Å; N125-T129 PolarHBondContact O-N 2.9Å; N125-T129 PolarHBondContact O-OG1 2.97Å; N125-T129 PolarHBondContact OD1-OG1 2.99Å; N125-Q499 HydrophobicContact CB-CB 3.93Å; N125-Q499 HydrophobicContact CB-CG 3.83Å; N125-S503 WeakPolarHBondContact ND2-CB 3.45Å; N125-S503 PolarHBondContact ND2-OG 3.31Å |
| 126 | C | 95.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.9 | -61.1 | -169 | -165.8 | 0 | 0 | 0 | 0 | 112 | I122 V124 L128 T129 Q130 | I122-C126 WeakPolarHBondContact O-CA 3.43Å; I122-C126 VanDerWaalsContact O-CB 3.27Å; I122-C126 WeakPolarHBondContact O-CB 3.39Å; I122-C126 PolarHBondContact O-SG 3.38Å; V124-C126 PolarHBondContact O-N 2.93Å; C126-L128 PolarHBondContact O-N 2.98Å; C126-T129 WeakPolarHBondContact O-CB 3.44Å; C126-T129 PolarHBondContact O-N 3.5Å; C126-T129 VanDerWaalsContact O-N 3.08Å; C126-Q130 WeakPolarHBondContact O-CG 3.25Å; C126-Q130 PolarHBondContact O-N 3.48Å; C126-Q130 PolarHBondContact SG-NE2 3.5Å |
| 127 | D | 96.5 | Very high | 96.7 | Very high | 10 Ų | 10 | 17 Ų | 17 | 5% | 0.053 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.2 | -43.6 | -175.5 | -56.1 | -93.9 | 0 | 0 | 0 | 112.8 | T129 Q130 L131 Y496 K529 | D127-T129 PolarHBondContact O-N 2.93Å; D127-Q130 PolarHBondContact O-N 3.24Å; D127-L131 WeakPolarHBondContact O-CB 3.39Å; D127-L131 VanDerWaalsContact O-CG 3.29Å; D127-L131 WeakPolarHBondContact O-CG 3.39Å; D127-L131 PolarHBondContact O-N 3.12Å; D127-Y496 HydrophobicContact CB-CD1 3.62Å; D127-Y496 HydrophobicContact CB-CE1 3.28Å; D127-Y496 VanDerWaalsContact CG-CE1 3.47Å; D127-K529 IonicContact OD1-NZ 3.76Å |
| 128 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 177.2 | -166.6 | 82 | 0 | 0 | 0 | 111.5 | L16 I118 F120 C126 L131 Y132 Q499 A500 | L16-L128 HydrophobicContact CD1-CD1 3.6Å; L16-L128 HydrophobicContact CD1-CG 4.12Å; I118-L128 HydrophobicContact CG2-CD2 4.3Å; F120-L128 HydrophobicContact CD1-CD2 4.43Å; F120-L128 HydrophobicContact CE1-CD2 3.82Å; F120-L128 HydrophobicContact CE1-CG 3.88Å; C126-L128 PolarHBondContact O-N 2.98Å; L128-L131 PolarHBondContact O-N 3.23Å; L128-Y132 WeakPolarHBondContact O-CB 3.34Å; L128-Y132 PolarHBondContact O-N 3.27Å; L128-Q499 HydrophobicContact CB-CB 3.92Å; L128-Q499 HydrophobicContact CD2-CB 4.2Å; L128-A500 HydrophobicContact CD1-CB 4.07Å; L128-A500 HydrophobicContact CD2-CB 4.12Å |
| 129 | T | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.2 | -43.3 | 175 | -57.2 | 0 | 0 | 0 | 0 | 111.1 | F120 N121 I122 N125 C126 D127 Y132 M133 A205 | F120-T129 HydrophobicContact CB-CG2 4.06Å; N121-T129 PolarHBondContact N-OG1 3.44Å; I122-T129 HydrophobicContact CB-CG2 4.24Å; I122-T129 HydrophobicContact CD1-CG2 3.99Å; N125-T129 VanDerWaalsContact O-CB 3.31Å; N125-T129 WeakPolarHBondContact O-CB 3.45Å; N125-T129 PolarHBondContact O-N 2.9Å; N125-T129 PolarHBondContact O-OG1 2.97Å; N125-T129 PolarHBondContact OD1-OG1 2.99Å; C126-T129 WeakPolarHBondContact O-CB 3.44Å; C126-T129 PolarHBondContact O-N 3.5Å; C126-T129 VanDerWaalsContact O-N 3.08Å; D127-T129 PolarHBondContact O-N 2.93Å; T129-Y132 PolarHBondContact O-N 3.38Å; T129-M133 HydrophobicContact CG2-CG 4.29Å; T129-M133 WeakPolarHBondContact O-CB 3.36Å; T129-M133 VanDerWaalsContact O-CG 3.26Å; T129-M133 WeakPolarHBondContact O-CG 3.38Å; T129-M133 PolarHBondContact O-N 2.86Å; T129-A205 HydrophobicContact CG2-CB 4.29Å |
| 130 | Q | 98 | Very high | 97.3 | Very high | 26 Ų | 26 | 10.7 Ų | 10.7 | 12% | 0.121 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -62.5 | -46.9 | 176.1 | -63.6 | -167.2 | 29.9 | 0 | 0 | 111.6 | I122 C126 D127 Y132 M133 N134 W260 | I122-Q130 HydrophobicContact CD1-CG 3.62Å; C126-Q130 WeakPolarHBondContact O-CG 3.25Å; C126-Q130 PolarHBondContact O-N 3.48Å; C126-Q130 PolarHBondContact SG-NE2 3.5Å; D127-Q130 PolarHBondContact O-N 3.24Å; Q130-Y132 VanDerWaalsContact C-N 3.32Å; Q130-Y132 PolarHBondContact O-N 3.37Å; Q130-M133 PolarHBondContact O-N 2.95Å; Q130-N134 WeakPolarHBondContact O-CB 3.39Å; Q130-N134 PolarHBondContact O-N 3.49Å; Q130-N134 PolarHBondContact O-ND2 3.31Å; Q130-W260 HydrophobicContact CB-CH2 4.18Å; Q130-W260 HydrophobicContact CB-CZ2 4.37Å; Q130-W260 HydrophobicContact CG-CH2 3.83Å; Q130-W260 HydrophobicContact CG-CZ2 4.49Å |
| 131 | L | 98.4 | Very high | 97.3 | Very high | 30 Ų | 30 | 10.7 Ų | 10.7 | 16% | 0.157 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.2 | -42.4 | 177.2 | -73.9 | 170.9 | 0 | 0 | 0 | 111.8 | L16 V17 N20 D127 L128 L135 Y496 | L16-L131 HydrophobicContact CB-CB 4.09Å; L16-L131 HydrophobicContact CB-CD1 4.39Å; L16-L131 HydrophobicContact CD1-CB 4.29Å; V17-L131 HydrophobicContact CG2-CD1 3.84Å; V17-L131 HydrophobicContact CG2-CD2 4.32Å; N20-L131 PolarHBondContact ND2-O 3.17Å; D127-L131 WeakPolarHBondContact O-CB 3.39Å; D127-L131 VanDerWaalsContact O-CG 3.29Å; D127-L131 WeakPolarHBondContact O-CG 3.39Å; D127-L131 PolarHBondContact O-N 3.12Å; L128-L131 PolarHBondContact O-N 3.23Å; L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 PolarHBondContact O-N 3.03Å; L131-Y496 HydrophobicContact CD1-CD2 4.2Å; L131-Y496 HydrophobicContact CD1-CE2 4.42Å |
| 132 | Y | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 0% | 0.004 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -64.2 | -49.6 | 175.6 | 172.3 | -102.2 | 0 | 0 | 0 | 112.1 | L110 I113 F120 L128 T129 Q130 N134 L135 V136 V201 L202 A205 | L110-Y132 HydrophobicContact CD2-CD2 4.37Å; L110-Y132 HydrophobicContact CD2-CE2 3.64Å; I113-Y132 HydrophobicContact CD1-CD2 3.91Å; I113-Y132 HydrophobicContact CD1-CE2 4.25Å; I113-Y132 HydrophobicContact CG2-CE2 4.41Å; F120-Y132 HydrophobicContact CD1-CD1 4.49Å; F120-Y132 HydrophobicContact CD1-CG 4.44Å; F120-Y132 AromaticContact CD2-CD1 3.92Å; F120-Y132 HydrophobicContact CD2-CD1 3.92Å; F120-Y132 HydrophobicContact CD2-CE1 4.13Å; F120-Y132 HydrophobicContact CD2-CG 4.2Å; F120-Y132 HydrophobicContact CE1-CD1 4.42Å; F120-Y132 AromaticContact CE1-CG 3.95Å; F120-Y132 HydrophobicContact CE1-CG 3.95Å; F120-Y132 AromaticContact CE2-CD1 3.87Å; F120-Y132 HydrophobicContact CE2-CD1 3.87Å; F120-Y132 AromaticContact CE2-CD2 3.81Å; F120-Y132 HydrophobicContact CE2-CD2 3.81Å; F120-Y132 HydrophobicContact CE2-CE1 4.14Å; F120-Y132 HydrophobicContact CE2-CE2 4.07Å; F120-Y132 AromaticContact CE2-CG 3.7Å; F120-Y132 HydrophobicContact CE2-CG 3.7Å; F120-Y132 HydrophobicContact CG-CD1 4.23Å; F120-Y132 HydrophobicContact CZ-CD1 4.13Å; F120-Y132 AromaticContact CZ-CD2 3.74Å; F120-Y132 HydrophobicContact CZ-CD2 3.74Å; F120-Y132 HydrophobicContact CZ-CE2 4.43Å; F120-Y132 AromaticContact CZ-CG 3.56Å; F120-Y132 HydrophobicContact CZ-CG 3.56Å; L128-Y132 WeakPolarHBondContact O-CB 3.34Å; L128-Y132 PolarHBondContact O-N 3.27Å; T129-Y132 PolarHBondContact O-N 3.38Å; Q130-Y132 VanDerWaalsContact C-N 3.32Å; Q130-Y132 PolarHBondContact O-N 3.37Å; Y132-N134 VanDerWaalsContact C-N 3.34Å; Y132-N134 PolarHBondContact O-N 3.11Å; Y132-L135 PolarHBondContact O-N 2.95Å; Y132-V136 HydrophobicContact CD2-CG2 4.31Å; Y132-V136 HydrophobicContact CE1-CG2 4.15Å; Y132-V136 HydrophobicContact CE2-CG2 3.9Å; Y132-V136 WeakPolarHBondContact O-CG2 3.47Å; Y132-V136 PolarHBondContact O-N 3.47Å; Y132-V201 HydrophobicContact CE1-CG1 4.38Å; Y132-V201 HydrophobicContact CE2-CG1 4.4Å; Y132-L202 HydrophobicContact CE1-CD1 4.07Å; Y132-L202 PolarHBondContact OH-N 3Å; Y132-A205 HydrophobicContact CD1-CB 4.25Å; Y132-A205 HydrophobicContact CE1-CB 4.19Å |
| 133 | M | 98.4 | Very high | 97.4 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -66 | -36.3 | -179 | -67.7 | -59 | -69.1 | 0 | 0 | 112.5 | T129 Q130 T137 L202 A205 I206 W260 | T129-M133 HydrophobicContact CG2-CG 4.29Å; T129-M133 WeakPolarHBondContact O-CB 3.36Å; T129-M133 VanDerWaalsContact O-CG 3.26Å; T129-M133 WeakPolarHBondContact O-CG 3.38Å; T129-M133 PolarHBondContact O-N 2.86Å; Q130-M133 PolarHBondContact O-N 2.95Å; M133-T137 WeakPolarHBondContact O-CB 3.41Å; M133-T137 WeakPolarHBondContact O-CG2 3.42Å; M133-T137 PolarHBondContact O-N 3.31Å; M133-T137 PolarHBondContact O-OG1 3.31Å; M133-L202 HydrophobicContact CE-CD1 4.01Å; M133-L202 HydrophobicContact SD-CD1 3.71Å; M133-A205 HydrophobicContact CG-CB 4.22Å; M133-A205 HydrophobicContact SD-CB 3.5Å; M133-A205 VanDerWaalsContact SD-CB 3.5Å; M133-I206 HydrophobicContact CE-CG1 3.7Å; M133-W260 HydrophobicContact CB-CD2 3.62Å; M133-W260 HydrophobicContact CB-CE3 4.21Å; M133-W260 HydrophobicContact CB-CG 3.82Å; M133-W260 HydrophobicContact CB-CZ2 4.1Å; M133-W260 HydrophobicContact CE-CB 3.56Å; M133-W260 HydrophobicContact CE-CD2 4.49Å; M133-W260 HydrophobicContact CE-CG 3.96Å; M133-W260 HydrophobicContact CG-CD2 4.29Å; M133-W260 HydrophobicContact CG-CE3 4.47Å |
| 134 | N | 98.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 7 Ų | 7 | 26% | 0.262 | 4% | 0.039 | S | C | . | . | H | α-helix | trans | -65.4 | -41.3 | 172.9 | -74.2 | -19.9 | 0 | 0 | 0 | 111.8 | N20 Q130 Y132 T137 G138 W260 | N20-N134 VanDerWaalsContact OD1-C 3.25Å; N20-N134 WeakPolarHBondContact OD1-CB 3.46Å; Q130-N134 WeakPolarHBondContact O-CB 3.39Å; Q130-N134 PolarHBondContact O-N 3.49Å; Q130-N134 PolarHBondContact O-ND2 3.31Å; Y132-N134 VanDerWaalsContact C-N 3.34Å; Y132-N134 PolarHBondContact O-N 3.11Å; N134-T137 PolarHBondContact O-OG1 3.37Å; N134-G138 WeakPolarHBondContact O-CA 3.39Å; N134-G138 PolarHBondContact O-N 3.11Å; N134-W260 VanDerWaalsContact OD1-CZ2 3.28Å; N134-W260 WeakPolarHBondContact OD1-CZ2 3.26Å; N134-W260 PolarHBondContact OD1-NE1 3.06Å |
| 135 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.9 | -45.5 | 177.2 | -174.2 | 63.3 | 0 | 0 | 0 | 111.2 | L16 L19 N20 I106 L109 L131 Y132 G138 Y139 | L16-L135 HydrophobicContact CD2-CB 4.43Å; L16-L135 HydrophobicContact CD2-CD2 3.84Å; L19-L135 HydrophobicContact CB-CD1 3.72Å; L19-L135 HydrophobicContact CB-CD2 4.21Å; L19-L135 HydrophobicContact CD1-CD2 4.3Å; N20-L135 WeakPolarHBondContact OD1-CA 3.49Å; N20-L135 PolarHBondContact OD1-N 2.88Å; I106-L135 HydrophobicContact CD1-CD1 3.97Å; I106-L135 HydrophobicContact CG1-CD1 4Å; I106-L135 HydrophobicContact CG1-CG 4.45Å; I106-L135 HydrophobicContact CG2-CD2 4.43Å; I106-L135 HydrophobicContact CG2-CG 4.39Å; L109-L135 HydrophobicContact CD2-CD2 3.84Å; L131-L135 WeakPolarHBondContact O-CB 3.49Å; L131-L135 PolarHBondContact O-N 3.03Å; Y132-L135 PolarHBondContact O-N 2.95Å; L135-G138 PolarHBondContact O-N 3.39Å; L135-Y139 VanDerWaalsContact O-CB 3.32Å; L135-Y139 WeakPolarHBondContact O-CB 3.4Å; L135-Y139 PolarHBondContact O-N 3.06Å |
| 136 | V | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 6.5 Ų | 6.5 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -60.8 | -51.3 | 178.6 | 168.8 | 0 | 0 | 0 | 0 | 110.8 | L110 Y132 Y139 V140 F195 L202 M267 | L110-V136 HydrophobicContact CD2-CG2 4.19Å; Y132-V136 HydrophobicContact CD2-CG2 4.31Å; Y132-V136 HydrophobicContact CE1-CG2 4.15Å; Y132-V136 HydrophobicContact CE2-CG2 3.9Å; Y132-V136 WeakPolarHBondContact O-CG2 3.47Å; Y132-V136 PolarHBondContact O-N 3.47Å; V136-Y139 WeakPolarHBondContact O-CB 3.12Å; V136-Y139 PolarHBondContact O-N 3.41Å; V136-V140 WeakPolarHBondContact O-CG2 3.4Å; V136-V140 PolarHBondContact O-N 3.45Å; V136-V140 VanDerWaalsContact O-N 3.08Å; V136-F195 HydrophobicContact CG1-CE1 3.73Å; V136-F195 HydrophobicContact CG1-CZ 3.87Å; V136-F195 HydrophobicContact CG2-CE1 4.11Å; V136-F195 HydrophobicContact CG2-CZ 4.42Å; V136-L202 HydrophobicContact CG1-CD1 4.09Å; V136-L202 HydrophobicContact CG1-CD2 4.21Å; V136-M267 HydrophobicContact CG1-CE 3.59Å |
| 137 | T | 97.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 7.4 Ų | 7.4 | 1% | 0.006 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -71.8 | -30.5 | -179.7 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | M133 N134 V140 S141 W260 F263 | M133-T137 WeakPolarHBondContact O-CB 3.41Å; M133-T137 WeakPolarHBondContact O-CG2 3.42Å; M133-T137 PolarHBondContact O-N 3.31Å; M133-T137 PolarHBondContact O-OG1 3.31Å; N134-T137 PolarHBondContact O-OG1 3.37Å; T137-V140 PolarHBondContact O-N 3.45Å; T137-S141 WeakPolarHBondContact O-CB 3.33Å; T137-S141 PolarHBondContact O-N 3.15Å; T137-S141 PolarHBondContact O-OG 3.21Å; T137-W260 HydrophobicContact CG2-CG 4.41Å; T137-F263 HydrophobicContact CG2-CB 4.08Å; T137-F263 HydrophobicContact CG2-CD2 4.03Å |
| 138 | G | 97.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 8.7 Ų | 8.7 | 8% | 0.082 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | N134 L135 V140 S141 M142 | N134-G138 WeakPolarHBondContact O-CA 3.39Å; N134-G138 PolarHBondContact O-N 3.11Å; L135-G138 PolarHBondContact O-N 3.39Å; G138-V140 PolarHBondContact O-N 3.49Å; G138-S141 PolarHBondContact O-N 3.42Å; G138-M142 VanDerWaalsContact O-CB 3.29Å; G138-M142 WeakPolarHBondContact O-CB 3.49Å; G138-M142 PolarHBondContact O-N 3.12Å |
| 139 | Y | 98.1 | Very high | 97.5 | Very high | 4 Ų | 4 | 8.8 Ų | 8.8 | 2% | 0.016 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 175.7 | 178.7 | -131.5 | 0 | 0 | 0 | 112.1 | K103 I106 L135 V136 M142 M143 Y184 L191 E194 F195 | K103-Y139 HydrophobicContact CB-CE2 4.11Å; K103-Y139 HydrophobicContact CD-CE2 4.45Å; K103-Y139 WeakPolarHBondContact CE-OH 3.24Å; K103-Y139 HydrophobicContact CG-CE2 3.86Å; I106-Y139 HydrophobicContact CD1-CD2 4.11Å; I106-Y139 HydrophobicContact CD1-CG 4.44Å; I106-Y139 HydrophobicContact CG2-CD1 4.34Å; I106-Y139 HydrophobicContact CG2-CD2 4.43Å; I106-Y139 HydrophobicContact CG2-CG 4.15Å; L135-Y139 VanDerWaalsContact O-CB 3.32Å; L135-Y139 WeakPolarHBondContact O-CB 3.4Å; L135-Y139 PolarHBondContact O-N 3.06Å; V136-Y139 WeakPolarHBondContact O-CB 3.12Å; V136-Y139 PolarHBondContact O-N 3.41Å; Y139-M142 HydrophobicContact CD2-CE 3.79Å; Y139-M142 HydrophobicContact CE2-CE 4.4Å; Y139-M142 PolarHBondContact O-N 3.03Å; Y139-M143 HydrophobicContact CD2-CE 4.1Å; Y139-M143 HydrophobicContact CD2-CG 4.22Å; Y139-M143 HydrophobicContact CE2-CE 3.72Å; Y139-M143 HydrophobicContact CE2-CG 3.96Å; Y139-M143 HydrophobicContact CE2-SD 4.36Å; Y139-M143 WeakPolarHBondContact O-CG 3.39Å; Y139-M143 PolarHBondContact O-N 3.34Å; Y139-M143 VanDerWaalsContact O-N 3.08Å; Y139-Y184 PolarHBondContact OH-OH 3.49Å; Y139-L191 HydrophobicContact CD1-CD2 4.01Å; Y139-L191 HydrophobicContact CE1-CD2 3.59Å; Y139-E194 PolarHBondContact OH-OE2 2.97Å; Y139-F195 AromaticContact CD1-CE2 3.77Å; Y139-F195 HydrophobicContact CD1-CE2 3.77Å; Y139-F195 AromaticContact CD1-CZ 4Å; Y139-F195 HydrophobicContact CD1-CZ 4Å; Y139-F195 AromaticContact CE1-CE2 3.83Å; Y139-F195 HydrophobicContact CE1-CE2 3.83Å; Y139-F195 HydrophobicContact CE1-CZ 4.42Å |
| 140 | V | 97.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | 174.5 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | V136 T137 G138 M142 M143 I144 L191 F263 M267 | V136-V140 WeakPolarHBondContact O-CG2 3.4Å; V136-V140 PolarHBondContact O-N 3.45Å; V136-V140 VanDerWaalsContact O-N 3.08Å; T137-V140 PolarHBondContact O-N 3.45Å; G138-V140 PolarHBondContact O-N 3.49Å; V140-M142 VanDerWaalsContact C-N 3.3Å; V140-M142 PolarHBondContact O-N 3.46Å; V140-M143 PolarHBondContact O-N 3.18Å; V140-I144 HydrophobicContact CG1-CD1 3.66Å; V140-I144 HydrophobicContact CG1-CG1 4.36Å; V140-I144 WeakPolarHBondContact O-CG1 3.32Å; V140-I144 PolarHBondContact O-N 3Å; V140-L191 HydrophobicContact CB-CD1 4.29Å; V140-L191 HydrophobicContact CG1-CD1 4.04Å; V140-L191 HydrophobicContact CG2-CD1 4.15Å; V140-F263 HydrophobicContact CB-CB 4.43Å; V140-F263 HydrophobicContact CB-CG 4.37Å; V140-F263 HydrophobicContact CG1-CB 4.1Å; V140-F263 HydrophobicContact CG1-CD1 3.73Å; V140-F263 HydrophobicContact CG1-CD2 4.32Å; V140-F263 HydrophobicContact CG1-CE1 4.22Å; V140-F263 HydrophobicContact CG1-CG 3.8Å; V140-F263 HydrophobicContact CG2-CB 4.46Å; V140-M267 HydrophobicContact CG2-CE 3.57Å; V140-M267 HydrophobicContact CG2-CG 4.38Å; V140-M267 HydrophobicContact CG2-SD 3.25Å; V140-M267 WeakPolarHBondContact CG2-SD 3.38Å |
| 141 | S | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.3 | -41.1 | -178.9 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | T137 G138 I144 L145 R259 | T137-S141 WeakPolarHBondContact O-CB 3.33Å; T137-S141 PolarHBondContact O-N 3.15Å; T137-S141 PolarHBondContact O-OG 3.21Å; G138-S141 PolarHBondContact O-N 3.42Å; S141-I144 PolarHBondContact O-N 3.22Å; S141-L145 VanDerWaalsContact O-CB 3.25Å; S141-L145 WeakPolarHBondContact O-CB 3.39Å; S141-L145 PolarHBondContact O-N 3.19Å; S141-R259 PolarHBondContact OG-NH2 3.03Å; S141-R259 VanDerWaalsContact OG-NH2 3.16Å |
| 142 | M | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -60.7 | -46 | 176.6 | -176.3 | 173.6 | 60.3 | 0 | 0 | 111.9 | I26 I27 L30 L99 L102 I106 G138 Y139 V140 L145 L146 | I26-M142 HydrophobicContact CB-SD 4.15Å; I26-M142 HydrophobicContact CG2-CG 4.34Å; I26-M142 HydrophobicContact CG2-SD 3.6Å; I27-M142 HydrophobicContact CD1-CB 4.18Å; I27-M142 HydrophobicContact CG1-CB 3.78Å; I27-M142 HydrophobicContact CG1-CG 4.2Å; L30-M142 HydrophobicContact CD1-CG 3.76Å; L99-M142 HydrophobicContact CD1-CG 3.98Å; L99-M142 HydrophobicContact CD1-SD 4.27Å; L99-M142 HydrophobicContact CG-CG 4.28Å; L99-M142 HydrophobicContact CG-SD 3.98Å; L102-M142 HydrophobicContact CD2-CE 4.07Å; L102-M142 HydrophobicContact CD2-SD 3.83Å; L102-M142 HydrophobicContact CG-CE 4.4Å; I106-M142 HydrophobicContact CD1-CE 4.31Å; G138-M142 VanDerWaalsContact O-CB 3.29Å; G138-M142 WeakPolarHBondContact O-CB 3.49Å; G138-M142 PolarHBondContact O-N 3.12Å; Y139-M142 HydrophobicContact CD2-CE 3.79Å; Y139-M142 HydrophobicContact CE2-CE 4.4Å; Y139-M142 PolarHBondContact O-N 3.03Å; V140-M142 VanDerWaalsContact C-N 3.3Å; V140-M142 PolarHBondContact O-N 3.46Å; M142-L145 PolarHBondContact O-N 3.11Å; M142-L146 WeakPolarHBondContact O-CB 3.44Å; M142-L146 PolarHBondContact O-N 3.28Å |
| 143 | M | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71.2 | -35.3 | -180 | -65.6 | -61 | 133 | 0 | 0 | 112.9 | L99 K103 Y139 V140 L146 S147 Y184 P187 L191 | L99-M143 HydrophobicContact CD2-CE 3.57Å; L99-M143 HydrophobicContact CD2-SD 4.49Å; L99-M143 HydrophobicContact CG-CE 4.14Å; K103-M143 HydrophobicContact CB-CE 4.25Å; K103-M143 HydrophobicContact CD-CE 4.47Å; Y139-M143 HydrophobicContact CD2-CE 4.1Å; Y139-M143 HydrophobicContact CD2-CG 4.22Å; Y139-M143 HydrophobicContact CE2-CE 3.72Å; Y139-M143 HydrophobicContact CE2-CG 3.96Å; Y139-M143 HydrophobicContact CE2-SD 4.36Å; Y139-M143 WeakPolarHBondContact O-CG 3.39Å; Y139-M143 PolarHBondContact O-N 3.34Å; Y139-M143 VanDerWaalsContact O-N 3.08Å; V140-M143 PolarHBondContact O-N 3.18Å; M143-L146 HydrophobicContact SD-CD2 4.21Å; M143-S147 PolarHBondContact O-N 3.31Å; M143-S147 VanDerWaalsContact O-N 3.15Å; M143-Y184 HydrophobicContact CB-CD1 3.74Å; M143-Y184 HydrophobicContact CB-CE1 4Å; M143-Y184 HydrophobicContact CB-CG 4.43Å; M143-Y184 HydrophobicContact CG-CD1 3.81Å; M143-Y184 HydrophobicContact CG-CE1 3.62Å; M143-Y184 HydrophobicContact CG-CG 4.43Å; M143-Y184 HydrophobicContact SD-CD1 3.77Å; M143-Y184 HydrophobicContact SD-CD2 3.77Å; M143-Y184 HydrophobicContact SD-CE1 3.72Å; M143-Y184 HydrophobicContact SD-CE2 3.71Å; M143-Y184 HydrophobicContact SD-CG 3.8Å; M143-P187 HydrophobicContact CB-CB 4.4Å; M143-L191 HydrophobicContact CB-CD1 4.2Å; M143-L191 HydrophobicContact CG-CD2 4.4Å |
| 144 | I | 96.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -68.4 | -41.7 | 173 | -65.5 | 171.1 | 0 | 0 | 0 | 110.7 | V140 S141 L146 S147 R148 P187 L188 F263 L293 F299 | V140-I144 HydrophobicContact CG1-CD1 3.66Å; V140-I144 HydrophobicContact CG1-CG1 4.36Å; V140-I144 WeakPolarHBondContact O-CG1 3.32Å; V140-I144 PolarHBondContact O-N 3Å; S141-I144 PolarHBondContact O-N 3.22Å; I144-L146 VanDerWaalsContact C-N 3.34Å; I144-S147 PolarHBondContact O-N 3.17Å; I144-S147 PolarHBondContact O-OG 3.3Å; I144-R148 WeakPolarHBondContact O-CG 3.37Å; I144-R148 PolarHBondContact O-N 3.36Å; I144-P187 HydrophobicContact CG1-CB 4.23Å; I144-P187 HydrophobicContact CG1-CG 4.05Å; I144-L188 HydrophobicContact CD1-CD2 4.27Å; I144-F263 HydrophobicContact CD1-CE1 4.02Å; I144-L293 HydrophobicContact CB-CD2 4.02Å; I144-L293 HydrophobicContact CD1-CD2 4.04Å; I144-L293 HydrophobicContact CG2-CD1 3.68Å; I144-L293 HydrophobicContact CG2-CD2 3.87Å; I144-L293 HydrophobicContact CG2-CG 4.47Å; I144-F299 HydrophobicContact CD1-CD2 4.17Å; I144-F299 HydrophobicContact CD1-CE2 4.13Å; I144-F299 HydrophobicContact CG2-CD2 4.48Å |
| 145 | L | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 177.9 | -173.4 | 60.9 | 0 | 0 | 0 | 111.2 | I27 L30 K34 S141 M142 S147 R148 E297 | I27-L145 HydrophobicContact CG2-CD2 3.97Å; L30-L145 HydrophobicContact CB-CD2 3.81Å; L30-L145 HydrophobicContact CB-CG 4.2Å; L30-L145 HydrophobicContact CD1-CD2 4.48Å; K34-L145 HydrophobicContact CD-CD1 3.92Å; S141-L145 VanDerWaalsContact O-CB 3.25Å; S141-L145 WeakPolarHBondContact O-CB 3.39Å; S141-L145 PolarHBondContact O-N 3.19Å; M142-L145 PolarHBondContact O-N 3.11Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 3.38Å; L145-R148 WeakPolarHBondContact O-CB 3.46Å; L145-R148 PolarHBondContact O-N 3.02Å; L145-R148 VanDerWaalsContact O-N 3.11Å; L145-E297 HydrophobicContact CD1-CG 4.25Å |
| 146 | L | 97.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -55 | -45.7 | 172.2 | 174 | 62.3 | 0 | 0 | 0 | 111.8 | L30 F96 L99 M142 M143 I144 R148 I149 R152 M180 I181 | L30-L146 HydrophobicContact CD1-CB 4.5Å; F96-L146 HydrophobicContact CD1-CD1 3.65Å; F96-L146 HydrophobicContact CE1-CD1 3.41Å; F96-L146 VanDerWaalsContact CE1-CD1 3.41Å; L99-L146 HydrophobicContact CD1-CB 4.46Å; L99-L146 HydrophobicContact CD1-CD1 4.34Å; L99-L146 HydrophobicContact CD1-CD2 4.21Å; L99-L146 HydrophobicContact CD2-CD2 4.05Å; M142-L146 WeakPolarHBondContact O-CB 3.44Å; M142-L146 PolarHBondContact O-N 3.28Å; M143-L146 HydrophobicContact SD-CD2 4.21Å; I144-L146 VanDerWaalsContact C-N 3.34Å; L146-R148 PolarHBondContact O-N 3.27Å; L146-I149 PolarHBondContact O-N 3.25Å; L146-R152 VanDerWaalsContact O-CD 3.22Å; L146-R152 WeakPolarHBondContact O-CD 3.45Å; L146-M180 HydrophobicContact CD2-CE 4.2Å; L146-I181 HydrophobicContact CD1-CD1 3.72Å; L146-I181 HydrophobicContact CD2-CD1 4.17Å; L146-I181 HydrophobicContact CG-CD1 4.25Å |
| 147 | S | 95.8 | Very high | 96 | Very high | 20 Ų | 20 | 13.5 Ų | 13.5 | 14% | 0.14 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -67.4 | -17.9 | -178.7 | 81.6 | 0 | 0 | 0 | 0 | 113.3 | M143 I144 L145 R152 Y184 | M143-S147 PolarHBondContact O-N 3.31Å; M143-S147 VanDerWaalsContact O-N 3.15Å; I144-S147 PolarHBondContact O-N 3.17Å; I144-S147 PolarHBondContact O-OG 3.3Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 3.38Å; S147-R152 PolarHBondContact O-NH1 3.07Å; S147-R152 PolarHBondContact O-NH2 3.39Å; S147-Y184 WeakPolarHBondContact CB-O 3.42Å |
| 148 | R | 95.3 | Very high | 95.8 | Very high | 38 Ų | 38 | 13.4 Ų | 13.4 | 14% | 0.143 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -2.6 | 179.3 | -69.4 | 177.8 | 177.3 | -160.6 | 1.8 | 114.6 | K34 I144 L145 L146 D150 L293 E297 V298 | K34-R148 HydrophobicContact CD-CB 4.4Å; I144-R148 WeakPolarHBondContact O-CG 3.37Å; I144-R148 PolarHBondContact O-N 3.36Å; L145-R148 WeakPolarHBondContact O-CB 3.46Å; L145-R148 PolarHBondContact O-N 3.02Å; L145-R148 VanDerWaalsContact O-N 3.11Å; L146-R148 PolarHBondContact O-N 3.27Å; R148-D150 PolarHBondContact O-N 3.15Å; R148-L293 VanDerWaalsContact NH1-CD1 3.33Å; R148-E297 IonicContact NH1-OE2 3.91Å; R148-V298 PolarHBondContact NH1-O 2.9Å; R148-V298 PolarHBondContact NH2-O 2.67Å |
| 149 | I | 95.7 | Very high | 95.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | trans | -86.2 | 94.4 | 172.8 | -59.4 | 168.3 | 0 | 0 | 0 | 107.7 | L30 I33 K34 F96 L146 D151 R152 | L30-I149 HydrophobicContact CB-CD1 4.42Å; L30-I149 HydrophobicContact CD2-CD1 3.92Å; I33-I149 HydrophobicContact CG2-CD1 4.04Å; I33-I149 HydrophobicContact CG2-CG2 4.14Å; K34-I149 HydrophobicContact CB-CG1 3.94Å; K34-I149 HydrophobicContact CG-CG1 4.31Å; F96-I149 HydrophobicContact CE1-CD1 4.07Å; F96-I149 HydrophobicContact CZ-CD1 4.08Å; L146-I149 PolarHBondContact O-N 3.25Å; I149-D151 VanDerWaalsContact C-N 3.3Å; I149-D151 PolarHBondContact O-N 3.39Å; I149-R152 HydrophobicContact CB-CB 4.2Å; I149-R152 HydrophobicContact CG2-CB 4.04Å; I149-R152 VanDerWaalsContact O-CB 3.31Å; I149-R152 WeakPolarHBondContact O-CB 3.41Å; I149-R152 VanDerWaalsContact O-CD 3.26Å; I149-R152 WeakPolarHBondContact O-CD 3.35Å; I149-R152 WeakPolarHBondContact O-CG 3.44Å; I149-R152 PolarHBondContact O-N 3.4Å; I149-R152 VanDerWaalsContact O-N 3.14Å; I149-R152 PolarHBondContact O-NH1 2.87Å | ||
| 150 | D | 93 | Very high | 95.4 | Very high | 125 Ų | 125 | 13.8 Ų | 13.8 | 67% | 0.668 | 7% | 0.069 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58 | -41.2 | -174 | -71.5 | -31.8 | 0 | 0 | 0 | 112.7 | R148 R152 | R148-D150 PolarHBondContact O-N 3.15Å; D150-R152 VanDerWaalsContact C-N 3.25Å; D150-R152 PolarHBondContact O-N 3.18Å |
| 151 | D | 94.1 | Very high | 95.2 | Very high | 30 Ų | 30 | 13.8 Ų | 13.8 | 16% | 0.16 | 7% | 0.069 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 3.1 | -178.8 | -61.5 | -76.1 | 0 | 0 | 0 | 114.6 | K43 L47 I149 K153 A154 V155 | K43-D151 WeakPolarHBondContact CE-OD2 3.33Å; K43-D151 IonicContact NZ-OD1 3.05Å; K43-D151 PolarHBondContact NZ-OD1 2.87Å; K43-D151 IonicContact NZ-OD2 3.79Å; K43-D151 PolarHBondContact NZ-OD2 3.34Å; L47-D151 HydrophobicContact CD1-CB 4.04Å; I149-D151 VanDerWaalsContact C-N 3.3Å; I149-D151 PolarHBondContact O-N 3.39Å; D151-K153 VanDerWaalsContact C-N 3.31Å; D151-K153 PolarHBondContact O-N 3.2Å; D151-A154 WeakPolarHBondContact O-CA 3.3Å; D151-A154 WeakPolarHBondContact O-CB 3.41Å; D151-A154 PolarHBondContact O-N 3.09Å; D151-V155 HydrophobicContact CB-CG2 4.28Å; D151-V155 WeakPolarHBondContact O-CG2 3.47Å; D151-V155 PolarHBondContact O-N 3.36Å |
| 152 | R | 94.8 | Very high | 94.9 | Very high | 19 Ų | 19 | 13.7 Ų | 13.7 | 7% | 0.072 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -55.1 | -41.4 | -175.1 | 67.8 | -165.9 | 176.2 | -85.3 | 6.7 | 113.6 | F96 L146 S147 I149 D150 L156 I181 | F96-R152 HydrophobicContact CE1-CB 4.48Å; F96-R152 HydrophobicContact CZ-CB 4.21Å; L146-R152 VanDerWaalsContact O-CD 3.22Å; L146-R152 WeakPolarHBondContact O-CD 3.45Å; S147-R152 PolarHBondContact O-NH1 3.07Å; S147-R152 PolarHBondContact O-NH2 3.39Å; I149-R152 HydrophobicContact CB-CB 4.2Å; I149-R152 HydrophobicContact CG2-CB 4.04Å; I149-R152 VanDerWaalsContact O-CB 3.31Å; I149-R152 WeakPolarHBondContact O-CB 3.41Å; I149-R152 VanDerWaalsContact O-CD 3.26Å; I149-R152 WeakPolarHBondContact O-CD 3.35Å; I149-R152 WeakPolarHBondContact O-CG 3.44Å; I149-R152 PolarHBondContact O-N 3.4Å; I149-R152 VanDerWaalsContact O-N 3.14Å; I149-R152 PolarHBondContact O-NH1 2.87Å; D150-R152 VanDerWaalsContact C-N 3.25Å; D150-R152 PolarHBondContact O-N 3.18Å; R152-L156 WeakPolarHBondContact O-CB 3.34Å; R152-L156 VanDerWaalsContact O-CG 3.23Å; R152-L156 WeakPolarHBondContact O-CG 3.5Å; R152-L156 PolarHBondContact O-N 3.5Å; R152-L156 VanDerWaalsContact O-N 3.14Å; R152-I181 HydrophobicContact CG-CG2 4.07Å |
| 153 | K | 95.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 16.9 Ų | 16.9 | 13% | 0.13 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -66.8 | -39.9 | 177 | -66.4 | -178 | -176.2 | 175.1 | 0 | 111.1 | T60 F63 D151 G157 I181 E185 | T60-K153 HydrophobicContact CG2-CB 4.29Å; T60-K153 HydrophobicContact CG2-CD 4.34Å; F63-K153 HydrophobicContact CB-CB 4.33Å; F63-K153 HydrophobicContact CB-CD 4.22Å; F63-K153 HydrophobicContact CB-CG 4.4Å; F63-K153 HydrophobicContact CD1-CB 4.31Å; F63-K153 HydrophobicContact CD1-CD 4.1Å; F63-K153 HydrophobicContact CD1-CG 3.81Å; F63-K153 HydrophobicContact CD2-CB 3.92Å; F63-K153 HydrophobicContact CD2-CG 4.33Å; F63-K153 WeakPolarHBondContact CD2-O 3.48Å; F63-K153 HydrophobicContact CE1-CG 4.13Å; F63-K153 HydrophobicContact CE2-CB 4.31Å; F63-K153 WeakPolarHBondContact CE2-O 3.5Å; F63-K153 HydrophobicContact CG-CB 3.91Å; F63-K153 HydrophobicContact CG-CD 4.21Å; F63-K153 HydrophobicContact CG-CG 3.92Å; D151-K153 VanDerWaalsContact C-N 3.31Å; D151-K153 PolarHBondContact O-N 3.2Å; K153-G157 PolarHBondContact O-N 2.84Å; K153-I181 HydrophobicContact CG-CG2 4.06Å; K153-E185 IonicContact NZ-OE1 3.81Å; K153-E185 PolarHBondContact NZ-OE1 3.3Å; K153-E185 IonicContact NZ-OE2 3.49Å |
| 154 | A | 94 | Very high | 94.4 | Very high | 2 Ų | 2 | 17.7 Ų | 17.7 | 2% | 0.017 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -68.7 | -47.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L47 I56 D151 G157 L158 | L47-A154 HydrophobicContact CD2-CB 3.89Å; I56-A154 HydrophobicContact CG2-CB 3.91Å; D151-A154 WeakPolarHBondContact O-CA 3.3Å; D151-A154 WeakPolarHBondContact O-CB 3.41Å; D151-A154 PolarHBondContact O-N 3.09Å; A154-G157 PolarHBondContact O-N 3.02Å; A154-L158 VanDerWaalsContact O-CB 3.24Å; A154-L158 WeakPolarHBondContact O-CB 3.49Å; A154-L158 WeakPolarHBondContact O-CG 3.37Å; A154-L158 PolarHBondContact O-N 2.52Å |
| 155 | V | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 20.4 Ų | 20.4 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -58.9 | -51.9 | 178.2 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | L47 L89 Y92 F96 D151 Y159 | L47-V155 HydrophobicContact CD1-CG2 3.84Å; L47-V155 HydrophobicContact CD2-CG2 4.31Å; L89-V155 HydrophobicContact CD2-CG1 4.37Å; Y92-V155 HydrophobicContact CD1-CG1 4.29Å; Y92-V155 HydrophobicContact CG-CG1 4.24Å; F96-V155 HydrophobicContact CE2-CG1 4.47Å; D151-V155 HydrophobicContact CB-CG2 4.28Å; D151-V155 WeakPolarHBondContact O-CG2 3.47Å; D151-V155 PolarHBondContact O-N 3.36Å; V155-Y159 WeakPolarHBondContact O-CB 3.24Å; V155-Y159 PolarHBondContact O-N 2.87Å |
| 156 | L | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.5 | -44.2 | -178.6 | -68.1 | 176.6 | 0 | 0 | 0 | 112 | F63 Y93 F96 R152 N160 F174 L177 I181 | F63-L156 HydrophobicContact CE2-CB 3.98Å; F63-L156 HydrophobicContact CZ-CB 4.27Å; F63-L156 HydrophobicContact CZ-CD1 4.2Å; Y93-L156 HydrophobicContact CD2-CD2 3.51Å; Y93-L156 HydrophobicContact CE2-CD2 3.89Å; Y93-L156 HydrophobicContact CG-CD2 4.35Å; F96-L156 HydrophobicContact CB-CD2 3.99Å; F96-L156 HydrophobicContact CD2-CD1 4.45Å; F96-L156 HydrophobicContact CD2-CD2 3.59Å; F96-L156 HydrophobicContact CD2-CG 4.11Å; F96-L156 HydrophobicContact CE2-CD2 4.41Å; F96-L156 HydrophobicContact CG-CD1 4.45Å; F96-L156 HydrophobicContact CG-CD2 4.05Å; R152-L156 WeakPolarHBondContact O-CB 3.34Å; R152-L156 VanDerWaalsContact O-CG 3.23Å; R152-L156 WeakPolarHBondContact O-CG 3.5Å; R152-L156 PolarHBondContact O-N 3.5Å; R152-L156 VanDerWaalsContact O-N 3.14Å; L156-N160 WeakPolarHBondContact O-CB 3.1Å; L156-N160 PolarHBondContact O-N 2.93Å; L156-F174 HydrophobicContact CB-CE2 4.12Å; L156-F174 WeakPolarHBondContact O-CE2 3.25Å; L156-L177 HydrophobicContact CD1-CD2 4.04Å; L156-L177 HydrophobicContact CD1-CG 4.12Å; L156-L177 HydrophobicContact CD2-CD2 3.57Å; L156-L177 HydrophobicContact CG-CD2 4.41Å; L156-I181 HydrophobicContact CD1-CD1 3.94Å; L156-I181 HydrophobicContact CD1-CG1 3.65Å |
| 157 | G | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -70.4 | -37.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | M66 K153 A154 A161 | M66-G157 VanDerWaalsContact SD-O 3.36Å; K153-G157 PolarHBondContact O-N 2.84Å; A154-G157 PolarHBondContact O-N 3.02Å; G157-A161 VanDerWaalsContact O-CB 3.3Å; G157-A161 WeakPolarHBondContact O-CB 3.31Å; G157-A161 PolarHBondContact O-N 3.31Å |
| 158 | L | 93.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.7 | -44 | 174 | -81.5 | 174.4 | 0 | 0 | 0 | 111.5 | L47 I56 I59 V78 L89 A154 A161 A162 | L47-L158 HydrophobicContact CD2-CD1 3.75Å; I56-L158 HydrophobicContact CD1-CD1 4.17Å; I56-L158 HydrophobicContact CG1-CD1 3.82Å; I56-L158 HydrophobicContact CG1-CD2 4.25Å; I56-L158 HydrophobicContact CG1-CG 4.24Å; I59-L158 HydrophobicContact CD1-CB 4.43Å; I59-L158 HydrophobicContact CD1-CD2 3.56Å; I59-L158 HydrophobicContact CD1-CG 3.76Å; V78-L158 HydrophobicContact CG2-CD2 4.38Å; L89-L158 HydrophobicContact CD1-CB 4.04Å; A154-L158 VanDerWaalsContact O-CB 3.24Å; A154-L158 WeakPolarHBondContact O-CB 3.49Å; A154-L158 WeakPolarHBondContact O-CG 3.37Å; A154-L158 PolarHBondContact O-N 2.52Å; L158-A161 PolarHBondContact O-N 2.86Å; L158-A162 WeakPolarHBondContact O-CB 3.45Å; L158-A162 PolarHBondContact O-N 2.88Å |
| 159 | Y | 94.8 | Very high | 92.8 | Very high | 19 Ų | 19 | 32.9 Ų | 32.9 | 8% | 0.075 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.7 | -49.9 | 176 | 179.7 | -89.6 | 0 | 0 | 0 | 111 | I86 L89 Y93 V155 A161 A162 Y163 E171 | I86-Y159 HydrophobicContact CB-CE2 4.42Å; I86-Y159 HydrophobicContact CG2-CE2 3.95Å; I86-Y159 WeakPolarHBondContact O-CE2 3.31Å; L89-Y159 HydrophobicContact CB-CD2 3.92Å; Y93-Y159 AromaticContact CD1-CD1 3.86Å; Y93-Y159 HydrophobicContact CD1-CD1 3.86Å; Y93-Y159 AromaticContact CD1-CE1 3.48Å; Y93-Y159 HydrophobicContact CD1-CE1 3.48Å; Y93-Y159 VanDerWaalsContact CD1-CE1 3.48Å; Y93-Y159 AromaticContact CD2-CD1 3.14Å; Y93-Y159 HydrophobicContact CD2-CD1 3.14Å; Y93-Y159 AromaticContact CD2-CE1 3.71Å; Y93-Y159 HydrophobicContact CD2-CE1 3.71Å; Y93-Y159 AromaticContact CD2-CG 3.67Å; Y93-Y159 HydrophobicContact CD2-CG 3.67Å; Y93-Y159 HydrophobicContact CE1-CD1 4.23Å; Y93-Y159 AromaticContact CE1-CE1 3.85Å; Y93-Y159 HydrophobicContact CE1-CE1 3.85Å; Y93-Y159 AromaticContact CE2-CD1 3.56Å; Y93-Y159 HydrophobicContact CE2-CD1 3.56Å; Y93-Y159 HydrophobicContact CE2-CE1 4.04Å; Y93-Y159 HydrophobicContact CE2-CG 4.44Å; Y93-Y159 AromaticContact CG-CD1 3.32Å; Y93-Y159 HydrophobicContact CG-CD1 3.32Å; Y93-Y159 HydrophobicContact CG-CD2 4.36Å; Y93-Y159 AromaticContact CG-CE1 3.42Å; Y93-Y159 HydrophobicContact CG-CE1 3.42Å; Y93-Y159 VanDerWaalsContact CG-CE1 3.42Å; Y93-Y159 HydrophobicContact CG-CE2 4.45Å; Y93-Y159 AromaticContact CG-CG 3.81Å; Y93-Y159 HydrophobicContact CG-CG 3.81Å; V155-Y159 WeakPolarHBondContact O-CB 3.24Å; V155-Y159 PolarHBondContact O-N 2.87Å; Y159-A161 VanDerWaalsContact C-N 3.32Å; Y159-A161 PolarHBondContact O-N 3.42Å; Y159-A162 PolarHBondContact O-N 3.04Å; Y159-Y163 HydrophobicContact CE1-CD2 4.35Å; Y159-Y163 VanDerWaalsContact O-CB 3.27Å; Y159-Y163 WeakPolarHBondContact O-CB 3.39Å; Y159-Y163 PolarHBondContact O-N 3.4Å; Y159-E171 HydrophobicContact CE1-CG 4.12Å |
| 160 | N | 93.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -63.2 | -37.3 | 178.6 | -176.7 | 65.3 | 0 | 0 | 0 | 112.4 | L156 Y163 E164 E171 F174 | L156-N160 WeakPolarHBondContact O-CB 3.1Å; L156-N160 PolarHBondContact O-N 2.93Å; N160-Y163 PolarHBondContact O-N 2.88Å; N160-E164 WeakPolarHBondContact O-CB 3.17Å; N160-E164 PolarHBondContact O-N 2.93Å; N160-E171 PolarHBondContact OD1-N 3.12Å; N160-F174 HydrophobicContact CB-CB 4.36Å; N160-F174 HydrophobicContact CB-CD1 4.01Å; N160-F174 HydrophobicContact CB-CD2 3.49Å; N160-F174 VanDerWaalsContact CB-CD2 3.49Å; N160-F174 HydrophobicContact CB-CE1 4.11Å; N160-F174 HydrophobicContact CB-CE2 3.61Å; N160-F174 HydrophobicContact CB-CG 3.68Å; N160-F174 HydrophobicContact CB-CZ 3.92Å; N160-F174 WeakPolarHBondContact ND2-CD1 3.4Å; N160-F174 VanDerWaalsContact ND2-CE1 3.3Å; N160-F174 WeakPolarHBondContact ND2-CE1 3.41Å |
| 161 | A | 91.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.5 | -46.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M66 N68 F75 G157 L158 Y159 Y163 E164 L165 | M66-A161 HydrophobicContact CE-CB 3.58Å; N68-A161 WeakPolarHBondContact ND2-CA 3.38Å; F75-A161 HydrophobicContact CD1-CB 4.19Å; F75-A161 HydrophobicContact CE1-CB 3.94Å; G157-A161 VanDerWaalsContact O-CB 3.3Å; G157-A161 WeakPolarHBondContact O-CB 3.31Å; G157-A161 PolarHBondContact O-N 3.31Å; L158-A161 PolarHBondContact O-N 2.86Å; Y159-A161 VanDerWaalsContact C-N 3.32Å; Y159-A161 PolarHBondContact O-N 3.42Å; A161-Y163 VanDerWaalsContact C-N 3.31Å; A161-Y163 PolarHBondContact O-N 3.33Å; A161-E164 PolarHBondContact O-N 3.35Å; A161-L165 WeakPolarHBondContact O-CB 3.43Å; A161-L165 VanDerWaalsContact O-CG 3.28Å; A161-L165 WeakPolarHBondContact O-CG 3.23Å; A161-L165 PolarHBondContact O-N 3.08Å |
| 162 | A | 92.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V78 R82 M85 I86 L158 Y159 L165 H166 | V78-A162 HydrophobicContact CG1-CB 4.29Å; R82-A162 HydrophobicContact CB-CB 4.11Å; M85-A162 HydrophobicContact CB-CB 3.98Å; M85-A162 HydrophobicContact SD-CB 4.33Å; I86-A162 HydrophobicContact CD1-CB 4.49Å; I86-A162 HydrophobicContact CG1-CB 3.89Å; L158-A162 WeakPolarHBondContact O-CB 3.45Å; L158-A162 PolarHBondContact O-N 2.88Å; Y159-A162 PolarHBondContact O-N 3.04Å; A162-L165 PolarHBondContact O-N 3.28Å; A162-H166 WeakPolarHBondContact O-CB 3.21Å; A162-H166 PolarHBondContact O-N 3.45Å |
| 163 | Y | 92.9 | Very high | 92.1 | Very high | 66 Ų | 66 | 36.6 Ų | 36.6 | 26% | 0.259 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61.5 | -46.9 | 176.5 | -169.5 | -85.2 | 0 | 0 | 0 | 112 | Y159 N160 A161 H166 N167 L169 E171 | Y159-Y163 HydrophobicContact CE1-CD2 4.35Å; Y159-Y163 VanDerWaalsContact O-CB 3.27Å; Y159-Y163 WeakPolarHBondContact O-CB 3.39Å; Y159-Y163 PolarHBondContact O-N 3.4Å; N160-Y163 PolarHBondContact O-N 2.88Å; A161-Y163 VanDerWaalsContact C-N 3.31Å; A161-Y163 PolarHBondContact O-N 3.33Å; Y163-H166 PolarHBondContact O-N 3.04Å; Y163-N167 HydrophobicContact CD1-CB 4.38Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.36Å; Y163-N167 HydrophobicContact CE1-CB 4.11Å; Y163-N167 VanDerWaalsContact CE1-ND2 3.32Å; Y163-N167 WeakPolarHBondContact CE1-ND2 3.42Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.28Å; Y163-N167 WeakPolarHBondContact O-CB 3.45Å; Y163-N167 PolarHBondContact O-N 2.71Å; Y163-N167 PolarHBondContact O-ND2 3.26Å; Y163-L169 WeakPolarHBondContact CD1-O 3.29Å; Y163-E171 HydrophobicContact CD1-CB 4.01Å; Y163-E171 HydrophobicContact CD1-CG 4.43Å; Y163-E171 HydrophobicContact CD2-CG 4.48Å; Y163-E171 HydrophobicContact CE1-CB 4.26Å; Y163-E171 HydrophobicContact CE1-CG 4.41Å; Y163-E171 HydrophobicContact CE2-CG 4.46Å; Y163-E171 HydrophobicContact CG-CB 4.28Å; Y163-E171 HydrophobicContact CG-CG 4.47Å |
| 164 | E | 91.2 | Very high | 92.1 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.7 | -42 | 176.6 | -171.5 | -168.1 | 167.9 | 0 | 0 | 112 | N68 N160 A161 H166 G168 L169 H170 | N68-E164 WeakPolarHBondContact CB-OE2 3.21Å; N68-E164 PolarHBondContact ND2-OE2 3.41Å; N160-E164 WeakPolarHBondContact O-CB 3.17Å; N160-E164 PolarHBondContact O-N 2.93Å; A161-E164 PolarHBondContact O-N 3.35Å; E164-H166 PolarHBondContact O-N 3.37Å; E164-G168 WeakPolarHBondContact O-CA 3.46Å; E164-G168 PolarHBondContact O-N 2.99Å; E164-L169 WeakPolarHBondContact CA-O 3.4Å; E164-H170 IonicContact OE1-CE1 2.6Å; E164-H170 IonicContact OE2-CE1 2.71Å; E164-H170 PolarHBondContact OE2-CE1 2.88Å; E164-H170 IonicContact OE2-ND1 2.72Å; E164-H170 PolarHBondContact OE2-ND1 3.36Å; E164-H170 IonicContact OE2-NE2 3.47Å |
| 165 | L | 90 | Very high | 92 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 30% | 0.298 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.8 | -26.6 | 175.2 | -72.2 | 171.3 | 0 | 0 | 0 | 112.8 | F75 V78 R82 A161 A162 | F75-L165 HydrophobicContact CB-CD1 4.38Å; V78-L165 HydrophobicContact CB-CD1 4.08Å; V78-L165 HydrophobicContact CG1-CD1 3.77Å; R82-L165 PolarHBondContact NE-O 3.39Å; A161-L165 WeakPolarHBondContact O-CB 3.43Å; A161-L165 VanDerWaalsContact O-CG 3.28Å; A161-L165 WeakPolarHBondContact O-CG 3.23Å; A161-L165 PolarHBondContact O-N 3.08Å; A162-L165 PolarHBondContact O-N 3.28Å |
| 166 | H | 90.4 | Very high | 92 | Very high | 79 Ų | 79 | 45 Ų | 45 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -85.8 | -45.6 | 178.4 | -171.9 | 61.8 | 0 | 0 | 0 | 112.7 | R82 Q83 I86 A162 Y163 E164 | R82-H166 HydrophobicContact CG-CB 4.43Å; Q83-H166 PolarHBondContact NE2-CE1 3.15Å; I86-H166 HydrophobicContact CD1-CB 3.66Å; A162-H166 WeakPolarHBondContact O-CB 3.21Å; A162-H166 PolarHBondContact O-N 3.45Å; Y163-H166 PolarHBondContact O-N 3.04Å; E164-H166 PolarHBondContact O-N 3.37Å |
| 167 | N | 91.3 | Very high | 92 | Very high | 78 Ų | 78 | 45 Ų | 45 | 42% | 0.417 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -105 | -10.2 | -170 | -63.3 | -45.9 | 0 | 0 | 0 | 114.4 | Y163 L169 | Y163-N167 HydrophobicContact CD1-CB 4.38Å; Y163-N167 WeakPolarHBondContact CD2-ND2 3.36Å; Y163-N167 HydrophobicContact CE1-CB 4.11Å; Y163-N167 VanDerWaalsContact CE1-ND2 3.32Å; Y163-N167 WeakPolarHBondContact CE1-ND2 3.42Å; Y163-N167 WeakPolarHBondContact CE2-ND2 3.28Å; Y163-N167 WeakPolarHBondContact O-CB 3.45Å; Y163-N167 PolarHBondContact O-N 2.71Å; Y163-N167 PolarHBondContact O-ND2 3.26Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 2.85Å |
| 168 | G | 87.1 | Confident | 92.1 | Very high | 40 Ų | 40 | 45 Ų | 45 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 78.8 | 0.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E164 | E164-G168 WeakPolarHBondContact O-CA 3.46Å; E164-G168 PolarHBondContact O-N 2.99Å |
| 169 | L | 89.2 | Confident | 92.2 | Very high | 125 Ų | 125 | 49.6 Ų | 49.6 | 65% | 0.654 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -139.6 | 151.2 | -179.2 | -66.3 | 168.9 | 0 | 0 | 0 | 110 | Y163 E164 N167 | Y163-L169 WeakPolarHBondContact CD1-O 3.29Å; E164-L169 WeakPolarHBondContact CA-O 3.4Å; N167-L169 VanDerWaalsContact C-N 3.26Å; N167-L169 PolarHBondContact O-N 2.85Å |
| 170 | H | 86.2 | Confident | 92.3 | Very high | 90 Ų | 90 | 49.3 Ų | 49.3 | 42% | 0.417 | 27% | 0.267 | S | S | . | . | trans | -64.8 | 155.6 | 173.7 | -57.9 | -65 | 0 | 0 | 0 | 111.6 | E164 | E164-H170 IonicContact OE1-CE1 2.6Å; E164-H170 IonicContact OE2-CE1 2.71Å; E164-H170 PolarHBondContact OE2-CE1 2.88Å; E164-H170 IonicContact OE2-ND1 2.72Å; E164-H170 PolarHBondContact OE2-ND1 3.36Å; E164-H170 IonicContact OE2-NE2 3.47Å | ||
| 171 | E | 90.8 | Very high | 92.5 | Very high | 34 Ų | 34 | 49.3 Ų | 49.3 | 16% | 0.159 | 27% | 0.267 | C | S | . | . | trans | -65.4 | 137.2 | 169.8 | -154.4 | -61 | 131.4 | 0 | 0 | 109.2 | Y93 Y159 N160 Y163 C173 F174 | Y93-E171 HydrophobicContact CE1-CG 3.85Å; Y93-E171 PolarHBondContact OH-OE2 2.82Å; Y159-E171 HydrophobicContact CE1-CG 4.12Å; N160-E171 PolarHBondContact OD1-N 3.12Å; Y163-E171 HydrophobicContact CD1-CB 4.01Å; Y163-E171 HydrophobicContact CD1-CG 4.43Å; Y163-E171 HydrophobicContact CD2-CG 4.48Å; Y163-E171 HydrophobicContact CE1-CB 4.26Å; Y163-E171 HydrophobicContact CE1-CG 4.41Å; Y163-E171 HydrophobicContact CE2-CG 4.46Å; Y163-E171 HydrophobicContact CG-CB 4.28Å; Y163-E171 HydrophobicContact CG-CG 4.47Å; E171-C173 PolarHBondContact O-N 3.39Å; E171-C173 WeakPolarHBondContact OE2-CA 3.43Å; E171-C173 VanDerWaalsContact OE2-CB 3.29Å; E171-C173 WeakPolarHBondContact OE2-CB 3.5Å; E171-C173 PolarHBondContact OE2-N 3.03Å; E171-F174 HydrophobicContact CB-CB 4.21Å; E171-F174 WeakPolarHBondContact O-CB 3.48Å; E171-F174 PolarHBondContact O-N 2.88Å; E171-F174 PolarHBondContact OE2-N 3.31Å | ||
| 172 | A | 92.3 | Very high | 92.7 | Very high | 89 Ų | 89 | 51.8 Ų | 51.8 | 74% | 0.736 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -66.4 | -37 | -168 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||
| 173 | C | 94 | Very high | 92.8 | Very high | 40 Ų | 40 | 54.7 Ų | 54.7 | 27% | 0.27 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -80.8 | -20 | 178.8 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | V97 M100 E171 R176 L177 | V97-C173 HydrophobicContact CG2-CB 4.18Å; M100-C173 HydrophobicContact CE-CB 4.19Å; E171-C173 PolarHBondContact O-N 3.39Å; E171-C173 WeakPolarHBondContact OE2-CA 3.43Å; E171-C173 VanDerWaalsContact OE2-CB 3.29Å; E171-C173 WeakPolarHBondContact OE2-CB 3.5Å; E171-C173 PolarHBondContact OE2-N 3.03Å; C173-R176 PolarHBondContact O-N 3.34Å; C173-L177 WeakPolarHBondContact O-CB 3.37Å; C173-L177 PolarHBondContact O-N 3.16Å |
| 174 | F | 94.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -54.2 | -44.5 | -173.1 | -178.4 | -103.8 | 0 | 0 | 0 | 115.3 | F63 P64 M66 Y93 L156 N160 E171 R176 L177 G178 | F63-F174 HydrophobicContact CD2-CZ 4.49Å; F63-F174 AromaticContact CE2-CE2 3.99Å; F63-F174 HydrophobicContact CE2-CE2 3.99Å; F63-F174 HydrophobicContact CE2-CZ 4.02Å; P64-F174 HydrophobicContact CB-CE1 4.47Å; P64-F174 VanDerWaalsContact O-CE1 3.3Å; P64-F174 WeakPolarHBondContact O-CE1 3.45Å; M66-F174 HydrophobicContact SD-CZ 4.19Å; Y93-F174 HydrophobicContact CE2-CD2 4.18Å; Y93-F174 WeakPolarHBondContact OH-CA 3.47Å; Y93-F174 WeakPolarHBondContact OH-CB 3.48Å; Y93-F174 PolarHBondContact OH-N 2.97Å; L156-F174 HydrophobicContact CB-CE2 4.12Å; L156-F174 WeakPolarHBondContact O-CE2 3.25Å; N160-F174 HydrophobicContact CB-CB 4.36Å; N160-F174 HydrophobicContact CB-CD1 4.01Å; N160-F174 HydrophobicContact CB-CD2 3.49Å; N160-F174 VanDerWaalsContact CB-CD2 3.49Å; N160-F174 HydrophobicContact CB-CE1 4.11Å; N160-F174 HydrophobicContact CB-CE2 3.61Å; N160-F174 HydrophobicContact CB-CG 3.68Å; N160-F174 HydrophobicContact CB-CZ 3.92Å; N160-F174 WeakPolarHBondContact ND2-CD1 3.4Å; N160-F174 VanDerWaalsContact ND2-CE1 3.3Å; N160-F174 WeakPolarHBondContact ND2-CE1 3.41Å; E171-F174 HydrophobicContact CB-CB 4.21Å; E171-F174 WeakPolarHBondContact O-CB 3.48Å; E171-F174 PolarHBondContact O-N 2.88Å; E171-F174 PolarHBondContact OE2-N 3.31Å; F174-R176 VanDerWaalsContact C-N 3.34Å; F174-R176 PolarHBondContact O-N 3.39Å; F174-L177 PolarHBondContact O-N 2.98Å; F174-G178 PolarHBondContact O-N 3.5Å |
| 175 | P | 93 | Very high | 93 | Very high | 80 Ų | 80 | 55.4 Ų | 55.4 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.6 | -42.4 | -179.9 | -23.6 | 34.7 | 0 | 0 | 0 | 112.6 | Q179 | P175-Q179 PolarHBondContact O-N 3.32Å; P175-Q179 VanDerWaalsContact O-N 3.11Å |
| 176 | R | 94.8 | Very high | 93.1 | Very high | 124 Ų | 124 | 58.9 Ų | 58.9 | 47% | 0.468 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.3 | -45.8 | 179.5 | -169.9 | -173.9 | -178.3 | -145.6 | -3.9 | 111.1 | M100 D104 C173 F174 G178 Q179 M180 | M100-R176 HydrophobicContact CE-CG 4.46Å; M100-R176 HydrophobicContact SD-CB 3.94Å; M100-R176 VanDerWaalsContact SD-CD 3.56Å; M100-R176 HydrophobicContact SD-CG 3.54Å; M100-R176 VanDerWaalsContact SD-CG 3.54Å; D104-R176 IonicContact OD1-CZ 3.34Å; D104-R176 IonicContact OD1-NH2 2.77Å; D104-R176 PolarHBondContact OD1-NH2 3.21Å; D104-R176 IonicContact OD2-CZ 2.78Å; D104-R176 IonicContact OD2-NH1 2.73Å; D104-R176 PolarHBondContact OD2-NH1 2.93Å; D104-R176 IonicContact OD2-NH2 2.62Å; D104-R176 PolarHBondContact OD2-NH2 2.93Å; C173-R176 PolarHBondContact O-N 3.34Å; F174-R176 VanDerWaalsContact C-N 3.34Å; F174-R176 PolarHBondContact O-N 3.39Å; R176-G178 VanDerWaalsContact C-N 3.34Å; R176-G178 PolarHBondContact O-N 3.45Å; R176-Q179 PolarHBondContact O-N 3.49Å; R176-M180 PolarHBondContact O-N 2.82Å |
| 177 | L | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.6 | -44 | 178 | -177.2 | 63.1 | 0 | 0 | 0 | 111.2 | Y93 F96 V97 M100 L156 C173 F174 Q179 M180 I181 | Y93-L177 HydrophobicContact CE2-CD2 4.1Å; F96-L177 HydrophobicContact CB-CD1 3.95Å; F96-L177 HydrophobicContact CB-CD2 3.9Å; F96-L177 HydrophobicContact CB-CG 4.44Å; F96-L177 VanDerWaalsContact O-CD1 3.25Å; F96-L177 WeakPolarHBondContact O-CD1 3.2Å; V97-L177 HydrophobicContact CG2-CD2 4.14Å; M100-L177 HydrophobicContact CB-CD1 4.13Å; M100-L177 HydrophobicContact SD-CB 4.15Å; M100-L177 HydrophobicContact SD-CD1 4.34Å; L156-L177 HydrophobicContact CD1-CD2 4.04Å; L156-L177 HydrophobicContact CD1-CG 4.12Å; L156-L177 HydrophobicContact CD2-CD2 3.57Å; L156-L177 HydrophobicContact CG-CD2 4.41Å; C173-L177 WeakPolarHBondContact O-CB 3.37Å; C173-L177 PolarHBondContact O-N 3.16Å; F174-L177 PolarHBondContact O-N 2.98Å; L177-Q179 VanDerWaalsContact C-N 3.34Å; L177-Q179 PolarHBondContact O-N 3.28Å; L177-M180 HydrophobicContact CD1-CE 3.5Å; L177-M180 WeakPolarHBondContact O-CB 3.43Å; L177-M180 PolarHBondContact O-N 2.95Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.41Å; L177-I181 PolarHBondContact O-N 3.41Å |
| 178 | G | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -41.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | F63 F174 R176 I181 L182 | F63-G178 WeakPolarHBondContact CE1-O 2.9Å; F174-G178 PolarHBondContact O-N 3.5Å; R176-G178 VanDerWaalsContact C-N 3.34Å; R176-G178 PolarHBondContact O-N 3.45Å; G178-I181 PolarHBondContact O-N 2.97Å; G178-L182 PolarHBondContact O-N 3.02Å |
| 179 | Q | 95.6 | Very high | 93.6 | Very high | 97 Ų | 97 | 55.9 Ų | 55.9 | 45% | 0.453 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 173.9 | -173.5 | 59.2 | 48.4 | 0 | 0 | 111.8 | P175 R176 L177 I181 L182 D183 | P175-Q179 PolarHBondContact O-N 3.32Å; P175-Q179 VanDerWaalsContact O-N 3.11Å; R176-Q179 PolarHBondContact O-N 3.49Å; L177-Q179 VanDerWaalsContact C-N 3.34Å; L177-Q179 PolarHBondContact O-N 3.28Å; Q179-I181 VanDerWaalsContact C-N 3.29Å; Q179-I181 PolarHBondContact O-N 3.41Å; Q179-L182 PolarHBondContact O-N 3.24Å; Q179-L182 VanDerWaalsContact O-N 3.11Å; Q179-D183 PolarHBondContact NE2-OD1 3.05Å; Q179-D183 PolarHBondContact O-N 3.27Å |
| 180 | M | 96.5 | Very high | 93.9 | Very high | 12 Ų | 12 | 52.3 Ų | 52.3 | 6% | 0.059 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 176.7 | -177.2 | -169.5 | 76.9 | 0 | 0 | 111.9 | L99 M100 K103 L146 R176 L177 L182 D183 Y184 | L99-M180 HydrophobicContact CD2-CE 3.39Å; L99-M180 HydrophobicContact CD2-SD 3.82Å; M100-M180 HydrophobicContact CB-CE 4.07Å; M100-M180 HydrophobicContact CB-SD 3.7Å; M100-M180 HydrophobicContact CG-SD 3.83Å; K103-M180 HydrophobicContact CD-CG 4.43Å; K103-M180 HydrophobicContact CD-SD 4.09Å; L146-M180 HydrophobicContact CD2-CE 4.2Å; R176-M180 PolarHBondContact O-N 2.82Å; L177-M180 HydrophobicContact CD1-CE 3.5Å; L177-M180 WeakPolarHBondContact O-CB 3.43Å; L177-M180 PolarHBondContact O-N 2.95Å; M180-L182 VanDerWaalsContact C-N 3.27Å; M180-L182 PolarHBondContact O-N 2.82Å; M180-D183 PolarHBondContact O-N 3.35Å; M180-Y184 HydrophobicContact CG-CD2 3.86Å; M180-Y184 HydrophobicContact CG-CE2 3.93Å; M180-Y184 WeakPolarHBondContact O-CD2 3.34Å; M180-Y184 PolarHBondContact O-N 3.3Å; M180-Y184 VanDerWaalsContact O-N 3.1Å |
| 181 | I | 96.7 | Very high | 94.4 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63 | -33.9 | 178.1 | -64.9 | -71.2 | 0 | 0 | 0 | 112.2 | F63 L146 R152 K153 L156 L177 G178 Q179 | F63-I181 HydrophobicContact CE1-CB 3.9Å; F63-I181 HydrophobicContact CE1-CG2 3.81Å; F63-I181 HydrophobicContact CZ-CB 4.32Å; F63-I181 HydrophobicContact CZ-CG2 4.29Å; L146-I181 HydrophobicContact CD1-CD1 3.72Å; L146-I181 HydrophobicContact CD2-CD1 4.17Å; L146-I181 HydrophobicContact CG-CD1 4.25Å; R152-I181 HydrophobicContact CG-CG2 4.07Å; K153-I181 HydrophobicContact CG-CG2 4.06Å; L156-I181 HydrophobicContact CD1-CD1 3.94Å; L156-I181 HydrophobicContact CD1-CG1 3.65Å; L177-I181 VanDerWaalsContact O-CG1 3.29Å; L177-I181 WeakPolarHBondContact O-CG1 3.41Å; L177-I181 PolarHBondContact O-N 3.41Å; G178-I181 PolarHBondContact O-N 2.97Å; Q179-I181 VanDerWaalsContact C-N 3.29Å; Q179-I181 PolarHBondContact O-N 3.41Å |
| 182 | L | 95.7 | Very high | 94.6 | Very high | 52 Ų | 52 | 47 Ų | 47 | 27% | 0.272 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -72.5 | -42.9 | 173.3 | -67.6 | -174.4 | 0 | 0 | 0 | 111.7 | F63 P64 G178 Q179 M180 Y184 E185 | F63-L182 HydrophobicContact CD1-CD2 4.25Å; P64-L182 VanDerWaalsContact CD-CD1 3.43Å; P64-L182 HydrophobicContact CG-CD1 4.35Å; G178-L182 PolarHBondContact O-N 3.02Å; Q179-L182 PolarHBondContact O-N 3.24Å; Q179-L182 VanDerWaalsContact O-N 3.11Å; M180-L182 VanDerWaalsContact C-N 3.27Å; M180-L182 PolarHBondContact O-N 2.82Å; L182-Y184 VanDerWaalsContact C-N 3.27Å; L182-Y184 PolarHBondContact O-N 2.6Å; L182-E185 WeakPolarHBondContact O-CB 3.37Å; L182-E185 PolarHBondContact O-N 3.22Å; L182-E185 VanDerWaalsContact O-N 3.13Å |
| 183 | D | 95.2 | Very high | 94.8 | Very high | 61 Ų | 61 | 47.9 Ų | 47.9 | 33% | 0.326 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59 | -37.6 | -179.7 | -74.6 | 8.3 | 0 | 0 | 0 | 112.2 | Q179 M180 K190 | Q179-D183 PolarHBondContact NE2-OD1 3.05Å; Q179-D183 PolarHBondContact O-N 3.27Å; M180-D183 PolarHBondContact O-N 3.35Å; D183-K190 HydrophobicContact CB-CD 4.29Å; D183-K190 HydrophobicContact CB-CG 4.45Å; D183-K190 WeakPolarHBondContact O-CB 3.49Å; D183-K190 IonicContact OD2-NZ 2.75Å |
| 184 | Y | 95.5 | Very high | 94.8 | Very high | 2 Ų | 2 | 48.1 Ų | 48.1 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 20 | 178.1 | -67.6 | -80 | 0 | 0 | 0 | 114.5 | K103 Y139 M143 S147 M180 L182 Q186 P187 K190 L191 E194 | K103-Y184 HydrophobicContact CD-CE2 3.89Å; K103-Y184 WeakPolarHBondContact CE-OH 3.4Å; Y139-Y184 PolarHBondContact OH-OH 3.49Å; M143-Y184 HydrophobicContact CB-CD1 3.74Å; M143-Y184 HydrophobicContact CB-CE1 4Å; M143-Y184 HydrophobicContact CB-CG 4.43Å; M143-Y184 HydrophobicContact CG-CD1 3.81Å; M143-Y184 HydrophobicContact CG-CE1 3.62Å; M143-Y184 HydrophobicContact CG-CG 4.43Å; M143-Y184 HydrophobicContact SD-CD1 3.77Å; M143-Y184 HydrophobicContact SD-CD2 3.77Å; M143-Y184 HydrophobicContact SD-CE1 3.72Å; M143-Y184 HydrophobicContact SD-CE2 3.71Å; M143-Y184 HydrophobicContact SD-CG 3.8Å; S147-Y184 WeakPolarHBondContact CB-O 3.42Å; M180-Y184 HydrophobicContact CG-CD2 3.86Å; M180-Y184 HydrophobicContact CG-CE2 3.93Å; M180-Y184 WeakPolarHBondContact O-CD2 3.34Å; M180-Y184 PolarHBondContact O-N 3.3Å; M180-Y184 VanDerWaalsContact O-N 3.1Å; L182-Y184 VanDerWaalsContact C-N 3.27Å; L182-Y184 PolarHBondContact O-N 2.6Å; Y184-Q186 PolarHBondContact O-N 3.12Å; Y184-P187 HydrophobicContact CD1-CB 4.28Å; Y184-P187 WeakPolarHBondContact O-CD 3.43Å; Y184-K190 HydrophobicContact CD1-CB 4.18Å; Y184-K190 HydrophobicContact CD1-CG 4.02Å; Y184-K190 HydrophobicContact CE1-CB 4.17Å; Y184-K190 HydrophobicContact CE1-CG 3.67Å; Y184-K190 HydrophobicContact CE2-CG 4.46Å; Y184-L191 HydrophobicContact CE1-CD2 4.06Å; Y184-L191 HydrophobicContact CE1-CG 4.1Å; Y184-E194 PolarHBondContact OH-OE1 3Å; Y184-E194 PolarHBondContact OH-OE2 3.26Å |
| 185 | E | 93 | Very high | 95 | Very high | 96 Ų | 96 | 47.9 Ų | 47.9 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -31 | 169.6 | -169.9 | 160.9 | -132.6 | 0 | 0 | 111.5 | K153 L182 | K153-E185 IonicContact NZ-OE1 3.81Å; K153-E185 PolarHBondContact NZ-OE1 3.3Å; K153-E185 IonicContact NZ-OE2 3.49Å; L182-E185 WeakPolarHBondContact O-CB 3.37Å; L182-E185 PolarHBondContact O-N 3.22Å; L182-E185 VanDerWaalsContact O-N 3.13Å |
| 186 | Q | 92.7 | Very high | 95.1 | Very high | 130 Ų | 130 | 48.7 Ų | 48.7 | 61% | 0.607 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -120.6 | 76.6 | 172.1 | -69.9 | -91.8 | -33.7 | 0 | 0 | 108.8 | Y184 L188 K189 K190 | Y184-Q186 PolarHBondContact O-N 3.12Å; Q186-L188 PolarHBondContact O-N 3.18Å; Q186-K189 HydrophobicContact CB-CB 4.22Å; Q186-K189 PolarHBondContact O-N 3.01Å; Q186-K189 VanDerWaalsContact O-N 3.17Å; Q186-K190 PolarHBondContact O-N 3.34Å |
| 187 | P | 94.4 | Very high | 95.1 | Very high | 12 Ų | 12 | 46.8 Ų | 46.8 | 8% | 0.078 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.4 | -40.9 | -163.3 | 23.1 | -34.4 | 0 | 0 | 0 | 113.3 | M143 I144 Y184 K189 K190 L191 | M143-P187 HydrophobicContact CB-CB 4.4Å; I144-P187 HydrophobicContact CG1-CB 4.23Å; I144-P187 HydrophobicContact CG1-CG 4.05Å; Y184-P187 HydrophobicContact CD1-CB 4.28Å; Y184-P187 WeakPolarHBondContact O-CD 3.43Å; P187-K189 VanDerWaalsContact C-N 3.34Å; P187-K189 PolarHBondContact O-N 3.2Å; P187-K190 PolarHBondContact O-N 2.82Å; P187-L191 HydrophobicContact CB-CD1 4.44Å; P187-L191 VanDerWaalsContact O-CB 3.29Å; P187-L191 WeakPolarHBondContact O-CB 3.22Å; P187-L191 WeakPolarHBondContact O-CD1 3.46Å; P187-L191 WeakPolarHBondContact O-CG 3.4Å; P187-L191 PolarHBondContact O-N 3.01Å |
| 188 | L | 91.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -37.8 | -180 | -70 | 177 | 0 | 0 | 0 | 113 | I144 Q186 S192 F299 | I144-L188 HydrophobicContact CD1-CD2 4.27Å; Q186-L188 PolarHBondContact O-N 3.18Å; L188-S192 WeakPolarHBondContact O-CB 3.21Å; L188-S192 PolarHBondContact O-N 2.87Å; L188-S192 PolarHBondContact O-OG 3.22Å; L188-F299 HydrophobicContact CD1-CE2 4.22Å; L188-F299 HydrophobicContact CD1-CZ 3.9Å |
| 189 | K | 93.5 | Very high | 95.2 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 48% | 0.483 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -50.7 | 176.5 | -178.9 | -177.4 | 174.9 | -173.6 | 0 | 109.9 | Q186 P187 L191 S192 E193 F308 | Q186-K189 HydrophobicContact CB-CB 4.22Å; Q186-K189 PolarHBondContact O-N 3.01Å; Q186-K189 VanDerWaalsContact O-N 3.17Å; P187-K189 VanDerWaalsContact C-N 3.34Å; P187-K189 PolarHBondContact O-N 3.2Å; K189-L191 PolarHBondContact O-N 3.11Å; K189-S192 PolarHBondContact O-N 2.92Å; K189-S192 PolarHBondContact O-OG 2.8Å; K189-E193 WeakPolarHBondContact CE-OE1 3.42Å; K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.34Å; K189-F308 HydrophobicContact CB-CE2 4.13Å |
| 190 | K | 95.5 | Very high | 95.2 | Very high | 49 Ų | 49 | 51.8 Ų | 51.8 | 21% | 0.213 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 178.5 | -178.1 | 60 | 178.2 | -176.5 | 0 | 111.9 | D183 Y184 Q186 P187 S192 E193 E194 | D183-K190 HydrophobicContact CB-CD 4.29Å; D183-K190 HydrophobicContact CB-CG 4.45Å; D183-K190 WeakPolarHBondContact O-CB 3.49Å; D183-K190 IonicContact OD2-NZ 2.75Å; Y184-K190 HydrophobicContact CD1-CB 4.18Å; Y184-K190 HydrophobicContact CD1-CG 4.02Å; Y184-K190 HydrophobicContact CE1-CB 4.17Å; Y184-K190 HydrophobicContact CE1-CG 3.67Å; Y184-K190 HydrophobicContact CE2-CG 4.46Å; Q186-K190 PolarHBondContact O-N 3.34Å; P187-K190 PolarHBondContact O-N 2.82Å; K190-S192 PolarHBondContact O-N 2.78Å; K190-E193 PolarHBondContact O-N 2.82Å; K190-E194 HydrophobicContact CD-CG 4.43Å; K190-E194 WeakPolarHBondContact CE-OE1 3.5Å; K190-E194 IonicContact NZ-OE1 3.64Å; K190-E194 WeakPolarHBondContact O-CG 3.35Å; K190-E194 PolarHBondContact O-N 3.21Å |
| 191 | L | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -39.5 | 178 | -70.7 | 164.3 | 0 | 0 | 0 | 112.1 | Y139 V140 M143 Y184 P187 K189 E193 E194 F195 M267 | Y139-L191 HydrophobicContact CD1-CD2 4.01Å; Y139-L191 HydrophobicContact CE1-CD2 3.59Å; V140-L191 HydrophobicContact CB-CD1 4.29Å; V140-L191 HydrophobicContact CG1-CD1 4.04Å; V140-L191 HydrophobicContact CG2-CD1 4.15Å; M143-L191 HydrophobicContact CB-CD1 4.2Å; M143-L191 HydrophobicContact CG-CD2 4.4Å; Y184-L191 HydrophobicContact CE1-CD2 4.06Å; Y184-L191 HydrophobicContact CE1-CG 4.1Å; P187-L191 HydrophobicContact CB-CD1 4.44Å; P187-L191 VanDerWaalsContact O-CB 3.29Å; P187-L191 WeakPolarHBondContact O-CB 3.22Å; P187-L191 WeakPolarHBondContact O-CD1 3.46Å; P187-L191 WeakPolarHBondContact O-CG 3.4Å; P187-L191 PolarHBondContact O-N 3.01Å; K189-L191 PolarHBondContact O-N 3.11Å; L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 PolarHBondContact O-N 3.31Å; L191-E194 PolarHBondContact O-N 3.4Å; L191-F195 HydrophobicContact CD2-CE2 4.18Å; L191-F195 WeakPolarHBondContact O-CB 2.95Å; L191-F195 WeakPolarHBondContact O-CD2 3.29Å; L191-F195 PolarHBondContact O-N 3.04Å; L191-M267 HydrophobicContact CB-CG 4.17Å; L191-M267 HydrophobicContact CB-SD 4.1Å |
| 192 | S | 95 | Very high | 95.3 | Very high | 13 Ų | 13 | 51.7 Ų | 51.7 | 9% | 0.091 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -33.1 | 176 | 68.7 | 0 | 0 | 0 | 0 | 113 | L188 K189 K190 V196 | L188-S192 WeakPolarHBondContact O-CB 3.21Å; L188-S192 PolarHBondContact O-N 2.87Å; L188-S192 PolarHBondContact O-OG 3.22Å; K189-S192 PolarHBondContact O-N 2.92Å; K189-S192 PolarHBondContact O-OG 2.8Å; K190-S192 PolarHBondContact O-N 2.78Å; S192-V196 WeakPolarHBondContact O-CG2 3.28Å |
| 193 | E | 95.3 | Very high | 95.4 | Very high | 108 Ų | 108 | 50.5 Ų | 50.5 | 51% | 0.505 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -74.3 | -41.9 | 175.7 | -68.5 | 168.9 | -170.1 | 0 | 0 | 110.8 | K189 K190 L191 V196 | K189-E193 WeakPolarHBondContact CE-OE1 3.42Å; K189-E193 WeakPolarHBondContact O-CG 3.43Å; K189-E193 PolarHBondContact O-N 3.34Å; K190-E193 PolarHBondContact O-N 2.82Å; L191-E193 VanDerWaalsContact C-N 3.27Å; L191-E193 PolarHBondContact O-N 3.31Å; E193-V196 WeakPolarHBondContact O-CG2 3.29Å |
| 194 | E | 95.6 | Very high | 95.4 | Very high | 44 Ų | 44 | 49.7 Ų | 49.7 | 21% | 0.206 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -33.9 | 178.2 | -73.3 | -174.1 | 164.4 | 0 | 0 | 113.3 | Y139 Y184 K190 L191 V196 P197 H198 | Y139-E194 PolarHBondContact OH-OE2 2.97Å; Y184-E194 PolarHBondContact OH-OE1 3Å; Y184-E194 PolarHBondContact OH-OE2 3.26Å; K190-E194 HydrophobicContact CD-CG 4.43Å; K190-E194 WeakPolarHBondContact CE-OE1 3.5Å; K190-E194 IonicContact NZ-OE1 3.64Å; K190-E194 WeakPolarHBondContact O-CG 3.35Å; K190-E194 PolarHBondContact O-N 3.21Å; L191-E194 PolarHBondContact O-N 3.4Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 3.06Å; E194-P197 VanDerWaalsContact O-CD 3.28Å; E194-P197 WeakPolarHBondContact O-CD 3.42Å; E194-P197 WeakPolarHBondContact O-CG 3.32Å; E194-H198 PolarHBondContact O-CD2 3.3Å |
| 195 | F | 96.8 | Very high | 95.5 | Very high | 1 Ų | 1 | 49.6 Ų | 49.6 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -0.8 | -177.7 | -88 | -97.4 | 0 | 0 | 0 | 114.8 | L110 V136 Y139 L191 H198 S199 L202 M267 | L110-F195 HydrophobicContact CD1-CE1 4.18Å; L110-F195 HydrophobicContact CD1-CZ 3.96Å; V136-F195 HydrophobicContact CG1-CE1 3.73Å; V136-F195 HydrophobicContact CG1-CZ 3.87Å; V136-F195 HydrophobicContact CG2-CE1 4.11Å; V136-F195 HydrophobicContact CG2-CZ 4.42Å; Y139-F195 AromaticContact CD1-CE2 3.77Å; Y139-F195 HydrophobicContact CD1-CE2 3.77Å; Y139-F195 AromaticContact CD1-CZ 4Å; Y139-F195 HydrophobicContact CD1-CZ 4Å; Y139-F195 AromaticContact CE1-CE2 3.83Å; Y139-F195 HydrophobicContact CE1-CE2 3.83Å; Y139-F195 HydrophobicContact CE1-CZ 4.42Å; L191-F195 HydrophobicContact CD2-CE2 4.18Å; L191-F195 WeakPolarHBondContact O-CB 2.95Å; L191-F195 WeakPolarHBondContact O-CD2 3.29Å; L191-F195 PolarHBondContact O-N 3.04Å; F195-H198 HydrophobicContact CD1-CB 3.88Å; F195-H198 HydrophobicContact CE1-CB 4.43Å; F195-H198 CarbonylContact O-C 3.45Å; F195-H198 PolarHBondContact O-N 3.36Å; F195-H198 VanDerWaalsContact O-N 3.13Å; F195-S199 PolarHBondContact O-N 3.31Å; F195-L202 HydrophobicContact CD1-CD2 3.8Å; F195-L202 HydrophobicContact CE1-CD2 4.09Å; F195-M267 HydrophobicContact CB-CB 4.19Å; F195-M267 HydrophobicContact CD1-CE 4.15Å; F195-M267 HydrophobicContact CD1-SD 4.2Å; F195-M267 HydrophobicContact CD2-CE 4.36Å; F195-M267 HydrophobicContact CD2-SD 3.4Å; F195-M267 WeakPolarHBondContact CD2-SD 3.3Å; F195-M267 HydrophobicContact CE1-CE 4.04Å; F195-M267 HydrophobicContact CE1-SD 4.28Å; F195-M267 HydrophobicContact CE2-CE 4.23Å; F195-M267 HydrophobicContact CE2-SD 3.46Å; F195-M267 WeakPolarHBondContact CE2-SD 3Å; F195-M267 HydrophobicContact CG-CB 4.38Å; F195-M267 HydrophobicContact CG-CE 4.3Å; F195-M267 HydrophobicContact CG-SD 3.78Å; F195-M267 HydrophobicContact CZ-CE 4.07Å; F195-M267 HydrophobicContact CZ-SD 3.92Å |
| 196 | V | 96.2 | Very high | 95.7 | Very high | 97 Ų | 97 | 45 Ų | 45 | 59% | 0.588 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -53.6 | 173.5 | 176.2 | 0 | 0 | 0 | 0 | 112.5 | S192 E193 E194 H198 S199 | S192-V196 WeakPolarHBondContact O-CG2 3.28Å; E193-V196 WeakPolarHBondContact O-CG2 3.29Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-V196 PolarHBondContact O-N 3.06Å; V196-H198 VanDerWaalsContact C-N 3.29Å; V196-H198 PolarHBondContact O-N 2.93Å; V196-S199 WeakPolarHBondContact O-CB 3.5Å; V196-S199 PolarHBondContact O-N 3.25Å; V196-S199 PolarHBondContact O-OG 3.41Å |
| 197 | P | 95.5 | Very high | 95.9 | Very high | 85 Ų | 85 | 41.3 Ų | 41.3 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33.2 | 176.7 | 23.7 | -35.4 | 0 | 0 | 0 | 113.6 | E194 | E194-P197 VanDerWaalsContact O-CD 3.28Å; E194-P197 WeakPolarHBondContact O-CD 3.42Å; E194-P197 WeakPolarHBondContact O-CG 3.32Å |
| 198 | H | 96.8 | Very high | 96 | Very high | 14 Ų | 14 | 41.6 Ų | 41.6 | 7% | 0.065 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -8.1 | -175.6 | -49.5 | -46.5 | 0 | 0 | 0 | 113.7 | D114 E194 F195 V196 K200 V201 L202 | D114-H198 IonicContact OD2-CE1 3.38Å; D114-H198 PolarHBondContact OD2-CE1 2.95Å; D114-H198 IonicContact OD2-CG 3.53Å; D114-H198 IonicContact OD2-ND1 3.36Å; D114-H198 PolarHBondContact OD2-ND1 3.39Å; E194-H198 PolarHBondContact O-CD2 3.3Å; F195-H198 HydrophobicContact CD1-CB 3.88Å; F195-H198 HydrophobicContact CE1-CB 4.43Å; F195-H198 CarbonylContact O-C 3.45Å; F195-H198 PolarHBondContact O-N 3.36Å; F195-H198 VanDerWaalsContact O-N 3.13Å; V196-H198 VanDerWaalsContact C-N 3.29Å; V196-H198 PolarHBondContact O-N 2.93Å; H198-K200 PolarHBondContact O-N 3.29Å; H198-V201 PolarHBondContact O-N 3.41Å; H198-L202 PolarHBondContact O-N 3.48Å; H198-L202 VanDerWaalsContact O-N 3.09Å |
| 199 | S | 96.4 | Very high | 96.2 | Very high | 41 Ų | 41 | 41 Ų | 41 | 29% | 0.287 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59.2 | -41.3 | -167.2 | 58.6 | 0 | 0 | 0 | 0 | 114.1 | F195 V196 V201 L202 L203 | F195-S199 PolarHBondContact O-N 3.31Å; V196-S199 WeakPolarHBondContact O-CB 3.5Å; V196-S199 PolarHBondContact O-N 3.25Å; V196-S199 PolarHBondContact O-OG 3.41Å; S199-V201 PolarHBondContact O-N 2.86Å; S199-L202 PolarHBondContact O-N 2.82Å; S199-L203 VanDerWaalsContact O-CB 3.24Å; S199-L203 WeakPolarHBondContact O-CB 3.39Å; S199-L203 WeakPolarHBondContact O-CD1 3.29Å; S199-L203 WeakPolarHBondContact O-CG 3.31Å; S199-L203 PolarHBondContact O-N 3.25Å |
| 200 | K | 95.6 | Very high | 96.3 | Very high | 147 Ų | 147 | 37.1 Ų | 37.1 | 64% | 0.639 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -61.4 | -45.2 | -179 | -175.2 | -175.1 | 176.6 | -170.2 | 0 | 111.9 | H198 S204 | H198-K200 PolarHBondContact O-N 3.29Å; K200-S204 PolarHBondContact O-N 3.14Å; K200-S204 VanDerWaalsContact O-N 3.09Å |
| 201 | V | 96.3 | Very high | 96 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 6% | 0.061 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.4 | -45.8 | -178.8 | 174.2 | 0 | 0 | 0 | 0 | 110.4 | I113 D114 F120 Y132 H198 S199 L203 S204 A205 | I113-V201 HydrophobicContact CG2-CG1 3.83Å; D114-V201 WeakPolarHBondContact OD1-CG2 3.24Å; F120-V201 HydrophobicContact CD2-CG1 3.44Å; F120-V201 VanDerWaalsContact CD2-CG1 3.44Å; F120-V201 HydrophobicContact CE2-CG1 3.38Å; Y132-V201 HydrophobicContact CE1-CG1 4.38Å; Y132-V201 HydrophobicContact CE2-CG1 4.4Å; H198-V201 PolarHBondContact O-N 3.41Å; S199-V201 PolarHBondContact O-N 2.86Å; V201-L203 PolarHBondContact O-N 3.31Å; V201-S204 WeakPolarHBondContact O-CB 3.33Å; V201-S204 PolarHBondContact O-N 2.82Å; V201-A205 PolarHBondContact O-N 3.47Å; V201-A205 VanDerWaalsContact O-N 3.14Å |
| 202 | L | 97.5 | Very high | 96 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61 | -44.8 | 177 | -179.6 | 54.4 | 0 | 0 | 0 | 112.5 | Y132 M133 V136 F195 H198 S199 S204 A205 I206 M267 | Y132-L202 HydrophobicContact CE1-CD1 4.07Å; Y132-L202 PolarHBondContact OH-N 3Å; M133-L202 HydrophobicContact CE-CD1 4.01Å; M133-L202 HydrophobicContact SD-CD1 3.71Å; V136-L202 HydrophobicContact CG1-CD1 4.09Å; V136-L202 HydrophobicContact CG1-CD2 4.21Å; F195-L202 HydrophobicContact CD1-CD2 3.8Å; F195-L202 HydrophobicContact CE1-CD2 4.09Å; H198-L202 PolarHBondContact O-N 3.48Å; H198-L202 VanDerWaalsContact O-N 3.09Å; S199-L202 PolarHBondContact O-N 2.82Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 3.27Å; L202-A205 WeakPolarHBondContact O-CB 3.5Å; L202-A205 PolarHBondContact O-N 3.47Å; L202-I206 HydrophobicContact CD1-CD1 4.02Å; L202-I206 HydrophobicContact CD1-CG1 4.28Å; L202-I206 HydrophobicContact CG-CD1 3.93Å; L202-I206 WeakPolarHBondContact O-CG1 2.93Å; L202-I206 PolarHBondContact O-N 2.84Å; L202-M267 HydrophobicContact CD2-CE 3.88Å |
| 203 | L | 97.7 | Very high | 96 | Very high | 27 Ų | 27 | 37.9 Ų | 37.9 | 14% | 0.141 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.4 | -31.9 | 178.4 | -69.4 | 171 | 0 | 0 | 0 | 112.6 | S199 V201 S207 L265 C268 A271 F277 | S199-L203 VanDerWaalsContact O-CB 3.24Å; S199-L203 WeakPolarHBondContact O-CB 3.39Å; S199-L203 WeakPolarHBondContact O-CD1 3.29Å; S199-L203 WeakPolarHBondContact O-CG 3.31Å; S199-L203 PolarHBondContact O-N 3.25Å; V201-L203 PolarHBondContact O-N 3.31Å; L203-S207 VanDerWaalsContact O-CB 3.25Å; L203-S207 WeakPolarHBondContact O-CB 3.41Å; L203-S207 PolarHBondContact O-N 3.33Å; L203-L265 HydrophobicContact CD2-CD2 3.89Å; L203-C268 HydrophobicContact CD1-CB 4.38Å; L203-C268 HydrophobicContact CD2-CB 3.82Å; L203-C268 HydrophobicContact CG-CB 4.12Å; L203-A271 HydrophobicContact CD1-CB 3.57Å; L203-A271 HydrophobicContact CD2-CB 3.37Å; L203-A271 HydrophobicContact CG-CB 4.12Å; L203-F277 HydrophobicContact CB-CE1 4.27Å; L203-F277 HydrophobicContact CB-CE2 4.37Å; L203-F277 HydrophobicContact CB-CZ 3.78Å; L203-F277 HydrophobicContact CD2-CD1 4.22Å; L203-F277 HydrophobicContact CD2-CD2 4.37Å; L203-F277 HydrophobicContact CD2-CE1 3.96Å; L203-F277 HydrophobicContact CD2-CE2 4.13Å; L203-F277 HydrophobicContact CD2-CG 4.44Å; L203-F277 HydrophobicContact CD2-CZ 3.94Å; L203-F277 HydrophobicContact CG-CZ 4.37Å; L203-F277 WeakPolarHBondContact O-CE1 3.3Å; L203-F277 WeakPolarHBondContact O-CZ 3.41Å |
| 204 | S | 95.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 35.3 Ų | 35.3 | 32% | 0.315 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 170.6 | -175.5 | 0 | 0 | 0 | 0 | 111.2 | F120 K200 V201 L202 S207 S208 | F120-S204 PolarHBondContact O-OG 3.14Å; K200-S204 PolarHBondContact O-N 3.14Å; K200-S204 VanDerWaalsContact O-N 3.09Å; V201-S204 WeakPolarHBondContact O-CB 3.33Å; V201-S204 PolarHBondContact O-N 2.82Å; L202-S204 VanDerWaalsContact C-N 3.33Å; L202-S204 PolarHBondContact O-N 3.27Å; S204-S207 PolarHBondContact O-N 2.85Å; S204-S208 PolarHBondContact O-N 3.19Å; S204-S208 VanDerWaalsContact O-N 3.16Å |
| 205 | A | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.1 | -48.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | F120 T129 Y132 M133 V201 L202 S207 S208 | F120-A205 HydrophobicContact CB-CB 3.66Å; F120-A205 HydrophobicContact CG-CB 4.38Å; T129-A205 HydrophobicContact CG2-CB 4.29Å; Y132-A205 HydrophobicContact CD1-CB 4.25Å; Y132-A205 HydrophobicContact CE1-CB 4.19Å; M133-A205 HydrophobicContact CG-CB 4.22Å; M133-A205 HydrophobicContact SD-CB 3.5Å; M133-A205 VanDerWaalsContact SD-CB 3.5Å; V201-A205 PolarHBondContact O-N 3.47Å; V201-A205 VanDerWaalsContact O-N 3.14Å; L202-A205 WeakPolarHBondContact O-CB 3.5Å; L202-A205 PolarHBondContact O-N 3.47Å; A205-S207 PolarHBondContact O-N 3.27Å; A205-S208 WeakPolarHBondContact O-CB 3.39Å; A205-S208 PolarHBondContact O-N 2.89Å; A205-S208 PolarHBondContact O-OG 3.36Å |
| 206 | I | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -43.2 | 178.2 | -65.1 | 166.8 | 0 | 0 | 0 | 111.3 | M133 L202 S208 L209 L265 F277 L280 | M133-I206 HydrophobicContact CE-CG1 3.7Å; L202-I206 HydrophobicContact CD1-CD1 4.02Å; L202-I206 HydrophobicContact CD1-CG1 4.28Å; L202-I206 HydrophobicContact CG-CD1 3.93Å; L202-I206 WeakPolarHBondContact O-CG1 2.93Å; L202-I206 PolarHBondContact O-N 2.84Å; I206-S208 PolarHBondContact O-N 3.12Å; I206-L209 VanDerWaalsContact O-CB 3.32Å; I206-L209 WeakPolarHBondContact O-CB 3.32Å; I206-L209 PolarHBondContact O-N 3.15Å; I206-L265 HydrophobicContact CD1-CD2 4.11Å; I206-L265 HydrophobicContact CD1-CG 4.32Å; I206-L265 HydrophobicContact CG2-CD2 4.25Å; I206-L265 HydrophobicContact CG2-CG 4.36Å; I206-F277 HydrophobicContact CB-CE1 4.34Å; I206-F277 HydrophobicContact CG2-CD1 4.05Å; I206-F277 HydrophobicContact CG2-CE1 4.16Å; I206-L280 HydrophobicContact CG2-CD1 3.99Å |
| 207 | S | 97.1 | Very high | 95.6 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 36% | 0.357 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.2 | -32.1 | 179.2 | -173.4 | 0 | 0 | 0 | 0 | 112 | L203 S204 A205 L209 A210 | L203-S207 VanDerWaalsContact O-CB 3.25Å; L203-S207 WeakPolarHBondContact O-CB 3.41Å; L203-S207 PolarHBondContact O-N 3.33Å; S204-S207 PolarHBondContact O-N 2.85Å; A205-S207 PolarHBondContact O-N 3.27Å; S207-L209 PolarHBondContact O-N 3.14Å; S207-A210 WeakPolarHBondContact O-CB 3.35Å; S207-A210 PolarHBondContact O-N 3.05Å |
| 208 | S | 96.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 13% | 0.126 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.4 | -20.9 | 177.1 | 79.9 | 0 | 0 | 0 | 0 | 113.5 | I122 S204 A205 I206 A210 | I122-S208 VanDerWaalsContact CG2-O 3.31Å; I122-S208 WeakPolarHBondContact CG2-O 3.22Å; I122-S208 PolarHBondContact N-OG 3.44Å; S204-S208 PolarHBondContact O-N 3.19Å; S204-S208 VanDerWaalsContact O-N 3.16Å; A205-S208 WeakPolarHBondContact O-CB 3.39Å; A205-S208 PolarHBondContact O-N 2.89Å; A205-S208 PolarHBondContact O-OG 3.36Å; I206-S208 PolarHBondContact O-N 3.12Å; S208-A210 VanDerWaalsContact C-N 3.31Å; S208-A210 PolarHBondContact O-N 2.72Å |
| 209 | L | 96.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -74.7 | -17.6 | 176.5 | -64.1 | 167.8 | 0 | 0 | 0 | 112.9 | I122 I206 S207 S211 V212 Y213 M257 W260 I261 | I122-L209 HydrophobicContact CB-CD2 4.13Å; I122-L209 HydrophobicContact CG1-CD2 3.93Å; I122-L209 HydrophobicContact CG2-CD2 4.1Å; I206-L209 VanDerWaalsContact O-CB 3.32Å; I206-L209 WeakPolarHBondContact O-CB 3.32Å; I206-L209 PolarHBondContact O-N 3.15Å; S207-L209 PolarHBondContact O-N 3.14Å; L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.45Å; L209-V212 PolarHBondContact O-N 3.02Å; L209-V212 VanDerWaalsContact O-N 3.13Å; L209-Y213 WeakPolarHBondContact O-CB 3.42Å; L209-Y213 PolarHBondContact O-N 3.14Å; L209-M257 HydrophobicContact CD2-CG 4.48Å; L209-W260 HydrophobicContact CD1-CB 4.33Å; L209-W260 HydrophobicContact CD1-CE3 3.86Å; L209-W260 HydrophobicContact CD2-CE3 3.93Å; L209-W260 HydrophobicContact CD2-CZ3 3.93Å; L209-I261 HydrophobicContact CD1-CG1 4.3Å |
| 210 | A | 95 | Very high | 95.5 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 24% | 0.24 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52.4 | -45.7 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S207 S208 V214 V276 L280 | S207-A210 WeakPolarHBondContact O-CB 3.35Å; S207-A210 PolarHBondContact O-N 3.05Å; S208-A210 VanDerWaalsContact C-N 3.31Å; S208-A210 PolarHBondContact O-N 2.72Å; A210-V214 VanDerWaalsContact O-CG2 3.27Å; A210-V214 WeakPolarHBondContact O-CG2 3.48Å; A210-V214 PolarHBondContact O-N 3.46Å; A210-V276 HydrophobicContact CB-CG1 4.01Å; A210-L280 HydrophobicContact CB-CD1 4.24Å; A210-L280 HydrophobicContact CB-CG 4.5Å |
| 211 | S | 90.5 | Very high | 95.6 | Very high | 78 Ų | 78 | 31.2 Ų | 31.2 | 55% | 0.545 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -72.3 | -42.8 | 179.1 | 55.5 | 0 | 0 | 0 | 0 | 112.7 | L209 R215 | L209-S211 VanDerWaalsContact C-N 3.33Å; L209-S211 PolarHBondContact O-N 3.45Å; S211-R215 WeakPolarHBondContact O-CB 3.28Å; S211-R215 PolarHBondContact O-N 2.91Å |
| 212 | V | 94.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.7 | -52.4 | -178.8 | 177.1 | 0 | 0 | 0 | 0 | 110 | I122 L209 V214 R215 R216 C249 M257 | I122-V212 HydrophobicContact CG2-CG2 3.91Å; L209-V212 PolarHBondContact O-N 3.02Å; L209-V212 VanDerWaalsContact O-N 3.13Å; V212-V214 PolarHBondContact O-N 3.2Å; V212-R215 PolarHBondContact O-N 2.92Å; V212-R216 HydrophobicContact CG1-CG 3.96Å; V212-R216 WeakPolarHBondContact O-CB 3.41Å; V212-R216 WeakPolarHBondContact O-CG 3.16Å; V212-R216 PolarHBondContact O-N 3.12Å; V212-C249 HydrophobicContact CG1-CB 3.79Å; V212-C249 HydrophobicContact CG2-CB 4.29Å; V212-M257 HydrophobicContact CG1-SD 4.05Å |
| 213 | Y | 96.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58 | -46 | -175.8 | -175.6 | -94.2 | 0 | 0 | 0 | 112.5 | L209 R215 R216 N217 M254 M257 N258 I261 L280 R283 A284 | L209-Y213 WeakPolarHBondContact O-CB 3.42Å; L209-Y213 PolarHBondContact O-N 3.14Å; Y213-R215 PolarHBondContact O-N 3.42Å; Y213-R216 PolarHBondContact O-N 3.41Å; Y213-N217 HydrophobicContact CE1-CB 4.38Å; Y213-N217 VanDerWaalsContact O-CB 3.26Å; Y213-N217 WeakPolarHBondContact O-CB 3.17Å; Y213-N217 PolarHBondContact O-N 2.71Å; Y213-N217 PolarHBondContact OH-ND2 2.97Å; Y213-M254 HydrophobicContact CD2-CE 3.61Å; Y213-M254 HydrophobicContact CD2-SD 4.47Å; Y213-M254 HydrophobicContact CE1-CE 4.07Å; Y213-M254 HydrophobicContact CE2-CE 3.04Å; Y213-M254 HydrophobicContact CE2-SD 4.29Å; Y213-M254 HydrophobicContact CG-CE 4.34Å; Y213-M254 WeakPolarHBondContact OH-CE 3.47Å; Y213-M257 HydrophobicContact CD2-CB 3.93Å; Y213-M257 HydrophobicContact CD2-SD 4.48Å; Y213-M257 HydrophobicContact CE2-CB 4.28Å; Y213-N258 WeakPolarHBondContact CE2-OD1 3.32Å; Y213-N258 VanDerWaalsContact CZ-OD1 3.31Å; Y213-N258 PolarHBondContact OH-OD1 2.99Å; Y213-I261 HydrophobicContact CD1-CD1 4.16Å; Y213-I261 HydrophobicContact CD2-CD1 3.36Å; Y213-I261 HydrophobicContact CE1-CD1 4.24Å; Y213-I261 HydrophobicContact CE2-CD1 3.4Å; Y213-I261 VanDerWaalsContact CE2-CD1 3.4Å; Y213-I261 HydrophobicContact CG-CD1 3.74Å; Y213-L280 HydrophobicContact CD1-CD2 3.75Å; Y213-L280 HydrophobicContact CG-CD2 4.02Å; Y213-R283 HydrophobicContact CE1-CB 3.69Å; Y213-R283 PolarHBondContact OH-O 3.42Å; Y213-A284 VanDerWaalsContact OH-CA 3.31Å; Y213-A284 WeakPolarHBondContact OH-CA 3.28Å; Y213-A284 PolarHBondContact OH-N 2.87Å |
| 214 | V | 93.2 | Very high | 95.4 | Very high | 54 Ų | 54 | 38.9 Ų | 38.9 | 33% | 0.327 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.9 | -40.9 | 179 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | A210 V212 R216 N217 | A210-V214 VanDerWaalsContact O-CG2 3.27Å; A210-V214 WeakPolarHBondContact O-CG2 3.48Å; A210-V214 PolarHBondContact O-N 3.46Å; V212-V214 PolarHBondContact O-N 3.2Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.4Å; V214-N217 PolarHBondContact O-N 3.26Å |
| 215 | R | 92.4 | Very high | 95.3 | Very high | 104 Ų | 104 | 41 Ų | 41 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -66.7 | -30.9 | 176 | -175.6 | -179.2 | 70 | -153.7 | 0 | 112.6 | S211 V212 Y213 L218 T246 E250 | S211-R215 WeakPolarHBondContact O-CB 3.28Å; S211-R215 PolarHBondContact O-N 2.91Å; V212-R215 PolarHBondContact O-N 2.92Å; Y213-R215 PolarHBondContact O-N 3.42Å; R215-L218 VanDerWaalsContact O-CD1 3.32Å; R215-L218 WeakPolarHBondContact O-CD1 3.36Å; R215-L218 VanDerWaalsContact O-CG 3.27Å; R215-L218 WeakPolarHBondContact O-CG 3.23Å; R215-T246 PolarHBondContact NH2-OG1 2.89Å; R215-E250 IonicContact CZ-OE1 2.8Å; R215-E250 IonicContact CZ-OE2 2.86Å; R215-E250 IonicContact NE-OE1 2.62Å; R215-E250 IonicContact NE-OE2 3.71Å; R215-E250 IonicContact NH1-OE1 3.89Å; R215-E250 IonicContact NH2-OE1 3.11Å; R215-E250 PolarHBondContact NH2-OE1 3.29Å; R215-E250 IonicContact NH2-OE2 3.42Å; R215-E250 PolarHBondContact NH2-OE2 3.37Å |
| 216 | R | 94.1 | Very high | 95 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 3% | 0.03 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -82.7 | -31.3 | 179.8 | -63.9 | -71.5 | -69.6 | 179 | -8.8 | 112 | V212 Y213 V214 L218 C249 E250 L252 M254 M257 | V212-R216 HydrophobicContact CG1-CG 3.96Å; V212-R216 WeakPolarHBondContact O-CB 3.41Å; V212-R216 WeakPolarHBondContact O-CG 3.16Å; V212-R216 PolarHBondContact O-N 3.12Å; Y213-R216 PolarHBondContact O-N 3.41Å; V214-R216 VanDerWaalsContact C-N 3.3Å; V214-R216 PolarHBondContact O-N 3.4Å; R216-L218 VanDerWaalsContact C-N 3.26Å; R216-L218 PolarHBondContact O-N 2.63Å; R216-C249 PolarHBondContact NE-O 2.76Å; R216-E250 VanDerWaalsContact CZ-C 3.46Å; R216-E250 PolarHBondContact NH1-O 2.91Å; R216-E250 PolarHBondContact NH2-O 2.85Å; R216-L252 PolarHBondContact NH2-O 3.34Å; R216-M254 HydrophobicContact CB-SD 4.02Å; R216-M257 HydrophobicContact CB-CE 3.94Å; R216-M257 HydrophobicContact CG-CE 4.04Å |
| 217 | N | 94.8 | Very high | 94.7 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 18% | 0.176 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -88.2 | 41.5 | 179.4 | -157.9 | 0.5 | 0 | 0 | 0 | 113.8 | Y213 V214 M254 Y287 | Y213-N217 HydrophobicContact CE1-CB 4.38Å; Y213-N217 VanDerWaalsContact O-CB 3.26Å; Y213-N217 WeakPolarHBondContact O-CB 3.17Å; Y213-N217 PolarHBondContact O-N 2.71Å; Y213-N217 PolarHBondContact OH-ND2 2.97Å; V214-N217 PolarHBondContact O-N 3.26Å; N217-M254 HydrophobicContact CB-CE 3.47Å; N217-M254 VanDerWaalsContact CB-CE 3.47Å; N217-M254 HydrophobicContact CB-SD 4.38Å; N217-Y287 WeakPolarHBondContact OD1-CD2 3.18Å; N217-Y287 VanDerWaalsContact OD1-CE2 3.3Å; N217-Y287 WeakPolarHBondContact OD1-CE2 3.46Å |
| 218 | L | 95.2 | Very high | 94.4 | Very high | 52 Ų | 52 | 49.1 Ų | 49.1 | 27% | 0.272 | 28% | 0.28 | S | S | . | . | trans | -80.2 | 156.7 | 175.1 | -64 | 174.4 | 0 | 0 | 0 | 111 | R215 R216 Q222 K340 | R215-L218 VanDerWaalsContact O-CD1 3.32Å; R215-L218 WeakPolarHBondContact O-CD1 3.36Å; R215-L218 VanDerWaalsContact O-CG 3.27Å; R215-L218 WeakPolarHBondContact O-CG 3.23Å; R216-L218 VanDerWaalsContact C-N 3.26Å; R216-L218 PolarHBondContact O-N 2.63Å; L218-Q222 HydrophobicContact CB-CB 4.04Å; L218-Q222 HydrophobicContact CD2-CB 4.47Å; L218-Q222 VanDerWaalsContact CD2-OE1 3.3Å; L218-K340 WeakPolarHBondContact O-CE 3.49Å; L218-K340 PolarHBondContact O-NZ 3.39Å | ||
| 219 | T | 96.1 | Very high | 94.3 | Very high | 51 Ų | 51 | 48.5 Ų | 48.5 | 31% | 0.313 | 28% | 0.275 | S | S | . | . | trans | -78.7 | 162 | 173.1 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | D221 Q222 W223 | T219-D221 PolarHBondContact O-N 3.27Å; T219-Q222 WeakPolarHBondContact O-CB 3.46Å; T219-Q222 PolarHBondContact O-N 3.48Å; T219-Q222 VanDerWaalsContact O-N 3.09Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.46Å; T219-Q222 PolarHBondContact OG1-N 3.19Å; T219-Q222 PolarHBondContact OG1-OE1 3.1Å; T219-W223 PolarHBondContact O-N 3.12Å | ||
| 220 | A | 96.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.017 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.8 | -34 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q222 W223 R224 E339 K340 F343 | A220-Q222 VanDerWaalsContact C-N 3.33Å; A220-Q222 PolarHBondContact O-N 3.1Å; A220-W223 WeakPolarHBondContact O-CB 3.45Å; A220-W223 PolarHBondContact O-N 3.3Å; A220-R224 VanDerWaalsContact O-CG 3.31Å; A220-R224 WeakPolarHBondContact O-CG 3.5Å; A220-R224 PolarHBondContact O-N 3.09Å; A220-E339 HydrophobicContact CB-CB 3.89Å; A220-E339 WeakPolarHBondContact CB-O 3.47Å; A220-K340 HydrophobicContact CB-CG 4.36Å; A220-F343 HydrophobicContact CB-CB 4.17Å |
| 221 | D | 96.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 176.4 | -69.6 | -26.5 | 0 | 0 | 0 | 112.3 | T219 R224 A225 | T219-D221 PolarHBondContact O-N 3.27Å; D221-R224 PolarHBondContact O-N 3.24Å; D221-R224 IonicContact OD1-CZ 3.96Å; D221-R224 IonicContact OD1-NH1 2.85Å; D221-R224 PolarHBondContact OD1-NH1 3.2Å; D221-A225 WeakPolarHBondContact O-CB 3.43Å; D221-A225 PolarHBondContact O-N 3.37Å |
| 222 | Q | 96.9 | Very high | 93.8 | Very high | 96 Ų | 96 | 49.9 Ų | 49.9 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.9 | -38 | 174 | -68.5 | 171.6 | -41.8 | 0 | 0 | 111.3 | L218 T219 A220 A225 G226 | L218-Q222 HydrophobicContact CB-CB 4.04Å; L218-Q222 HydrophobicContact CD2-CB 4.47Å; L218-Q222 VanDerWaalsContact CD2-OE1 3.3Å; T219-Q222 WeakPolarHBondContact O-CB 3.46Å; T219-Q222 PolarHBondContact O-N 3.48Å; T219-Q222 VanDerWaalsContact O-N 3.09Å; T219-Q222 WeakPolarHBondContact OG1-CG 3.46Å; T219-Q222 PolarHBondContact OG1-N 3.19Å; T219-Q222 PolarHBondContact OG1-OE1 3.1Å; A220-Q222 VanDerWaalsContact C-N 3.33Å; A220-Q222 PolarHBondContact O-N 3.1Å; Q222-A225 PolarHBondContact O-N 3.48Å; Q222-G226 PolarHBondContact O-N 3.1Å |
| 223 | W | 95.7 | Very high | 93.3 | Very high | 6 Ų | 6 | 51.4 Ų | 51.4 | 2% | 0.023 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 172 | -66.1 | -15.6 | 0 | 0 | 0 | 112.4 | T219 A220 G226 Q227 M228 K340 F343 L344 F375 | T219-W223 PolarHBondContact O-N 3.12Å; A220-W223 WeakPolarHBondContact O-CB 3.45Å; A220-W223 PolarHBondContact O-N 3.3Å; W223-G226 PolarHBondContact O-N 3.42Å; W223-Q227 PolarHBondContact O-N 2.92Å; W223-M228 HydrophobicContact CB-CB 4.17Å; W223-M228 HydrophobicContact CB-SD 4.43Å; W223-M228 HydrophobicContact CD2-SD 4.44Å; W223-M228 HydrophobicContact CG-SD 3.91Å; W223-M228 WeakPolarHBondContact O-CB 3.18Å; W223-M228 PolarHBondContact O-N 2.98Å; W223-K340 HydrophobicContact CE3-CG 4.32Å; W223-K340 HydrophobicContact CH2-CB 4.25Å; W223-K340 HydrophobicContact CH2-CD 3.77Å; W223-K340 HydrophobicContact CH2-CG 3.85Å; W223-K340 HydrophobicContact CZ2-CD 4.38Å; W223-K340 HydrophobicContact CZ3-CB 3.85Å; W223-K340 HydrophobicContact CZ3-CD 4.12Å; W223-K340 HydrophobicContact CZ3-CG 3.65Å; W223-F343 HydrophobicContact CB-CD1 4.33Å; W223-F343 HydrophobicContact CB-CD2 4.41Å; W223-F343 HydrophobicContact CB-CE1 3.87Å; W223-F343 HydrophobicContact CB-CE2 3.96Å; W223-F343 HydrophobicContact CB-CZ 3.66Å; W223-F343 HydrophobicContact CD2-CD1 4.32Å; W223-F343 HydrophobicContact CD2-CE1 4.28Å; W223-F343 AromaticContact CE3-CD1 3.41Å; W223-F343 HydrophobicContact CE3-CD1 3.41Å; W223-F343 VanDerWaalsContact CE3-CD1 3.41Å; W223-F343 AromaticContact CE3-CE1 3.76Å; W223-F343 HydrophobicContact CE3-CE1 3.76Å; W223-F343 HydrophobicContact CE3-CG 4.06Å; W223-F343 HydrophobicContact CG-CE1 4.39Å; W223-F343 HydrophobicContact CZ3-CD1 4.04Å; W223-L344 HydrophobicContact CZ3-CD1 4.25Å; W223-L344 HydrophobicContact CZ3-CD2 4.24Å; W223-L344 HydrophobicContact CZ3-CG 4.08Å; W223-F375 HydrophobicContact CH2-CD2 4.07Å; W223-F375 HydrophobicContact CH2-CE2 4.44Å; W223-F375 HydrophobicContact CH2-CG 4.42Å; W223-F375 HydrophobicContact CZ2-CD2 4.07Å; W223-F375 AromaticContact CZ2-CE2 3.98Å; W223-F375 HydrophobicContact CZ2-CE2 3.98Å; W223-F375 HydrophobicContact CZ2-CZ 4.37Å |
| 224 | R | 94.5 | Very high | 92.6 | Very high | 96 Ų | 96 | 52.9 Ų | 52.9 | 36% | 0.362 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.7 | -49.3 | 175.4 | -69.6 | 170.5 | -171.3 | 129.8 | -1.4 | 111.6 | A220 D221 G226 Q227 E339 F343 | A220-R224 VanDerWaalsContact O-CG 3.31Å; A220-R224 WeakPolarHBondContact O-CG 3.5Å; A220-R224 PolarHBondContact O-N 3.09Å; D221-R224 PolarHBondContact O-N 3.24Å; D221-R224 IonicContact OD1-CZ 3.96Å; D221-R224 IonicContact OD1-NH1 2.85Å; D221-R224 PolarHBondContact OD1-NH1 3.2Å; R224-G226 PolarHBondContact O-N 2.86Å; R224-Q227 PolarHBondContact O-N 3.41Å; R224-Q227 VanDerWaalsContact O-N 3.1Å; R224-E339 IonicContact CZ-OE2 3.89Å; R224-E339 IonicContact NH1-OE2 2.66Å; R224-E339 PolarHBondContact NH1-OE2 3.08Å; R224-E339 IonicContact NH2-OE2 3.38Å; R224-E339 PolarHBondContact NH2-OE2 3.15Å; R224-F343 HydrophobicContact CB-CE2 4.48Å; R224-F343 HydrophobicContact CG-CD2 3.52Å; R224-F343 HydrophobicContact CG-CE2 3.72Å |
| 225 | A | 94 | Very high | 91.9 | Very high | 89 Ų | 89 | 55 Ų | 55 | 74% | 0.736 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.6 | -33.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | D221 Q222 Q227 | D221-A225 WeakPolarHBondContact O-CB 3.43Å; D221-A225 PolarHBondContact O-N 3.37Å; Q222-A225 PolarHBondContact O-N 3.48Å; A225-Q227 VanDerWaalsContact C-N 3.34Å |
| 226 | G | 91.7 | Very high | 91.3 | Very high | 58 Ų | 58 | 55.8 Ų | 55.8 | 60% | 0.598 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | 3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q222 W223 R224 M228 | Q222-G226 PolarHBondContact O-N 3.1Å; W223-G226 PolarHBondContact O-N 3.42Å; R224-G226 PolarHBondContact O-N 2.86Å; G226-M228 PolarHBondContact O-N 3.36Å |
| 227 | Q | 90.8 | Very high | 90.7 | Very high | 121 Ų | 121 | 60.6 Ų | 60.6 | 57% | 0.565 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 44.9 | -173.6 | -62.8 | -171.5 | -23.6 | 0 | 0 | 112.7 | W223 R224 A225 T230 | W223-Q227 PolarHBondContact O-N 2.92Å; R224-Q227 PolarHBondContact O-N 3.41Å; R224-Q227 VanDerWaalsContact O-N 3.1Å; A225-Q227 VanDerWaalsContact C-N 3.34Å; Q227-T230 HydrophobicContact CB-CG2 3.95Å; Q227-T230 VanDerWaalsContact O-CG2 3.25Å; Q227-T230 WeakPolarHBondContact O-CG2 3.49Å |
| 228 | M | 91.7 | Very high | 90 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 22% | 0.217 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 148.3 | -178.1 | -157.3 | -179.7 | 179.7 | 0 | 0 | 111.4 | W223 G226 T230 F343 M371 F375 | W223-M228 HydrophobicContact CB-CB 4.17Å; W223-M228 HydrophobicContact CB-SD 4.43Å; W223-M228 HydrophobicContact CD2-SD 4.44Å; W223-M228 HydrophobicContact CG-SD 3.91Å; W223-M228 WeakPolarHBondContact O-CB 3.18Å; W223-M228 PolarHBondContact O-N 2.98Å; G226-M228 PolarHBondContact O-N 3.36Å; M228-T230 PolarHBondContact O-N 3.46Å; M228-F343 HydrophobicContact CB-CZ 4.3Å; M228-F343 WeakPolarHBondContact O-CZ 3.45Å; M228-M371 HydrophobicContact CE-CE 3.34Å; M228-F375 HydrophobicContact CE-CE2 3.29Å; M228-F375 HydrophobicContact CE-CZ 3.6Å; M228-F375 HydrophobicContact SD-CE2 3.95Å |
| 229 | L | 93.8 | Very high | 89.1 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 2% | 0.021 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 7.2 | 174.6 | -54.3 | -174 | 0 | 0 | 0 | 116.8 | F343 L344 A347 L368 M371 A372 F375 | L229-F343 HydrophobicContact CD1-CE1 4.18Å; L229-L344 HydrophobicContact CD1-CD2 3.8Å; L229-A347 HydrophobicContact CB-CB 3.92Å; L229-A347 HydrophobicContact CD1-CB 4.27Å; L229-L368 HydrophobicContact CD2-CD1 3.75Å; L229-L368 HydrophobicContact CD2-CG 4.24Å; L229-M371 HydrophobicContact CD2-CB 3.87Å; L229-M371 HydrophobicContact CD2-CE 4.36Å; L229-A372 HydrophobicContact CD1-CB 3.9Å; L229-A372 HydrophobicContact CD2-CB 4.2Å; L229-F375 HydrophobicContact CD1-CD2 4.05Å |
| 230 | T | 92.6 | Very high | 88.4 | Confident | 37 Ų | 37 | 68.7 Ų | 68.7 | 23% | 0.227 | 39% | 0.393 | C | S | . | . | trans | -95.4 | 142.6 | 176.3 | 176.5 | 0 | 0 | 0 | 0 | 111.9 | Q227 M228 V232 G233 E350 | Q227-T230 HydrophobicContact CB-CG2 3.95Å; Q227-T230 VanDerWaalsContact O-CG2 3.25Å; Q227-T230 WeakPolarHBondContact O-CG2 3.49Å; M228-T230 PolarHBondContact O-N 3.46Å; T230-V232 WeakPolarHBondContact OG1-CG2 3.47Å; T230-V232 PolarHBondContact OG1-N 3.26Å; T230-V232 VanDerWaalsContact OG1-N 3.09Å; T230-G233 PolarHBondContact OG1-N 3.09Å; T230-G233 VanDerWaalsContact OG1-N 3.12Å; T230-E350 WeakPolarHBondContact CA-OE1 3.45Å; T230-E350 VanDerWaalsContact CB-OE1 3.29Å; T230-E350 WeakPolarHBondContact CB-OE1 3.39Å; T230-E350 PolarHBondContact OG1-OE1 2.84Å; T230-E350 PolarHBondContact OG1-OE2 3.44Å | ||
| 231 | L | 90.1 | Very high | 87.7 | Confident | 10 Ų | 10 | 70.5 Ų | 70.5 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -96.7 | -19 | 168.3 | -66.9 | 175 | 0 | 0 | 0 | 111.8 | V238 E350 L351 I354 L355 K365 L368 | L231-V238 WeakPolarHBondContact O-CG2 3.29Å; L231-E350 PolarHBondContact N-OE1 3.18Å; L231-L351 HydrophobicContact CD1-CD2 3.77Å; L231-L351 HydrophobicContact CG-CD2 3.75Å; L231-I354 HydrophobicContact CB-CD1 3.91Å; L231-I354 HydrophobicContact CD1-CB 4.25Å; L231-I354 HydrophobicContact CD1-CD1 4.42Å; L231-I354 HydrophobicContact CD1-CG2 3.88Å; L231-L355 HydrophobicContact CD1-CD2 4.2Å; L231-L355 HydrophobicContact CD1-CG 4.26Å; L231-K365 HydrophobicContact CD2-CB 4.46Å; L231-K365 HydrophobicContact CD2-CD 3.85Å; L231-K365 HydrophobicContact CD2-CG 3.85Å; L231-L368 HydrophobicContact CD2-CD2 3.65Å; L231-L368 HydrophobicContact CG-CD2 4.14Å |
| 232 | V | 88.9 | Confident | 86.9 | Confident | 90 Ų | 90 | 68.3 Ų | 68.3 | 55% | 0.545 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -91.9 | -15.2 | -178.8 | -55.2 | 0 | 0 | 0 | 0 | 114 | T230 A234 E350 I354 | T230-V232 WeakPolarHBondContact OG1-CG2 3.47Å; T230-V232 PolarHBondContact OG1-N 3.26Å; T230-V232 VanDerWaalsContact OG1-N 3.09Å; V232-A234 VanDerWaalsContact C-N 3.26Å; V232-A234 PolarHBondContact O-N 3.43Å; V232-E350 WeakPolarHBondContact CG2-OE2 3.36Å; V232-E350 PolarHBondContact N-OE1 2.95Å; V232-I354 HydrophobicContact CG1-CD1 3.65Å |
| 233 | G | 83.4 | Confident | 86.2 | Confident | 32 Ų | 32 | 71.2 Ų | 71.2 | 33% | 0.33 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -35.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T230 | T230-G233 PolarHBondContact OG1-N 3.09Å; T230-G233 VanDerWaalsContact OG1-N 3.12Å |
| 234 | A | 82.3 | Confident | 86 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 26% | 0.256 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.5 | 87 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | V232 N236 Q237 | V232-A234 VanDerWaalsContact C-N 3.26Å; V232-A234 PolarHBondContact O-N 3.43Å; A234-N236 PolarHBondContact O-N 3.2Å; A234-N236 VanDerWaalsContact O-N 3.1Å; A234-Q237 HydrophobicContact CB-CB 4.26Å; A234-Q237 HydrophobicContact CB-CG 4.12Å; A234-Q237 PolarHBondContact O-N 3.48Å |
| 235 | S | 77.3 | Confident | 85.8 | Confident | 100 Ų | 100 | 73.7 Ų | 73.7 | 70% | 0.699 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -57.6 | -28.1 | -174.6 | 58 | 0 | 0 | 0 | 0 | 114.2 | Q237 V238 | S235-Q237 PolarHBondContact O-N 3.3Å; S235-V238 WeakPolarHBondContact O-CG2 3.35Å |
| 236 | N | 81.4 | Confident | 85.8 | Confident | 119 Ų | 119 | 70 Ų | 70 | 64% | 0.636 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -71.3 | -10.6 | 174.7 | 65.5 | -32 | 0 | 0 | 0 | 114.1 | A234 Y240 | A234-N236 PolarHBondContact O-N 3.2Å; A234-N236 VanDerWaalsContact O-N 3.1Å; N236-Y240 WeakPolarHBondContact O-CE2 3.48Å |
| 237 | Q | 80.4 | Confident | 85.9 | Confident | 109 Ų | 109 | 67.7 Ų | 67.7 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -110.1 | 3.1 | -178.9 | -58.4 | -176.8 | -2.1 | 0 | 0 | 114.2 | A234 S235 V239 Y240 K365 | A234-Q237 HydrophobicContact CB-CB 4.26Å; A234-Q237 HydrophobicContact CB-CG 4.12Å; A234-Q237 PolarHBondContact O-N 3.48Å; S235-Q237 PolarHBondContact O-N 3.3Å; Q237-V239 PolarHBondContact O-N 2.89Å; Q237-V239 VanDerWaalsContact O-N 3.16Å; Q237-Y240 HydrophobicContact CB-CD2 3.88Å; Q237-Y240 HydrophobicContact CG-CD2 3.96Å; Q237-Y240 HydrophobicContact CG-CE2 4.29Å; Q237-Y240 PolarHBondContact O-N 3.04Å; Q237-Y240 VanDerWaalsContact O-N 3.12Å; Q237-K365 PolarHBondContact O-NZ 3.01Å |
| 238 | V | 79.6 | Confident | 86 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 19% | 0.188 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -29.9 | -177.8 | 175.8 | 0 | 0 | 0 | 0 | 112.3 | L231 S235 L361 K365 | L231-V238 WeakPolarHBondContact O-CG2 3.29Å; S235-V238 WeakPolarHBondContact O-CG2 3.35Å; V238-L361 HydrophobicContact CG1-CD1 3.87Å; V238-L361 HydrophobicContact CG1-CD2 4.19Å; V238-K365 WeakPolarHBondContact O-CE 3.46Å |
| 239 | V | 76.3 | Confident | 86.2 | Confident | 119 Ų | 119 | 60.2 Ų | 60.2 | 72% | 0.721 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -17.4 | -178.4 | -168.2 | 0 | 0 | 0 | 0 | 112.5 | Q237 | Q237-V239 PolarHBondContact O-N 2.89Å; Q237-V239 VanDerWaalsContact O-N 3.16Å |
| 240 | Y | 82.5 | Confident | 86.3 | Confident | 157 Ų | 157 | 61 Ų | 61 | 62% | 0.616 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -72.2 | 143.5 | -178 | -65.5 | -51.5 | 0 | 0 | 0 | 112.1 | N236 Q237 K365 | N236-Y240 WeakPolarHBondContact O-CE2 3.48Å; Q237-Y240 HydrophobicContact CB-CD2 3.88Å; Q237-Y240 HydrophobicContact CG-CD2 3.96Å; Q237-Y240 HydrophobicContact CG-CE2 4.29Å; Q237-Y240 PolarHBondContact O-N 3.04Å; Q237-Y240 VanDerWaalsContact O-N 3.12Å; Y240-K365 WeakPolarHBondContact O-CE 3.42Å; Y240-K365 PolarHBondContact O-NZ 3.08Å |
| 241 | V | 81 | Confident | 86.5 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 24% | 0.242 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -69 | 134 | 173.1 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | Q243 P364 Y433 Y437 | V241-Q243 PolarHBondContact O-N 3.27Å; V241-P364 HydrophobicContact CG2-CB 4.32Å; V241-Y433 WeakPolarHBondContact CG2-OH 3.49Å; V241-Y437 HydrophobicContact CG2-CE2 4.13Å |
| 242 | N | 80.7 | Confident | 86.8 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 24% | 0.241 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 117 | 174 | -69.6 | 2.9 | 0 | 0 | 0 | 109.2 | K365 L367 L368 | N242-K365 PolarHBondContact OD1-NZ 2.79Å; N242-L367 HydrophobicContact CB-CB 4.46Å; N242-L367 HydrophobicContact CB-CD2 4.26Å; N242-L368 WeakPolarHBondContact ND2-CB 3.33Å |
| 243 | Q | 82.2 | Confident | 87.2 | Confident | 158 Ų | 158 | 55.9 Ų | 55.9 | 74% | 0.738 | 31% | 0.308 | S | S | * | . | P | Polyproline II helix | trans | -101.8 | 142.4 | 179.9 | -65.5 | -177.7 | -13.7 | 0 | 0 | 110.8 | V241 | V241-Q243 PolarHBondContact O-N 3.27Š|
| 244 | S | 90.5 | Very high | 87.8 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | trans | -146 | 142.6 | 168.4 | 171.1 | 0 | 0 | 0 | 0 | 108.7 | T246 I247 E250 | S244-T246 PolarHBondContact O-N 3.3Å; S244-T246 PolarHBondContact OG-N 3.1Å; S244-T246 PolarHBondContact OG-OG1 2.93Å; S244-I247 WeakPolarHBondContact O-CG1 3.37Å; S244-E250 PolarHBondContact OG-OE1 3.02Å | ||
| 245 | D | 90.3 | Very high | 88.4 | Confident | 128 Ų | 128 | 53.9 Ų | 53.9 | 68% | 0.684 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12 | 172.1 | -67.4 | -37.8 | 0 | 0 | 0 | 112.4 | ||
| 246 | T | 93.5 | Very high | 89.3 | Confident | 13 Ų | 13 | 50.6 Ų | 50.6 | 8% | 0.08 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -134 | 47 | -176.8 | 56.4 | 0 | 0 | 0 | 0 | 111.4 | R215 S244 P248 C249 E250 | R215-T246 PolarHBondContact NH2-OG1 2.89Å; S244-T246 PolarHBondContact O-N 3.3Å; S244-T246 PolarHBondContact OG-N 3.1Å; S244-T246 PolarHBondContact OG-OG1 2.93Å; T246-P248 VanDerWaalsContact C-CD 3.48Å; T246-P248 VanDerWaalsContact C-N 3.35Å; T246-P248 VanDerWaalsContact O-N 3.17Å; T246-C249 WeakPolarHBondContact O-CA 3.41Å; T246-C249 VanDerWaalsContact O-CB 3.25Å; T246-C249 WeakPolarHBondContact O-CB 3.14Å; T246-C249 PolarHBondContact O-N 3.12Å; T246-E250 PolarHBondContact O-N 3.29Å; T246-E250 PolarHBondContact OG1-OE1 2.99Å; T246-E250 VanDerWaalsContact OG1-OE1 3.11Å |
| 247 | I | 95 | Very high | 90.1 | Very high | 9 Ų | 9 | 44.9 Ų | 44.9 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -43 | -50.3 | -176.5 | -74 | 170.9 | 0 | 0 | 0 | 113.9 | S244 C249 E250 Y251 L367 T523 F526 | S244-I247 WeakPolarHBondContact O-CG1 3.37Å; I247-C249 PolarHBondContact O-N 3.19Å; I247-E250 WeakPolarHBondContact O-CB 3.49Å; I247-E250 PolarHBondContact O-N 3.03Å; I247-Y251 HydrophobicContact CG2-CE1 4.31Å; I247-Y251 WeakPolarHBondContact O-CE1 3.29Å; I247-L367 HydrophobicContact CG1-CD2 4.09Å; I247-L367 HydrophobicContact CG2-CD1 3.93Å; I247-L367 HydrophobicContact CG2-CD2 4.47Å; I247-T523 HydrophobicContact CD1-CG2 3.81Å; I247-F526 HydrophobicContact CG2-CB 3.87Å; I247-F526 HydrophobicContact CG2-CD1 3.69Å; I247-F526 HydrophobicContact CG2-CD2 3.61Å; I247-F526 HydrophobicContact CG2-CE1 4.07Å; I247-F526 HydrophobicContact CG2-CE2 3.97Å; I247-F526 HydrophobicContact CG2-CG 3.43Å; I247-F526 VanDerWaalsContact CG2-CG 3.43Å; I247-F526 HydrophobicContact CG2-CZ 4.18Å |
| 248 | P | 93.1 | Very high | 90.9 | Very high | 6 Ų | 6 | 39.7 Ų | 39.7 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -62.9 | -25.7 | -179.1 | -22.2 | 34.3 | 0 | 0 | 0 | 114 | T246 E250 N522 | T246-P248 VanDerWaalsContact C-CD 3.48Å; T246-P248 VanDerWaalsContact C-N 3.35Å; T246-P248 VanDerWaalsContact O-N 3.17Å; P248-E250 VanDerWaalsContact C-N 3.31Å; P248-N522 HydrophobicContact CG-CB 4.28Å |
| 249 | C | 96.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -76.6 | -19.3 | 176.5 | -58 | 0 | 0 | 0 | 0 | 112.4 | V212 R216 T246 I247 Y251 | V212-C249 HydrophobicContact CG1-CB 3.79Å; V212-C249 HydrophobicContact CG2-CB 4.29Å; R216-C249 PolarHBondContact NE-O 2.76Å; T246-C249 WeakPolarHBondContact O-CA 3.41Å; T246-C249 VanDerWaalsContact O-CB 3.25Å; T246-C249 WeakPolarHBondContact O-CB 3.14Å; T246-C249 PolarHBondContact O-N 3.12Å; I247-C249 PolarHBondContact O-N 3.19Å; C249-Y251 VanDerWaalsContact C-N 3.29Å; C249-Y251 PolarHBondContact O-N 3.24Å |
| 250 | E | 95.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 34.1 Ų | 34.1 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -78.2 | -9.3 | -179.4 | -50.4 | -53 | 162.3 | 0 | 0 | 113.4 | R215 R216 S244 T246 I247 P248 L367 M371 | R215-E250 IonicContact CZ-OE1 2.8Å; R215-E250 IonicContact CZ-OE2 2.86Å; R215-E250 IonicContact NE-OE1 2.62Å; R215-E250 IonicContact NE-OE2 3.71Å; R215-E250 IonicContact NH1-OE1 3.89Å; R215-E250 IonicContact NH2-OE1 3.11Å; R215-E250 PolarHBondContact NH2-OE1 3.29Å; R215-E250 IonicContact NH2-OE2 3.42Å; R215-E250 PolarHBondContact NH2-OE2 3.37Å; R216-E250 VanDerWaalsContact CZ-C 3.46Å; R216-E250 PolarHBondContact NH1-O 2.91Å; R216-E250 PolarHBondContact NH2-O 2.85Å; S244-E250 PolarHBondContact OG-OE1 3.02Å; T246-E250 PolarHBondContact O-N 3.29Å; T246-E250 PolarHBondContact OG1-OE1 2.99Å; T246-E250 VanDerWaalsContact OG1-OE1 3.11Å; I247-E250 WeakPolarHBondContact O-CB 3.49Å; I247-E250 PolarHBondContact O-N 3.03Å; P248-E250 VanDerWaalsContact C-N 3.31Å; E250-L367 HydrophobicContact CB-CD1 4.08Å; E250-M371 HydrophobicContact CB-CG 4.03Å; E250-M371 HydrophobicContact CB-SD 4.17Å; E250-M371 WeakPolarHBondContact O-CG 3.44Å |
| 251 | Y | 96 | Very high | 93.5 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -128.1 | 15.6 | 170 | 59.3 | -91 | 0 | 0 | 0 | 111.4 | I247 C249 S253 L367 L370 S374 F526 T541 | I247-Y251 HydrophobicContact CG2-CE1 4.31Å; I247-Y251 WeakPolarHBondContact O-CE1 3.29Å; C249-Y251 VanDerWaalsContact C-N 3.29Å; C249-Y251 PolarHBondContact O-N 3.24Å; Y251-S253 PolarHBondContact O-N 3.21Å; Y251-L367 HydrophobicContact CD1-CD1 3.97Å; Y251-L367 HydrophobicContact CE1-CD1 4.45Å; Y251-L370 HydrophobicContact CG-CB 4.27Å; Y251-S374 PolarHBondContact O-OG 2.97Å; Y251-S374 VanDerWaalsContact O-OG 3.06Å; Y251-F526 HydrophobicContact CD1-CE2 4.44Å; Y251-F526 AromaticContact CE1-CD2 3.82Å; Y251-F526 HydrophobicContact CE1-CD2 3.82Å; Y251-F526 AromaticContact CE1-CE2 3.72Å; Y251-F526 HydrophobicContact CE1-CE2 3.72Å; Y251-T541 HydrophobicContact CD2-CG2 3.85Å; Y251-T541 HydrophobicContact CG-CG2 4.32Å |
| 252 | L | 97 | Very high | 94.2 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 3% | 0.026 | 13% | 0.129 | C | C | . | . | trans | -68.9 | 127.3 | 172.2 | -178.8 | 61.6 | 0 | 0 | 0 | 109.5 | R216 T256 M257 W260 | R216-L252 PolarHBondContact NH2-O 3.34Å; L252-T256 HydrophobicContact CD1-CG2 4.43Å; L252-M257 HydrophobicContact CD2-CG 3.63Å; L252-M257 HydrophobicContact CD2-SD 3.7Å; L252-M257 HydrophobicContact CG-CE 4.44Å; L252-M257 HydrophobicContact CG-CG 3.95Å; L252-M257 HydrophobicContact CG-SD 4.17Å; L252-W260 HydrophobicContact CD1-CH2 3.83Å; L252-W260 HydrophobicContact CD1-CZ3 4.44Å; L252-W260 HydrophobicContact CD2-CH2 3.9Å; L252-W260 HydrophobicContact CD2-CZ3 3.72Å; L252-W260 HydrophobicContact CG-CH2 4.44Å | ||
| 253 | S | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 22.6 Ų | 22.6 | 11% | 0.112 | 12% | 0.117 | C | C | . | . | trans | -61.2 | 133.9 | -178.4 | 162.7 | 0 | 0 | 0 | 0 | 111.8 | Y251 D255 T256 M257 D378 | Y251-S253 PolarHBondContact O-N 3.21Å; S253-D255 PolarHBondContact OG-N 2.96Å; S253-T256 WeakPolarHBondContact O-CB 3.49Å; S253-T256 PolarHBondContact O-N 3.47Å; S253-T256 PolarHBondContact OG-N 3.39Å; S253-M257 PolarHBondContact O-N 3.45Å; S253-D378 WeakPolarHBondContact CA-OD2 3.42Å; S253-D378 WeakPolarHBondContact CB-OD1 3.26Å; S253-D378 PolarHBondContact OG-OD1 2.82Å | ||
| 254 | M | 95.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 4% | 0.044 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -65.6 | -39.7 | 176.4 | -161.8 | 65.4 | -159.9 | 0 | 0 | 111.5 | Y213 R216 N217 T256 M257 N258 Y287 D378 | Y213-M254 HydrophobicContact CD2-CE 3.61Å; Y213-M254 HydrophobicContact CD2-SD 4.47Å; Y213-M254 HydrophobicContact CE1-CE 4.07Å; Y213-M254 HydrophobicContact CE2-CE 3.04Å; Y213-M254 HydrophobicContact CE2-SD 4.29Å; Y213-M254 HydrophobicContact CG-CE 4.34Å; Y213-M254 WeakPolarHBondContact OH-CE 3.47Å; R216-M254 HydrophobicContact CB-SD 4.02Å; N217-M254 HydrophobicContact CB-CE 3.47Å; N217-M254 VanDerWaalsContact CB-CE 3.47Å; N217-M254 HydrophobicContact CB-SD 4.38Å; M254-T256 VanDerWaalsContact C-N 3.27Å; M254-T256 PolarHBondContact O-N 2.63Å; M254-M257 PolarHBondContact O-N 3.33Å; M254-M257 HydrophobicContact SD-CE 3.72Å; M254-N258 WeakPolarHBondContact O-CB 3.34Å; M254-N258 VanDerWaalsContact O-CG 3.31Å; M254-N258 PolarHBondContact O-N 3.45Å; M254-Y287 HydrophobicContact CE-CE2 4.44Å; M254-Y287 HydrophobicContact CG-CE1 4.13Å; M254-Y287 HydrophobicContact CG-CE2 4.1Å; M254-Y287 WeakPolarHBondContact CG-OH 3.47Å; M254-D378 HydrophobicContact CB-CB 4.41Å; M254-D378 WeakPolarHBondContact CB-OD2 3.47Å; M254-D378 PolarHBondContact N-OD1 3.39Å; M254-D378 PolarHBondContact N-OD2 3.25Å |
| 255 | D | 94.9 | Very high | 96 | Very high | 13 Ų | 13 | 14 Ų | 14 | 7% | 0.07 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -57.5 | -41.9 | 174.2 | -177 | 84.7 | 0 | 0 | 0 | 111.4 | S253 N258 R259 T292 R385 | S253-D255 PolarHBondContact OG-N 2.96Å; D255-N258 PolarHBondContact O-N 2.94Å; D255-R259 VanDerWaalsContact O-CG 3.31Å; D255-R259 WeakPolarHBondContact O-CG 3.33Å; D255-R259 PolarHBondContact O-N 3.03Å; D255-R259 WeakPolarHBondContact OD2-CD 3.09Å; D255-T292 PolarHBondContact OD1-OG1 3.45Å; D255-R385 IonicContact OD1-CZ 4Å; D255-R385 IonicContact OD1-NE 3.93Å; D255-R385 IonicContact OD1-NH1 3.99Å; D255-R385 PolarHBondContact OD1-NH1 2.86Å; D255-R385 VanDerWaalsContact OD1-NH1 3.08Å; D255-R385 IonicContact OD1-NH2 2.89Å; D255-R385 PolarHBondContact OD1-NH2 2.85Å |
| 256 | T | 96.8 | Very high | 96.2 | Very high | 30 Ų | 30 | 8 Ų | 8 | 18% | 0.184 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 179.1 | -63.3 | 0 | 0 | 0 | 0 | 111.7 | L252 S253 M254 N258 R259 W260 | L252-T256 HydrophobicContact CD1-CG2 4.43Å; S253-T256 WeakPolarHBondContact O-CB 3.49Å; S253-T256 PolarHBondContact O-N 3.47Å; S253-T256 PolarHBondContact OG-N 3.39Å; M254-T256 VanDerWaalsContact C-N 3.27Å; M254-T256 PolarHBondContact O-N 2.63Å; T256-N258 VanDerWaalsContact C-N 3.35Å; T256-N258 PolarHBondContact O-N 3.49Å; T256-R259 WeakPolarHBondContact O-CB 3.42Å; T256-R259 PolarHBondContact O-N 2.86Å; T256-W260 HydrophobicContact CG2-CD2 4.17Å; T256-W260 VanDerWaalsContact CG2-CE2 3.41Å; T256-W260 HydrophobicContact CG2-CH2 3.96Å; T256-W260 HydrophobicContact CG2-CZ2 3.31Å; T256-W260 VanDerWaalsContact O-CG 3.24Å; T256-W260 PolarHBondContact O-N 3.45Å; T256-W260 VanDerWaalsContact O-N 3.07Å |
| 257 | M | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -64.8 | -37.8 | 176.7 | -68 | -175.5 | -74.1 | 0 | 0 | 112.4 | L209 V212 Y213 R216 L252 S253 M254 W260 I261 | L209-M257 HydrophobicContact CD2-CG 4.48Å; V212-M257 HydrophobicContact CG1-SD 4.05Å; Y213-M257 HydrophobicContact CD2-CB 3.93Å; Y213-M257 HydrophobicContact CD2-SD 4.48Å; Y213-M257 HydrophobicContact CE2-CB 4.28Å; R216-M257 HydrophobicContact CB-CE 3.94Å; R216-M257 HydrophobicContact CG-CE 4.04Å; L252-M257 HydrophobicContact CD2-CG 3.63Å; L252-M257 HydrophobicContact CD2-SD 3.7Å; L252-M257 HydrophobicContact CG-CE 4.44Å; L252-M257 HydrophobicContact CG-CG 3.95Å; L252-M257 HydrophobicContact CG-SD 4.17Å; S253-M257 PolarHBondContact O-N 3.45Å; M254-M257 PolarHBondContact O-N 3.33Å; M254-M257 HydrophobicContact SD-CE 3.72Å; M257-W260 HydrophobicContact CG-CE3 4.14Å; M257-W260 HydrophobicContact CG-CZ3 4.11Å; M257-W260 WeakPolarHBondContact O-CB 3.47Å; M257-W260 PolarHBondContact O-N 3Å; M257-I261 WeakPolarHBondContact O-CG1 3.39Å; M257-I261 PolarHBondContact O-N 3.32Å |
| 258 | N | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 174.1 | -77.1 | -10.1 | 0 | 0 | 0 | 111.4 | Y213 M254 D255 T256 W260 I261 V262 Y287 D288 | Y213-N258 WeakPolarHBondContact CE2-OD1 3.32Å; Y213-N258 VanDerWaalsContact CZ-OD1 3.31Å; Y213-N258 PolarHBondContact OH-OD1 2.99Å; M254-N258 WeakPolarHBondContact O-CB 3.34Å; M254-N258 VanDerWaalsContact O-CG 3.31Å; M254-N258 PolarHBondContact O-N 3.45Å; D255-N258 PolarHBondContact O-N 2.94Å; T256-N258 VanDerWaalsContact C-N 3.35Å; T256-N258 PolarHBondContact O-N 3.49Å; N258-W260 VanDerWaalsContact C-N 3.31Å; N258-W260 PolarHBondContact O-N 3.33Å; N258-I261 PolarHBondContact O-N 3.42Å; N258-V262 WeakPolarHBondContact O-CB 3.49Å; N258-V262 WeakPolarHBondContact O-CG2 3.47Å; N258-V262 PolarHBondContact O-N 3.44Å; N258-Y287 WeakPolarHBondContact ND2-CD1 3.39Å; N258-Y287 WeakPolarHBondContact ND2-CE1 3.23Å; N258-D288 PolarHBondContact ND2-OD2 3.11Å |
| 259 | R | 97.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 8.9 Ų | 8.9 | 13% | 0.125 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -57.3 | -44.8 | 176.6 | -75.3 | 174.6 | 69.7 | -106.6 | -7.8 | 111.8 | S141 D255 T256 F263 V291 T292 | S141-R259 PolarHBondContact OG-NH2 3.03Å; S141-R259 VanDerWaalsContact OG-NH2 3.16Å; D255-R259 VanDerWaalsContact O-CG 3.31Å; D255-R259 WeakPolarHBondContact O-CG 3.33Å; D255-R259 PolarHBondContact O-N 3.03Å; D255-R259 WeakPolarHBondContact OD2-CD 3.09Å; T256-R259 WeakPolarHBondContact O-CB 3.42Å; T256-R259 PolarHBondContact O-N 2.86Å; R259-F263 HydrophobicContact CB-CD2 4.43Å; R259-F263 HydrophobicContact CB-CE2 4.49Å; R259-F263 WeakPolarHBondContact O-CB 3.29Å; R259-F263 WeakPolarHBondContact O-CD2 3.42Å; R259-F263 PolarHBondContact O-N 3.37Å; R259-V291 HydrophobicContact CB-CG1 4.32Å; R259-V291 HydrophobicContact CG-CG1 3.31Å; R259-T292 WeakPolarHBondContact CD-O 3.45Å; R259-T292 PolarHBondContact NE-O 3.48Å |
| 260 | W | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.9 Ų | 10.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.2 | -46.6 | 176.3 | -67.7 | -6.8 | 0 | 0 | 0 | 112.7 | I122 Q130 M133 N134 T137 L209 L252 T256 M257 N258 G264 | I122-W260 HydrophobicContact CD1-CZ3 4.27Å; Q130-W260 HydrophobicContact CB-CH2 4.18Å; Q130-W260 HydrophobicContact CB-CZ2 4.37Å; Q130-W260 HydrophobicContact CG-CH2 3.83Å; Q130-W260 HydrophobicContact CG-CZ2 4.49Å; M133-W260 HydrophobicContact CB-CD2 3.62Å; M133-W260 HydrophobicContact CB-CE3 4.21Å; M133-W260 HydrophobicContact CB-CG 3.82Å; M133-W260 HydrophobicContact CB-CZ2 4.1Å; M133-W260 HydrophobicContact CE-CB 3.56Å; M133-W260 HydrophobicContact CE-CD2 4.49Å; M133-W260 HydrophobicContact CE-CG 3.96Å; M133-W260 HydrophobicContact CG-CD2 4.29Å; M133-W260 HydrophobicContact CG-CE3 4.47Å; N134-W260 VanDerWaalsContact OD1-CZ2 3.28Å; N134-W260 WeakPolarHBondContact OD1-CZ2 3.26Å; N134-W260 PolarHBondContact OD1-NE1 3.06Å; T137-W260 HydrophobicContact CG2-CG 4.41Å; L209-W260 HydrophobicContact CD1-CB 4.33Å; L209-W260 HydrophobicContact CD1-CE3 3.86Å; L209-W260 HydrophobicContact CD2-CE3 3.93Å; L209-W260 HydrophobicContact CD2-CZ3 3.93Å; L252-W260 HydrophobicContact CD1-CH2 3.83Å; L252-W260 HydrophobicContact CD1-CZ3 4.44Å; L252-W260 HydrophobicContact CD2-CH2 3.9Å; L252-W260 HydrophobicContact CD2-CZ3 3.72Å; L252-W260 HydrophobicContact CG-CH2 4.44Å; T256-W260 HydrophobicContact CG2-CD2 4.17Å; T256-W260 VanDerWaalsContact CG2-CE2 3.41Å; T256-W260 HydrophobicContact CG2-CH2 3.96Å; T256-W260 HydrophobicContact CG2-CZ2 3.31Å; T256-W260 VanDerWaalsContact O-CG 3.24Å; T256-W260 PolarHBondContact O-N 3.45Å; T256-W260 VanDerWaalsContact O-N 3.07Å; M257-W260 HydrophobicContact CG-CE3 4.14Å; M257-W260 HydrophobicContact CG-CZ3 4.11Å; M257-W260 WeakPolarHBondContact O-CB 3.47Å; M257-W260 PolarHBondContact O-N 3Å; N258-W260 VanDerWaalsContact C-N 3.31Å; N258-W260 PolarHBondContact O-N 3.33Å; W260-G264 WeakPolarHBondContact O-CA 3.45Å; W260-G264 PolarHBondContact O-N 3.1Å |
| 261 | I | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.2 | -49.9 | -179.7 | -66.9 | 162.8 | 0 | 0 | 0 | 110.8 | L209 Y213 M257 N258 L265 L280 A284 | L209-I261 HydrophobicContact CD1-CG1 4.3Å; Y213-I261 HydrophobicContact CD1-CD1 4.16Å; Y213-I261 HydrophobicContact CD2-CD1 3.36Å; Y213-I261 HydrophobicContact CE1-CD1 4.24Å; Y213-I261 HydrophobicContact CE2-CD1 3.4Å; Y213-I261 VanDerWaalsContact CE2-CD1 3.4Å; Y213-I261 HydrophobicContact CG-CD1 3.74Å; M257-I261 WeakPolarHBondContact O-CG1 3.39Å; M257-I261 PolarHBondContact O-N 3.32Å; N258-I261 PolarHBondContact O-N 3.42Å; I261-L265 HydrophobicContact CG2-CD1 3.88Å; I261-L265 VanDerWaalsContact O-CB 3.3Å; I261-L265 WeakPolarHBondContact O-CB 3.26Å; I261-L265 WeakPolarHBondContact O-CG 3.45Å; I261-L265 PolarHBondContact O-N 2.85Å; I261-L280 HydrophobicContact CD1-CD2 4.02Å; I261-L280 HydrophobicContact CG2-CB 4.19Å; I261-A284 HydrophobicContact CB-CB 4.13Å; I261-A284 HydrophobicContact CG2-CB 3.68Å |
| 262 | V | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -63.1 | -52.2 | -175.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | N258 A266 A284 L285 V291 F299 P301 | N258-V262 WeakPolarHBondContact O-CB 3.49Å; N258-V262 WeakPolarHBondContact O-CG2 3.47Å; N258-V262 PolarHBondContact O-N 3.44Å; V262-A266 WeakPolarHBondContact O-CB 3.44Å; V262-A266 PolarHBondContact O-N 3.22Å; V262-A284 HydrophobicContact CG2-CB 3.97Å; V262-L285 HydrophobicContact CG2-CD2 4.33Å; V262-V291 HydrophobicContact CG1-CG2 4.44Å; V262-V291 HydrophobicContact CG2-CG2 4.29Å; V262-F299 HydrophobicContact CG1-CE1 4.37Å; V262-P301 HydrophobicContact CG1-CB 3.78Å |
| 263 | F | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -71.7 | -41.2 | -179.9 | -67.1 | -39.5 | 0 | 0 | 0 | 112.2 | T137 V140 I144 R259 L265 A266 M267 V291 L293 F299 | T137-F263 HydrophobicContact CG2-CB 4.08Å; T137-F263 HydrophobicContact CG2-CD2 4.03Å; V140-F263 HydrophobicContact CB-CB 4.43Å; V140-F263 HydrophobicContact CB-CG 4.37Å; V140-F263 HydrophobicContact CG1-CB 4.1Å; V140-F263 HydrophobicContact CG1-CD1 3.73Å; V140-F263 HydrophobicContact CG1-CD2 4.32Å; V140-F263 HydrophobicContact CG1-CE1 4.22Å; V140-F263 HydrophobicContact CG1-CG 3.8Å; V140-F263 HydrophobicContact CG2-CB 4.46Å; I144-F263 HydrophobicContact CD1-CE1 4.02Å; R259-F263 HydrophobicContact CB-CD2 4.43Å; R259-F263 HydrophobicContact CB-CE2 4.49Å; R259-F263 WeakPolarHBondContact O-CB 3.29Å; R259-F263 WeakPolarHBondContact O-CD2 3.42Å; R259-F263 PolarHBondContact O-N 3.37Å; F263-L265 PolarHBondContact O-N 2.75Å; F263-A266 PolarHBondContact O-N 3.15Å; F263-M267 WeakPolarHBondContact O-CE 3.28Å; F263-M267 WeakPolarHBondContact O-CG 3.5Å; F263-M267 PolarHBondContact O-N 2.96Å; F263-M267 VanDerWaalsContact O-N 3.12Å; F263-V291 HydrophobicContact CZ-CG1 4.39Å; F263-L293 HydrophobicContact CE1-CD2 4.35Å; F263-L293 HydrophobicContact CE2-CD2 4.49Å; F263-L293 HydrophobicContact CZ-CD2 3.67Å; F263-F299 HydrophobicContact CD1-CE1 4.45Å; F263-F299 HydrophobicContact CE1-CB 4.39Å; F263-F299 AromaticContact CE1-CD1 3.62Å; F263-F299 HydrophobicContact CE1-CD1 3.62Å; F263-F299 AromaticContact CE1-CE1 3.92Å; F263-F299 HydrophobicContact CE1-CE1 3.92Å; F263-F299 AromaticContact CE1-CG 3.96Å; F263-F299 HydrophobicContact CE1-CG 3.96Å; F263-F299 HydrophobicContact CZ-CB 4.36Å; F263-F299 HydrophobicContact CZ-CD1 4.31Å; F263-F299 HydrophobicContact CZ-CG 4.41Å |
| 264 | G | 97 | Very high | 95.7 | Very high | 1 Ų | 1 | 18.1 Ų | 18.1 | 1% | 0.01 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | W260 M267 C268 | W260-G264 WeakPolarHBondContact O-CA 3.45Å; W260-G264 PolarHBondContact O-N 3.1Å; G264-M267 PolarHBondContact O-N 3.42Å; G264-C268 WeakPolarHBondContact O-CB 3.29Å; G264-C268 PolarHBondContact O-N 3.31Å |
| 265 | L | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -79.9 | -20.4 | 178.9 | -62.9 | 179.1 | 0 | 0 | 0 | 113.5 | L203 I206 I261 F263 C268 H269 L272 F277 W281 | L203-L265 HydrophobicContact CD2-CD2 3.89Å; I206-L265 HydrophobicContact CD1-CD2 4.11Å; I206-L265 HydrophobicContact CD1-CG 4.32Å; I206-L265 HydrophobicContact CG2-CD2 4.25Å; I206-L265 HydrophobicContact CG2-CG 4.36Å; I261-L265 HydrophobicContact CG2-CD1 3.88Å; I261-L265 VanDerWaalsContact O-CB 3.3Å; I261-L265 WeakPolarHBondContact O-CB 3.26Å; I261-L265 WeakPolarHBondContact O-CG 3.45Å; I261-L265 PolarHBondContact O-N 2.85Å; F263-L265 PolarHBondContact O-N 2.75Å; L265-C268 CarbonylContact O-C 3.6Å; L265-H269 WeakPolarHBondContact O-CA 3.45Å; L265-H269 PolarHBondContact O-N 3Å; L265-H269 VanDerWaalsContact O-N 3.08Å; L265-L272 HydrophobicContact CB-CD2 4.21Å; L265-L272 HydrophobicContact CD1-CD2 4.26Å; L265-F277 HydrophobicContact CD1-CB 4.27Å; L265-F277 WeakPolarHBondContact CD1-O 3.35Å; L265-F277 HydrophobicContact CD2-CB 3.96Å; L265-F277 HydrophobicContact CD2-CD1 3.92Å; L265-F277 HydrophobicContact CD2-CG 4.1Å; L265-W281 HydrophobicContact CD1-CB 3.68Å; L265-W281 HydrophobicContact CD1-CG 4.19Å |
| 266 | A | 94.3 | Very high | 95.8 | Very high | 2 Ų | 2 | 25.3 Ų | 25.3 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | V262 F263 H269 | V262-A266 WeakPolarHBondContact O-CB 3.44Å; V262-A266 PolarHBondContact O-N 3.22Å; F263-A266 PolarHBondContact O-N 3.15Å; A266-H269 PolarHBondContact O-CD2 3.38Å |
| 267 | M | 94.8 | Very high | 95.8 | Very high | 5 Ų | 5 | 24.2 Ų | 24.2 | 3% | 0.025 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -75.8 | -39.6 | 176 | -63.3 | -178.2 | -66 | 0 | 0 | 112.4 | V136 V140 L191 F195 L202 F263 G264 H269 | V136-M267 HydrophobicContact CG1-CE 3.59Å; V140-M267 HydrophobicContact CG2-CE 3.57Å; V140-M267 HydrophobicContact CG2-CG 4.38Å; V140-M267 HydrophobicContact CG2-SD 3.25Å; V140-M267 WeakPolarHBondContact CG2-SD 3.38Å; L191-M267 HydrophobicContact CB-CG 4.17Å; L191-M267 HydrophobicContact CB-SD 4.1Å; F195-M267 HydrophobicContact CB-CB 4.19Å; F195-M267 HydrophobicContact CD1-CE 4.15Å; F195-M267 HydrophobicContact CD1-SD 4.2Å; F195-M267 HydrophobicContact CD2-CE 4.36Å; F195-M267 HydrophobicContact CD2-SD 3.4Å; F195-M267 WeakPolarHBondContact CD2-SD 3.3Å; F195-M267 HydrophobicContact CE1-CE 4.04Å; F195-M267 HydrophobicContact CE1-SD 4.28Å; F195-M267 HydrophobicContact CE2-CE 4.23Å; F195-M267 HydrophobicContact CE2-SD 3.46Å; F195-M267 WeakPolarHBondContact CE2-SD 3Å; F195-M267 HydrophobicContact CG-CB 4.38Å; F195-M267 HydrophobicContact CG-CE 4.3Å; F195-M267 HydrophobicContact CG-SD 3.78Å; F195-M267 HydrophobicContact CZ-CE 4.07Å; F195-M267 HydrophobicContact CZ-SD 3.92Å; L202-M267 HydrophobicContact CD2-CE 3.88Å; F263-M267 WeakPolarHBondContact O-CE 3.28Å; F263-M267 WeakPolarHBondContact O-CG 3.5Å; F263-M267 PolarHBondContact O-N 2.96Å; F263-M267 VanDerWaalsContact O-N 3.12Å; G264-M267 PolarHBondContact O-N 3.42Å; M267-H269 PolarHBondContact O-N 3.03Å |
| 268 | C | 95.6 | Very high | 95.7 | Very high | 10 Ų | 10 | 25.6 Ų | 25.6 | 7% | 0.068 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 41.4 | 178.5 | -64.1 | 0 | 0 | 0 | 0 | 112.6 | L203 G264 L265 G270 A271 | L203-C268 HydrophobicContact CD1-CB 4.38Å; L203-C268 HydrophobicContact CD2-CB 3.82Å; L203-C268 HydrophobicContact CG-CB 4.12Å; G264-C268 WeakPolarHBondContact O-CB 3.29Å; G264-C268 PolarHBondContact O-N 3.31Å; L265-C268 CarbonylContact O-C 3.6Å; C268-G270 PolarHBondContact O-N 2.86Å; C268-A271 VanDerWaalsContact O-CB 3.25Å; C268-A271 WeakPolarHBondContact O-CB 3.17Å; C268-A271 PolarHBondContact O-N 2.82Å |
| 269 | H | 94.4 | Very high | 95.6 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 15% | 0.148 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -58.7 | -23.1 | -171.3 | 60 | 83.7 | 0 | 0 | 0 | 115 | L265 A266 M267 A271 L272 F308 F309 Y315 | L265-H269 WeakPolarHBondContact O-CA 3.45Å; L265-H269 PolarHBondContact O-N 3Å; L265-H269 VanDerWaalsContact O-N 3.08Å; A266-H269 PolarHBondContact O-CD2 3.38Å; M267-H269 PolarHBondContact O-N 3.03Å; H269-A271 PolarHBondContact O-N 3.47Å; H269-L272 HydrophobicContact CB-CD1 4.28Å; H269-L272 VanDerWaalsContact O-CB 3.31Å; H269-L272 WeakPolarHBondContact O-CB 3.43Å; H269-L272 WeakPolarHBondContact O-CD1 3.39Å; H269-L272 VanDerWaalsContact O-CG 3.26Å; H269-L272 WeakPolarHBondContact O-CG 3.4Å; H269-L272 PolarHBondContact O-N 2.67Å; H269-F308 AromaticContact CD2-CE1 3.78Å; H269-F308 AromaticContact CD2-CZ 3.97Å; H269-F308 AromaticContact NE2-CZ 3.98Å; H269-F309 HydrophobicContact CB-CE1 3.71Å; H269-F309 HydrophobicContact CB-CZ 3.72Å; H269-Y315 HydrophobicContact CB-CE1 4.37Å; H269-Y315 AromaticContact ND1-CE1 3.59Å; H269-Y315 AromaticContact ND1-CZ 3.41Å; H269-Y315 PolarHBondContact ND1-OH 3.37Å |
| 270 | G | 92.5 | Very high | 95.6 | Very high | 44 Ų | 44 | 27 Ų | 27 | 45% | 0.454 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -61.4 | -25.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | C268 L272 S273 | C268-G270 PolarHBondContact O-N 2.86Å; G270-L272 PolarHBondContact O-N 2.95Å; G270-S273 PolarHBondContact O-OG 3Å |
| 271 | A | 95.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 27 Ų | 27 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -71.6 | -16.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L203 C268 H269 S273 Q274 F277 | L203-A271 HydrophobicContact CD1-CB 3.57Å; L203-A271 HydrophobicContact CD2-CB 3.37Å; L203-A271 HydrophobicContact CG-CB 4.12Å; C268-A271 VanDerWaalsContact O-CB 3.25Å; C268-A271 WeakPolarHBondContact O-CB 3.17Å; C268-A271 PolarHBondContact O-N 2.82Å; H269-A271 PolarHBondContact O-N 3.47Å; A271-S273 PolarHBondContact O-N 2.91Å; A271-Q274 PolarHBondContact O-N 2.92Å; A271-F277 HydrophobicContact CB-CD2 3.72Å; A271-F277 HydrophobicContact CB-CE2 4.19Å; A271-F277 HydrophobicContact CB-CG 4.24Å; A271-F277 WeakPolarHBondContact O-CD2 3.49Å |
| 272 | L | 93.7 | Very high | 95.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -60.5 | -11.6 | 176.7 | -63.3 | 173.8 | 0 | 0 | 0 | 113 | L265 H269 G270 W281 F309 R318 | L265-L272 HydrophobicContact CB-CD2 4.21Å; L265-L272 HydrophobicContact CD1-CD2 4.26Å; H269-L272 HydrophobicContact CB-CD1 4.28Å; H269-L272 VanDerWaalsContact O-CB 3.31Å; H269-L272 WeakPolarHBondContact O-CB 3.43Å; H269-L272 WeakPolarHBondContact O-CD1 3.39Å; H269-L272 VanDerWaalsContact O-CG 3.26Å; H269-L272 WeakPolarHBondContact O-CG 3.4Å; H269-L272 PolarHBondContact O-N 2.67Å; G270-L272 PolarHBondContact O-N 2.95Å; L272-W281 HydrophobicContact CD1-CD2 4.1Å; L272-W281 HydrophobicContact CD1-CE3 3.74Å; L272-W281 HydrophobicContact CD1-CH2 3.79Å; L272-W281 HydrophobicContact CD1-CZ2 4.16Å; L272-W281 HydrophobicContact CD1-CZ3 3.58Å; L272-W281 HydrophobicContact CD2-CB 3.84Å; L272-W281 HydrophobicContact CD2-CD2 3.55Å; L272-W281 HydrophobicContact CD2-CE3 3.47Å; L272-W281 VanDerWaalsContact CD2-CE3 3.47Å; L272-W281 HydrophobicContact CD2-CG 3.75Å; L272-W281 HydrophobicContact CD2-CZ3 4.2Å; L272-W281 HydrophobicContact CG-CD2 4.48Å; L272-W281 HydrophobicContact CG-CE3 4.18Å; L272-W281 HydrophobicContact CG-CZ3 4.45Å; L272-F309 HydrophobicContact CD1-CE2 4.28Å; L272-F309 HydrophobicContact CD1-CZ 4.04Å; L272-R318 PolarHBondContact O-NH2 3.01Å |
| 273 | S | 91.7 | Very high | 95.4 | Very high | 93 Ų | 93 | 34.1 Ų | 34.1 | 65% | 0.65 | 20% | 0.199 | S | C | * | . | G | 310 helix | trans | -66 | -24.4 | 169 | 54.3 | 0 | 0 | 0 | 0 | 113.3 | G270 A271 | G270-S273 PolarHBondContact O-OG 3Å; A271-S273 PolarHBondContact O-N 2.91Å |
| 274 | Q | 95.4 | Very high | 95.4 | Very high | 101 Ų | 101 | 34.1 Ų | 34.1 | 47% | 0.472 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -87.8 | 138.8 | 179.5 | -50.7 | -175.6 | 12.1 | 0 | 0 | 111 | A271 V276 F277 C278 | A271-Q274 PolarHBondContact O-N 2.92Å; Q274-V276 PolarHBondContact O-N 3.08Å; Q274-F277 HydrophobicContact CB-CD2 3.84Å; Q274-F277 HydrophobicContact CB-CE2 4.41Å; Q274-F277 HydrophobicContact CG-CD2 4.25Å; Q274-F277 PolarHBondContact O-N 3.44Å; Q274-F277 VanDerWaalsContact OE1-CE2 3.22Å; Q274-C278 PolarHBondContact O-N 2.86Å; Q274-C278 VanDerWaalsContact O-N 3.07Å |
| 275 | P | 95.4 | Very high | 95.4 | Very high | 107 Ų | 107 | 34.1 Ų | 34.1 | 70% | 0.695 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -56.6 | -44.3 | -175.2 | -28.1 | 35.3 | 0 | 0 | 0 | 114.5 | F277 C278 D279 | P275-F277 VanDerWaalsContact C-N 3.35Å; P275-F277 PolarHBondContact O-N 3.37Å; P275-C278 PolarHBondContact O-N 3.2Å; P275-D279 WeakPolarHBondContact O-CB 3.22Å; P275-D279 PolarHBondContact O-N 3.15Å |
| 276 | V | 95.7 | Very high | 95.4 | Very high | 65 Ų | 65 | 36.2 Ų | 36.2 | 39% | 0.394 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -59.9 | -43.9 | -176.9 | 178.2 | 0 | 0 | 0 | 0 | 111.8 | A210 Q274 L280 | A210-V276 HydrophobicContact CB-CG1 4.01Å; Q274-V276 PolarHBondContact O-N 3.08Å; V276-L280 PolarHBondContact O-N 3.04Å; V276-L280 VanDerWaalsContact O-N 3.08Å |
| 277 | F | 97.1 | Very high | 95.4 | Very high | 8 Ų | 8 | 37 Ų | 37 | 4% | 0.035 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -73.7 | -38 | 179.1 | -60.3 | -54.8 | 0 | 0 | 0 | 111.9 | L203 I206 L265 A271 Q274 P275 D279 W281 | L203-F277 HydrophobicContact CB-CE1 4.27Å; L203-F277 HydrophobicContact CB-CE2 4.37Å; L203-F277 HydrophobicContact CB-CZ 3.78Å; L203-F277 HydrophobicContact CD2-CD1 4.22Å; L203-F277 HydrophobicContact CD2-CD2 4.37Å; L203-F277 HydrophobicContact CD2-CE1 3.96Å; L203-F277 HydrophobicContact CD2-CE2 4.13Å; L203-F277 HydrophobicContact CD2-CG 4.44Å; L203-F277 HydrophobicContact CD2-CZ 3.94Å; L203-F277 HydrophobicContact CG-CZ 4.37Å; L203-F277 WeakPolarHBondContact O-CE1 3.3Å; L203-F277 WeakPolarHBondContact O-CZ 3.41Å; I206-F277 HydrophobicContact CB-CE1 4.34Å; I206-F277 HydrophobicContact CG2-CD1 4.05Å; I206-F277 HydrophobicContact CG2-CE1 4.16Å; L265-F277 HydrophobicContact CD1-CB 4.27Å; L265-F277 WeakPolarHBondContact CD1-O 3.35Å; L265-F277 HydrophobicContact CD2-CB 3.96Å; L265-F277 HydrophobicContact CD2-CD1 3.92Å; L265-F277 HydrophobicContact CD2-CG 4.1Å; A271-F277 HydrophobicContact CB-CD2 3.72Å; A271-F277 HydrophobicContact CB-CE2 4.19Å; A271-F277 HydrophobicContact CB-CG 4.24Å; A271-F277 WeakPolarHBondContact O-CD2 3.49Å; Q274-F277 HydrophobicContact CB-CD2 3.84Å; Q274-F277 HydrophobicContact CB-CE2 4.41Å; Q274-F277 HydrophobicContact CG-CD2 4.25Å; Q274-F277 PolarHBondContact O-N 3.44Å; Q274-F277 VanDerWaalsContact OE1-CE2 3.22Å; P275-F277 VanDerWaalsContact C-N 3.35Å; P275-F277 PolarHBondContact O-N 3.37Å; F277-D279 VanDerWaalsContact C-N 3.3Å; F277-D279 PolarHBondContact O-N 2.84Å; F277-W281 WeakPolarHBondContact O-CB 3.2Å; F277-W281 PolarHBondContact O-N 3.37Å |
| 278 | C | 95.4 | Very high | 95.3 | Very high | 28 Ų | 28 | 36.8 Ų | 36.8 | 19% | 0.189 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.2 | -41.4 | 175.5 | -165.8 | 0 | 0 | 0 | 0 | 111.5 | Q274 P275 W281 Q282 | Q274-C278 PolarHBondContact O-N 2.86Å; Q274-C278 VanDerWaalsContact O-N 3.07Å; P275-C278 PolarHBondContact O-N 3.2Å; C278-W281 PolarHBondContact O-N 3.31Å; C278-Q282 WeakPolarHBondContact O-CB 3.37Å; C278-Q282 PolarHBondContact O-N 3.43Å |
| 279 | D | 96.5 | Very high | 95.2 | Very high | 63 Ų | 63 | 36.5 Ų | 36.5 | 34% | 0.337 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -70.7 | -42.2 | -178.9 | -179.7 | 60.8 | 0 | 0 | 0 | 112.8 | P275 F277 R283 | P275-D279 WeakPolarHBondContact O-CB 3.22Å; P275-D279 PolarHBondContact O-N 3.15Å; F277-D279 VanDerWaalsContact C-N 3.3Å; F277-D279 PolarHBondContact O-N 2.84Å; D279-R283 PolarHBondContact O-N 2.78Å; D279-R283 IonicContact OD1-CZ 3.29Å; D279-R283 IonicContact OD1-NH1 2.82Å; D279-R283 PolarHBondContact OD1-NH1 3.43Å; D279-R283 IonicContact OD1-NH2 3.32Å; D279-R283 PolarHBondContact OD1-NH2 3.4Å; D279-R283 IonicContact OD2-CZ 3.12Å; D279-R283 IonicContact OD2-NH1 3.08Å; D279-R283 PolarHBondContact OD2-NH1 2.91Å; D279-R283 IonicContact OD2-NH2 2.81Å |
| 280 | L | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.1 | -45.1 | 170.5 | -82.3 | 176.9 | 0 | 0 | 0 | 111.8 | I206 A210 Y213 I261 V276 R283 A284 | I206-L280 HydrophobicContact CG2-CD1 3.99Å; A210-L280 HydrophobicContact CB-CD1 4.24Å; A210-L280 HydrophobicContact CB-CG 4.5Å; Y213-L280 HydrophobicContact CD1-CD2 3.75Å; Y213-L280 HydrophobicContact CG-CD2 4.02Å; I261-L280 HydrophobicContact CD1-CD2 4.02Å; I261-L280 HydrophobicContact CG2-CB 4.19Å; V276-L280 PolarHBondContact O-N 3.04Å; V276-L280 VanDerWaalsContact O-N 3.08Å; L280-R283 PolarHBondContact O-N 3.5Å; L280-A284 WeakPolarHBondContact O-CB 3.38Å; L280-A284 PolarHBondContact O-N 3.19Å |
| 281 | W | 95.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.8 | -43.3 | -178.2 | -167.8 | 46.6 | 0 | 0 | 0 | 112.4 | L265 L272 F277 C278 A284 L285 I305 F309 V322 F325 | L265-W281 HydrophobicContact CD1-CB 3.68Å; L265-W281 HydrophobicContact CD1-CG 4.19Å; L272-W281 HydrophobicContact CD1-CD2 4.1Å; L272-W281 HydrophobicContact CD1-CE3 3.74Å; L272-W281 HydrophobicContact CD1-CH2 3.79Å; L272-W281 HydrophobicContact CD1-CZ2 4.16Å; L272-W281 HydrophobicContact CD1-CZ3 3.58Å; L272-W281 HydrophobicContact CD2-CB 3.84Å; L272-W281 HydrophobicContact CD2-CD2 3.55Å; L272-W281 HydrophobicContact CD2-CE3 3.47Å; L272-W281 VanDerWaalsContact CD2-CE3 3.47Å; L272-W281 HydrophobicContact CD2-CG 3.75Å; L272-W281 HydrophobicContact CD2-CZ3 4.2Å; L272-W281 HydrophobicContact CG-CD2 4.48Å; L272-W281 HydrophobicContact CG-CE3 4.18Å; L272-W281 HydrophobicContact CG-CZ3 4.45Å; F277-W281 WeakPolarHBondContact O-CB 3.2Å; F277-W281 PolarHBondContact O-N 3.37Å; C278-W281 PolarHBondContact O-N 3.31Å; W281-A284 PolarHBondContact O-N 3.4Å; W281-L285 HydrophobicContact CD2-CD1 3.9Å; W281-L285 HydrophobicContact CG-CD1 4.27Å; W281-L285 HydrophobicContact CH2-CD1 4.33Å; W281-L285 HydrophobicContact CZ2-CD1 3.63Å; W281-L285 WeakPolarHBondContact O-CB 3.36Å; W281-L285 WeakPolarHBondContact O-CG 3.46Å; W281-L285 PolarHBondContact O-N 3.23Å; W281-I305 HydrophobicContact CH2-CG2 4.4Å; W281-I305 HydrophobicContact CZ2-CD1 4.11Å; W281-I305 HydrophobicContact CZ2-CG2 3.94Å; W281-F309 AromaticContact CH2-CE2 3.72Å; W281-F309 HydrophobicContact CH2-CE2 3.72Å; W281-F309 HydrophobicContact CH2-CZ 4.36Å; W281-F309 HydrophobicContact CZ2-CE2 4.23Å; W281-V322 HydrophobicContact CH2-CG2 3.21Å; W281-V322 HydrophobicContact CZ2-CG2 3.7Å; W281-V322 HydrophobicContact CZ3-CG2 4.03Å; W281-F325 HydrophobicContact CE3-CE2 4.05Å; W281-F325 HydrophobicContact CZ3-CE2 4.17Å |
| 282 | Q | 96.6 | Very high | 95.4 | Very high | 69 Ų | 69 | 33.3 Ų | 33.3 | 32% | 0.322 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -54.2 | -55.3 | 173.3 | 172.9 | 172.9 | 3.8 | 0 | 0 | 110.4 | C278 A284 L285 E286 F325 | C278-Q282 WeakPolarHBondContact O-CB 3.37Å; C278-Q282 PolarHBondContact O-N 3.43Å; Q282-A284 VanDerWaalsContact C-N 3.3Å; Q282-A284 PolarHBondContact O-N 2.84Å; Q282-L285 PolarHBondContact O-N 3.08Å; Q282-E286 VanDerWaalsContact CG-CD 3.5Å; Q282-E286 HydrophobicContact CG-CG 4.25Å; Q282-E286 WeakPolarHBondContact CG-OE1 3.49Å; Q282-E286 PolarHBondContact NE2-OE1 2.98Å; Q282-E286 WeakPolarHBondContact O-CB 3.42Å; Q282-E286 VanDerWaalsContact O-CG 3.32Å; Q282-E286 WeakPolarHBondContact O-CG 3.48Å; Q282-E286 PolarHBondContact O-N 3.39Å; Q282-F325 HydrophobicContact CB-CD1 4.4Å; Q282-F325 HydrophobicContact CB-CE1 3.86Å; Q282-F325 HydrophobicContact CB-CE2 4.19Å; Q282-F325 HydrophobicContact CB-CZ 3.73Å; Q282-F325 HydrophobicContact CG-CD1 3.82Å; Q282-F325 HydrophobicContact CG-CE1 3.48Å; Q282-F325 VanDerWaalsContact CG-CE1 3.48Å; Q282-F325 HydrophobicContact CG-CZ 3.93Å |
| 283 | R | 96.2 | Very high | 95.5 | Very high | 80 Ų | 80 | 33.5 Ų | 33.5 | 30% | 0.302 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.7 | -34.6 | -178.4 | -72.7 | -167.5 | -176.8 | 75.1 | 6.6 | 113.5 | Y213 D279 L280 Y287 | Y213-R283 HydrophobicContact CE1-CB 3.69Å; Y213-R283 PolarHBondContact OH-O 3.42Å; D279-R283 PolarHBondContact O-N 2.78Å; D279-R283 IonicContact OD1-CZ 3.29Å; D279-R283 IonicContact OD1-NH1 2.82Å; D279-R283 PolarHBondContact OD1-NH1 3.43Å; D279-R283 IonicContact OD1-NH2 3.32Å; D279-R283 PolarHBondContact OD1-NH2 3.4Å; D279-R283 IonicContact OD2-CZ 3.12Å; D279-R283 IonicContact OD2-NH1 3.08Å; D279-R283 PolarHBondContact OD2-NH1 2.91Å; D279-R283 IonicContact OD2-NH2 2.81Å; L280-R283 PolarHBondContact O-N 3.5Å; R283-Y287 VanDerWaalsContact O-CB 3.22Å; R283-Y287 WeakPolarHBondContact O-CB 3.38Å; R283-Y287 PolarHBondContact O-N 3.23Å |
| 284 | A | 96.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -69.5 | -39.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y213 I261 V262 L280 W281 Q282 D288 | Y213-A284 VanDerWaalsContact OH-CA 3.31Å; Y213-A284 WeakPolarHBondContact OH-CA 3.28Å; Y213-A284 PolarHBondContact OH-N 2.87Å; I261-A284 HydrophobicContact CB-CB 4.13Å; I261-A284 HydrophobicContact CG2-CB 3.68Å; V262-A284 HydrophobicContact CG2-CB 3.97Å; L280-A284 WeakPolarHBondContact O-CB 3.38Å; L280-A284 PolarHBondContact O-N 3.19Å; W281-A284 PolarHBondContact O-N 3.4Å; Q282-A284 VanDerWaalsContact C-N 3.3Å; Q282-A284 PolarHBondContact O-N 2.84Å; A284-D288 PolarHBondContact O-N 2.97Å |
| 285 | L | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -75.5 | -30.4 | 177.4 | -70.1 | -178 | 0 | 0 | 0 | 113.1 | V262 W281 Q282 Y287 P301 H302 V322 F325 | V262-L285 HydrophobicContact CG2-CD2 4.33Å; W281-L285 HydrophobicContact CD2-CD1 3.9Å; W281-L285 HydrophobicContact CG-CD1 4.27Å; W281-L285 HydrophobicContact CH2-CD1 4.33Å; W281-L285 HydrophobicContact CZ2-CD1 3.63Å; W281-L285 WeakPolarHBondContact O-CB 3.36Å; W281-L285 WeakPolarHBondContact O-CG 3.46Å; W281-L285 PolarHBondContact O-N 3.23Å; Q282-L285 PolarHBondContact O-N 3.08Å; L285-Y287 VanDerWaalsContact C-N 3.31Å; L285-P301 HydrophobicContact CD2-CB 3.72Å; L285-P301 HydrophobicContact CD2-CG 3.96Å; L285-H302 PolarHBondContact O-CE1 3.11Å; L285-H302 PolarHBondContact O-NE2 3.2Å; L285-V322 HydrophobicContact CD1-CG2 4.33Å; L285-F325 HydrophobicContact CB-CB 3.98Å; L285-F325 HydrophobicContact CB-CD2 4.21Å; L285-F325 HydrophobicContact CB-CG 4.46Å; L285-F325 HydrophobicContact CD1-CD2 3.81Å |
| 286 | E | 95.9 | Very high | 95.7 | Very high | 45 Ų | 45 | 21.8 Ų | 21.8 | 21% | 0.21 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -74.7 | -21.8 | 174.1 | -71.2 | 177 | 170.9 | 0 | 0 | 113 | Q282 F325 T328 A329 | Q282-E286 VanDerWaalsContact CG-CD 3.5Å; Q282-E286 HydrophobicContact CG-CG 4.25Å; Q282-E286 WeakPolarHBondContact CG-OE1 3.49Å; Q282-E286 PolarHBondContact NE2-OE1 2.98Å; Q282-E286 WeakPolarHBondContact O-CB 3.42Å; Q282-E286 VanDerWaalsContact O-CG 3.32Å; Q282-E286 WeakPolarHBondContact O-CG 3.48Å; Q282-E286 PolarHBondContact O-N 3.39Å; E286-F325 HydrophobicContact CG-CB 4.13Å; E286-F325 HydrophobicContact CG-CD1 4.35Å; E286-T328 HydrophobicContact CB-CG2 4.4Å; E286-T328 HydrophobicContact CG-CG2 3.93Å; E286-A329 WeakPolarHBondContact O-CA 3.31Å; E286-A329 WeakPolarHBondContact O-CB 3.43Å |
| 287 | Y | 94.2 | Very high | 95.7 | Very high | 17 Ų | 17 | 19.6 Ų | 19.6 | 7% | 0.067 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -81.3 | -44.2 | -179.1 | -174.9 | -85 | 0 | 0 | 0 | 112.8 | N217 M254 N258 R283 L285 H337 | N217-Y287 WeakPolarHBondContact OD1-CD2 3.18Å; N217-Y287 VanDerWaalsContact OD1-CE2 3.3Å; N217-Y287 WeakPolarHBondContact OD1-CE2 3.46Å; M254-Y287 HydrophobicContact CE-CE2 4.44Å; M254-Y287 HydrophobicContact CG-CE1 4.13Å; M254-Y287 HydrophobicContact CG-CE2 4.1Å; M254-Y287 WeakPolarHBondContact CG-OH 3.47Å; N258-Y287 WeakPolarHBondContact ND2-CD1 3.39Å; N258-Y287 WeakPolarHBondContact ND2-CE1 3.23Å; R283-Y287 VanDerWaalsContact O-CB 3.22Å; R283-Y287 WeakPolarHBondContact O-CB 3.38Å; R283-Y287 PolarHBondContact O-N 3.23Å; L285-Y287 VanDerWaalsContact C-N 3.31Å; Y287-H337 AromaticContact CE1-CE1 3.64Å; Y287-H337 AromaticContact CE1-NE2 3.87Å; Y287-H337 AromaticContact CE2-CE1 3.69Å; Y287-H337 AromaticContact CE2-NE2 3.81Å; Y287-H337 AromaticContact CZ-CE1 3.29Å; Y287-H337 AromaticContact CZ-NE2 3.74Å; Y287-H337 PolarHBondContact OH-CE1 3.36Å |
| 288 | D | 93.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | trans | -122.1 | 131.8 | -175.5 | -79.5 | -40 | 0 | 0 | 0 | 112.4 | N258 A284 V291 H302 W382 H386 | N258-D288 PolarHBondContact ND2-OD2 3.11Å; A284-D288 PolarHBondContact O-N 2.97Å; D288-V291 HydrophobicContact CB-CG2 4.3Å; D288-H302 PolarHBondContact O-CE1 3.11Å; D288-H302 VanDerWaalsContact O-CE1 3.24Å; D288-W382 PolarHBondContact OD1-NE1 2.91Å; D288-W382 VanDerWaalsContact OD1-NE1 3.17Å; D288-H386 IonicContact OD1-CE1 3.44Å; D288-H386 PolarHBondContact OD1-CE1 2.66Å; D288-H386 VanDerWaalsContact OD1-CE1 3.29Å; D288-H386 IonicContact OD1-NE2 3.97Å | ||
| 289 | L | 93.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 18 Ų | 18 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -74.9 | -33.5 | 168.1 | -64.5 | 176.8 | 0 | 0 | 0 | 111.8 | P301 H302 Y326 A329 L330 H386 W390 | L289-P301 WeakPolarHBondContact O-CD 3.37Å; L289-H302 PolarHBondContact O-ND1 3.25Å; L289-Y326 HydrophobicContact CD2-CD2 3.88Å; L289-Y326 HydrophobicContact CD2-CE2 3.8Å; L289-A329 HydrophobicContact CD2-CB 3.53Å; L289-A329 HydrophobicContact CG-CB 4.42Å; L289-L330 HydrophobicContact CD1-CD2 3.62Å; L289-L330 HydrophobicContact CD1-CG 4.45Å; L289-L330 HydrophobicContact CD2-CD2 3.91Å; L289-L330 HydrophobicContact CD2-CG 3.84Å; L289-L330 HydrophobicContact CG-CD2 4.45Å; L289-H386 PolarHBondContact N-NE2 3.37Å; L289-H386 VanDerWaalsContact N-NE2 3.11Å; L289-W390 HydrophobicContact CD1-CD2 3.96Å; L289-W390 HydrophobicContact CD1-CE3 3.45Å; L289-W390 VanDerWaalsContact CD1-CE3 3.45Å; L289-W390 HydrophobicContact CD1-CH2 3.88Å; L289-W390 HydrophobicContact CD1-CZ2 4.33Å; L289-W390 HydrophobicContact CD1-CZ3 3.41Å; L289-W390 VanDerWaalsContact CD1-CZ3 3.41Å; L289-W390 HydrophobicContact CG-CZ3 4.41Å |
| 290 | V | 95.2 | Very high | 95.5 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -137.1 | 145.6 | -178.7 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | V298 F299 Y300 R385 Y389 | V290-V298 HydrophobicContact CB-CB 4.12Å; V290-V298 HydrophobicContact CB-CG2 4.23Å; V290-V298 HydrophobicContact CG1-CG2 4.3Å; V290-V298 HydrophobicContact CG2-CB 4.47Å; V290-V298 HydrophobicContact CG2-CG1 4.47Å; V290-F299 CarbonylContact C-O 3.59Å; V290-F299 VanDerWaalsContact CA-O 3.3Å; V290-F299 WeakPolarHBondContact CA-O 3.47Å; V290-Y300 HydrophobicContact CG1-CD1 3.37Å; V290-Y300 HydrophobicContact CG1-CE1 3.44Å; V290-Y300 VanDerWaalsContact CG1-CE1 3.44Å; V290-Y300 HydrophobicContact CG1-CG 4.09Å; V290-R385 HydrophobicContact CG2-CB 4.42Å; V290-Y389 HydrophobicContact CG2-CD2 4.38Å |
| 291 | V | 95.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 140.9 | -177.6 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | R259 V262 F263 D288 L293 V298 F299 P301 | R259-V291 HydrophobicContact CB-CG1 4.32Å; R259-V291 HydrophobicContact CG-CG1 3.31Å; V262-V291 HydrophobicContact CG1-CG2 4.44Å; V262-V291 HydrophobicContact CG2-CG2 4.29Å; F263-V291 HydrophobicContact CZ-CG1 4.39Å; D288-V291 HydrophobicContact CB-CG2 4.3Å; V291-L293 PolarHBondContact O-N 3.48Å; V291-V298 CarbonylContact O-C 3.59Å; V291-V298 WeakPolarHBondContact O-CA 3.25Å; V291-F299 PolarHBondContact N-O 3.4Å; V291-F299 PolarHBondContact O-N 2.87Å; V291-P301 HydrophobicContact CG2-CG 4.13Å |
| 292 | T | 95.1 | Very high | 95.4 | Very high | 15 Ų | 15 | 19.1 Ų | 19.1 | 9% | 0.092 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 123.5 | 178.6 | -46.5 | 0 | 0 | 0 | 0 | 111.3 | D255 R259 R385 | D255-T292 PolarHBondContact OD1-OG1 3.45Å; R259-T292 WeakPolarHBondContact CD-O 3.45Å; R259-T292 PolarHBondContact NE-O 3.48Å; T292-R385 WeakPolarHBondContact OG1-CD 3.48Å; T292-R385 PolarHBondContact OG1-NE 3.43Å; T292-R385 PolarHBondContact OG1-NH1 3.46Å |
| 293 | L | 94.9 | Very high | 95.2 | Very high | 5 Ų | 5 | 21.8 Ų | 21.8 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -56.5 | 163.1 | -72.6 | 165.3 | 0 | 0 | 0 | 109.2 | I144 R148 F263 V291 E297 F299 | I144-L293 HydrophobicContact CB-CD2 4.02Å; I144-L293 HydrophobicContact CD1-CD2 4.04Å; I144-L293 HydrophobicContact CG2-CD1 3.68Å; I144-L293 HydrophobicContact CG2-CD2 3.87Å; I144-L293 HydrophobicContact CG2-CG 4.47Å; R148-L293 VanDerWaalsContact NH1-CD1 3.33Å; F263-L293 HydrophobicContact CE1-CD2 4.35Å; F263-L293 HydrophobicContact CE2-CD2 4.49Å; F263-L293 HydrophobicContact CZ-CD2 3.67Å; V291-L293 PolarHBondContact O-N 3.48Å; L293-E297 HydrophobicContact CB-CB 4.49Å; L293-E297 WeakPolarHBondContact CB-O 3.44Å; L293-E297 PolarHBondContact N-O 2.72Å; L293-F299 HydrophobicContact CD1-CB 4.02Å; L293-F299 HydrophobicContact CD2-CB 4.01Å; L293-F299 HydrophobicContact CG-CB 3.77Å |
| 294 | F | 96.8 | Very high | 95 | Very high | 16 Ų | 16 | 22.1 Ų | 22.1 | 7% | 0.07 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -166 | 126.5 | 176.7 | -175.2 | -111.3 | 0 | 0 | 0 | 110.6 | W24 I27 T28 Y31 D296 E297 | W24-F294 AromaticContact CD1-CE2 3.83Å; W24-F294 AromaticContact NE1-CE2 3.52Å; I27-F294 HydrophobicContact CG2-CB 3.64Å; I27-F294 HydrophobicContact CG2-CD1 3.8Å; I27-F294 HydrophobicContact CG2-CD2 3.35Å; I27-F294 HydrophobicContact CG2-CE1 4.23Å; I27-F294 HydrophobicContact CG2-CE2 3.84Å; I27-F294 HydrophobicContact CG2-CG 3.32Å; I27-F294 HydrophobicContact CG2-CZ 4.26Å; T28-F294 HydrophobicContact CG2-CZ 4.29Å; T28-F294 VanDerWaalsContact OG1-CZ 3.29Å; T28-F294 WeakPolarHBondContact OG1-CZ 3.45Å; Y31-F294 HydrophobicContact CD1-CD1 4.49Å; Y31-F294 HydrophobicContact CD1-CE1 4.18Å; Y31-F294 AromaticContact CD2-CD1 3.65Å; Y31-F294 HydrophobicContact CD2-CD1 3.65Å; Y31-F294 HydrophobicContact CD2-CE1 4.15Å; Y31-F294 HydrophobicContact CE2-CD1 4.45Å; Y31-F294 AromaticContact CG-CD1 3.65Å; Y31-F294 HydrophobicContact CG-CD1 3.65Å; Y31-F294 AromaticContact CG-CE1 3.72Å; Y31-F294 HydrophobicContact CG-CE1 3.72Å; F294-D296 PolarHBondContact O-N 3.44Å; F294-E297 PolarHBondContact N-O 3.49Å; F294-E297 WeakPolarHBondContact O-CB 3.48Å; F294-E297 PolarHBondContact O-N 2.85Å |
| 295 | R | 95.4 | Very high | 94.8 | Very high | 18 Ų | 18 | 22.1 Ų | 22.1 | 7% | 0.068 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | -121 | -179.4 | -61.4 | 170.8 | 174.2 | 175 | -2 | 111.1 | Y31 L546 F549 C584 E592 | Y31-R295 HydrophobicContact CE2-CB 4.14Å; R295-L546 HydrophobicContact CB-CD1 4.28Å; R295-F549 HydrophobicContact CB-CD1 4.44Å; R295-F549 HydrophobicContact CB-CD2 3.97Å; R295-F549 HydrophobicContact CB-CE2 4.35Å; R295-F549 HydrophobicContact CB-CG 4.03Å; R295-F549 HydrophobicContact CG-CD2 3.97Å; R295-F549 HydrophobicContact CG-CE2 3.84Å; R295-F549 HydrophobicContact CG-CG 4.38Å; R295-F549 HydrophobicContact CG-CZ 4.16Å; R295-F549 VanDerWaalsContact CZ-CZ 3.5Å; R295-F549 VanDerWaalsContact NE-CZ 3.31Å; R295-C584 PolarHBondContact NH2-O 2.99Å; R295-E592 IonicContact CZ-OE1 3.94Å; R295-E592 IonicContact CZ-OE2 2.89Å; R295-E592 IonicContact NH1-OE1 3.04Å; R295-E592 IonicContact NH1-OE2 2.73Å; R295-E592 PolarHBondContact NH1-OE2 3.25Å; R295-E592 VanDerWaalsContact NH2-CD 3.29Å; R295-E592 IonicContact NH2-OE1 3.79Å; R295-E592 PolarHBondContact NH2-OE1 3.05Å; R295-E592 IonicContact NH2-OE2 3.08Å; R295-E592 PolarHBondContact NH2-OE2 2.88Å |
| 296 | D | 95 | Very high | 94.6 | Very high | 21 Ų | 21 | 23.7 Ų | 23.7 | 11% | 0.112 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -5.8 | 177.2 | 63.6 | -49.8 | 0 | 0 | 0 | 114.1 | Y31 K35 F294 Y389 F549 Y550 | Y31-D296 WeakPolarHBondContact CE2-OD1 3.16Å; Y31-D296 PolarHBondContact OH-OD1 3.47Å; K35-D296 WeakPolarHBondContact CE-OD2 3.49Å; K35-D296 IonicContact NZ-OD1 3.51Å; K35-D296 IonicContact NZ-OD2 2.71Å; K35-D296 PolarHBondContact NZ-OD2 3.38Å; F294-D296 PolarHBondContact O-N 3.44Å; D296-Y389 PolarHBondContact O-OH 2.94Å; D296-F549 HydrophobicContact CB-CB 4.02Å; D296-Y550 WeakPolarHBondContact CA-OH 3.32Å; D296-Y550 HydrophobicContact CB-CE1 4.03Å; D296-Y550 HydrophobicContact CB-CE2 4.46Å |
| 297 | E | 95.5 | Very high | 94.3 | Very high | 19 Ų | 19 | 25.5 Ų | 25.5 | 9% | 0.089 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 122.2 | 175 | -65.9 | -71.8 | 152.4 | 0 | 0 | 110.9 | Y31 K34 K35 L145 R148 L293 F294 | Y31-E297 HydrophobicContact CD2-CG 3.97Å; Y31-E297 HydrophobicContact CE2-CG 3.95Å; K34-E297 WeakPolarHBondContact CE-OE1 3.48Å; K34-E297 WeakPolarHBondContact CE-OE2 3.26Å; K34-E297 IonicContact NZ-OE1 3.52Å; K34-E297 PolarHBondContact NZ-OE1 3.4Å; K34-E297 IonicContact NZ-OE2 2.67Å; K35-E297 IonicContact NZ-OE1 3.59Å; K35-E297 PolarHBondContact NZ-OE1 2.92Å; L145-E297 HydrophobicContact CD1-CG 4.25Å; R148-E297 IonicContact NH1-OE2 3.91Å; L293-E297 HydrophobicContact CB-CB 4.49Å; L293-E297 WeakPolarHBondContact CB-O 3.44Å; L293-E297 PolarHBondContact N-O 2.72Å; F294-E297 PolarHBondContact N-O 3.49Å; F294-E297 WeakPolarHBondContact O-CB 3.48Å; F294-E297 PolarHBondContact O-N 2.85Å |
| 298 | V | 95.6 | Very high | 94.2 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 152.2 | -176.7 | -58.6 | 0 | 0 | 0 | 0 | 113.3 | R148 V290 V291 Y300 Y389 | R148-V298 PolarHBondContact NH1-O 2.9Å; R148-V298 PolarHBondContact NH2-O 2.67Å; V290-V298 HydrophobicContact CB-CB 4.12Å; V290-V298 HydrophobicContact CB-CG2 4.23Å; V290-V298 HydrophobicContact CG1-CG2 4.3Å; V290-V298 HydrophobicContact CG2-CB 4.47Å; V290-V298 HydrophobicContact CG2-CG1 4.47Å; V291-V298 CarbonylContact O-C 3.59Å; V291-V298 WeakPolarHBondContact O-CA 3.25Å; V298-Y300 HydrophobicContact CG2-CE2 4.03Å; V298-Y389 HydrophobicContact CB-CD2 4.3Å; V298-Y389 HydrophobicContact CB-CE2 4.26Å; V298-Y389 HydrophobicContact CG1-CD2 3.69Å; V298-Y389 HydrophobicContact CG1-CE2 3.48Å; V298-Y389 VanDerWaalsContact CG1-CE2 3.48Å; V298-Y389 HydrophobicContact CG2-CD1 3.93Å; V298-Y389 HydrophobicContact CG2-CD2 3.69Å; V298-Y389 HydrophobicContact CG2-CE1 3.94Å; V298-Y389 HydrophobicContact CG2-CE2 3.74Å; V298-Y389 HydrophobicContact CG2-CG 3.81Å |
| 299 | F | 95.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.9 | 170.7 | -179 | -113.1 | 0 | 0 | 0 | 109.9 | I144 L188 V262 F263 V290 V291 L293 P301 Y304 | I144-F299 HydrophobicContact CD1-CD2 4.17Å; I144-F299 HydrophobicContact CD1-CE2 4.13Å; I144-F299 HydrophobicContact CG2-CD2 4.48Å; L188-F299 HydrophobicContact CD1-CE2 4.22Å; L188-F299 HydrophobicContact CD1-CZ 3.9Å; V262-F299 HydrophobicContact CG1-CE1 4.37Å; F263-F299 HydrophobicContact CD1-CE1 4.45Å; F263-F299 HydrophobicContact CE1-CB 4.39Å; F263-F299 AromaticContact CE1-CD1 3.62Å; F263-F299 HydrophobicContact CE1-CD1 3.62Å; F263-F299 AromaticContact CE1-CE1 3.92Å; F263-F299 HydrophobicContact CE1-CE1 3.92Å; F263-F299 AromaticContact CE1-CG 3.96Å; F263-F299 HydrophobicContact CE1-CG 3.96Å; F263-F299 HydrophobicContact CZ-CB 4.36Å; F263-F299 HydrophobicContact CZ-CD1 4.31Å; F263-F299 HydrophobicContact CZ-CG 4.41Å; V290-F299 CarbonylContact C-O 3.59Å; V290-F299 VanDerWaalsContact CA-O 3.3Å; V290-F299 WeakPolarHBondContact CA-O 3.47Å; V291-F299 PolarHBondContact N-O 3.4Å; V291-F299 PolarHBondContact O-N 2.87Å; L293-F299 HydrophobicContact CD1-CB 4.02Å; L293-F299 HydrophobicContact CD2-CB 4.01Å; L293-F299 HydrophobicContact CG-CB 3.77Å; F299-P301 HydrophobicContact CD1-CB 3.94Å; F299-P301 VanDerWaalsContact CE1-CA 3.41Å; F299-P301 HydrophobicContact CE1-CB 3.76Å; F299-P301 WeakPolarHBondContact O-CD 3.42Å; F299-Y304 HydrophobicContact CD2-CD2 4.18Å; F299-Y304 HydrophobicContact CD2-CG 4.16Å; F299-Y304 AromaticContact CE2-CD1 3.69Å; F299-Y304 HydrophobicContact CE2-CD1 3.69Å; F299-Y304 AromaticContact CE2-CD2 3.88Å; F299-Y304 HydrophobicContact CE2-CD2 3.88Å; F299-Y304 HydrophobicContact CE2-CE1 4.34Å; F299-Y304 AromaticContact CE2-CG 3.41Å; F299-Y304 HydrophobicContact CE2-CG 3.41Å; F299-Y304 VanDerWaalsContact CE2-CG 3.41Å; F299-Y304 VanDerWaalsContact CZ-CB 3.48Å; F299-Y304 HydrophobicContact CZ-CD1 4.45Å; F299-Y304 AromaticContact CZ-CG 3.96Å; F299-Y304 HydrophobicContact CZ-CG 3.96Å |
| 300 | Y | 95.1 | Very high | 94 | Very high | 83 Ų | 83 | 31.8 Ų | 31.8 | 33% | 0.325 | 15% | 0.149 | S | C | . | . | trans | -99.5 | 82.6 | 176.5 | -65.6 | -92.4 | 0 | 0 | 0 | 109.1 | V290 V298 H302 Q303 Y304 Y389 | V290-Y300 HydrophobicContact CG1-CD1 3.37Å; V290-Y300 HydrophobicContact CG1-CE1 3.44Å; V290-Y300 VanDerWaalsContact CG1-CE1 3.44Å; V290-Y300 HydrophobicContact CG1-CG 4.09Å; V298-Y300 HydrophobicContact CG2-CE2 4.03Å; Y300-H302 VanDerWaalsContact C-N 3.3Å; Y300-H302 PolarHBondContact O-N 2.83Å; Y300-Q303 PolarHBondContact O-N 3.15Å; Y300-Y304 WeakPolarHBondContact O-CB 3.4Å; Y300-Y304 WeakPolarHBondContact O-CD2 3.48Å; Y300-Y304 PolarHBondContact O-N 3.11Å; Y300-Y389 WeakPolarHBondContact OH-CD1 3.47Å | ||
| 301 | P | 94.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.9 | -43 | -169.3 | 24.5 | -36.2 | 0 | 0 | 0 | 112.5 | V262 L285 L289 V291 F299 Q303 I305 | V262-P301 HydrophobicContact CG1-CB 3.78Å; L285-P301 HydrophobicContact CD2-CB 3.72Å; L285-P301 HydrophobicContact CD2-CG 3.96Å; L289-P301 WeakPolarHBondContact O-CD 3.37Å; V291-P301 HydrophobicContact CG2-CG 4.13Å; F299-P301 HydrophobicContact CD1-CB 3.94Å; F299-P301 VanDerWaalsContact CE1-CA 3.41Å; F299-P301 HydrophobicContact CE1-CB 3.76Å; F299-P301 WeakPolarHBondContact O-CD 3.42Å; P301-Q303 PolarHBondContact O-N 3.43Å; P301-I305 HydrophobicContact CB-CD1 4.08Å; P301-I305 WeakPolarHBondContact O-CB 3.11Å; P301-I305 WeakPolarHBondContact O-CD1 3.36Å; P301-I305 WeakPolarHBondContact O-CG1 3.3Å; P301-I305 PolarHBondContact O-N 3.48Å |
| 302 | H | 95.3 | Very high | 93.3 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.019 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.7 | -48.7 | -179.8 | -61.6 | 100.8 | 0 | 0 | 0 | 113.2 | L285 D288 L289 Y300 Q306 V322 Y326 | L285-H302 PolarHBondContact O-CE1 3.11Å; L285-H302 PolarHBondContact O-NE2 3.2Å; D288-H302 PolarHBondContact O-CE1 3.11Å; D288-H302 VanDerWaalsContact O-CE1 3.24Å; L289-H302 PolarHBondContact O-ND1 3.25Å; Y300-H302 VanDerWaalsContact C-N 3.3Å; Y300-H302 PolarHBondContact O-N 2.83Å; H302-Q306 WeakPolarHBondContact O-CB 3.48Å; H302-Q306 WeakPolarHBondContact O-CG 3.47Å; H302-Q306 PolarHBondContact O-N 3.22Å; H302-Q306 PolarHBondContact O-NE2 2.86Å; H302-V322 HydrophobicContact CB-CG1 4.27Å; H302-Y326 HydrophobicContact CB-CD2 3.75Å; H302-Y326 HydrophobicContact CB-CE2 4.46Å; H302-Y326 HydrophobicContact CB-CG 4.15Å; H302-Y326 VanDerWaalsContact CD2-CB 3.47Å; H302-Y326 WeakPolarHBondContact CD2-CB 3.29Å; H302-Y326 AromaticContact CD2-CD2 3.98Å; H302-Y326 AromaticContact CG-CD2 3.5Å; H302-Y326 AromaticContact ND1-CD2 3.62Å |
| 303 | Q | 92.9 | Very high | 93 | Very high | 125 Ų | 125 | 46.5 Ų | 46.5 | 58% | 0.584 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -73.7 | -48.4 | -178.2 | -176.9 | -179.3 | -1.9 | 0 | 0 | 111.3 | Y300 P301 I305 Q306 T307 | Y300-Q303 PolarHBondContact O-N 3.15Å; P301-Q303 PolarHBondContact O-N 3.43Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 2.88Å; Q303-Q306 PolarHBondContact O-N 3.38Å; Q303-T307 PolarHBondContact O-N 2.87Å; Q303-T307 VanDerWaalsContact O-N 3.09Å; Q303-T307 PolarHBondContact O-OG1 3.42Å |
| 304 | Y | 90.9 | Very high | 92.8 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 34% | 0.341 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | -177.5 | -89.9 | -97.3 | 0 | 0 | 0 | 112 | F299 Y300 T307 F308 | F299-Y304 HydrophobicContact CD2-CD2 4.18Å; F299-Y304 HydrophobicContact CD2-CG 4.16Å; F299-Y304 AromaticContact CE2-CD1 3.69Å; F299-Y304 HydrophobicContact CE2-CD1 3.69Å; F299-Y304 AromaticContact CE2-CD2 3.88Å; F299-Y304 HydrophobicContact CE2-CD2 3.88Å; F299-Y304 HydrophobicContact CE2-CE1 4.34Å; F299-Y304 AromaticContact CE2-CG 3.41Å; F299-Y304 HydrophobicContact CE2-CG 3.41Å; F299-Y304 VanDerWaalsContact CE2-CG 3.41Å; F299-Y304 VanDerWaalsContact CZ-CB 3.48Å; F299-Y304 HydrophobicContact CZ-CD1 4.45Å; F299-Y304 AromaticContact CZ-CG 3.96Å; F299-Y304 HydrophobicContact CZ-CG 3.96Å; Y300-Y304 WeakPolarHBondContact O-CB 3.4Å; Y300-Y304 WeakPolarHBondContact O-CD2 3.48Å; Y300-Y304 PolarHBondContact O-N 3.11Å; Y304-T307 PolarHBondContact O-N 3.49Å; Y304-F308 VanDerWaalsContact O-CB 3.32Å; Y304-F308 WeakPolarHBondContact O-CB 3.48Å; Y304-F308 PolarHBondContact O-N 3.46Å |
| 305 | I | 91.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -37.6 | 179.7 | -63 | 166 | 0 | 0 | 0 | 111 | W281 P301 Q303 F308 F309 V322 | W281-I305 HydrophobicContact CH2-CG2 4.4Å; W281-I305 HydrophobicContact CZ2-CD1 4.11Å; W281-I305 HydrophobicContact CZ2-CG2 3.94Å; P301-I305 HydrophobicContact CB-CD1 4.08Å; P301-I305 WeakPolarHBondContact O-CB 3.11Å; P301-I305 WeakPolarHBondContact O-CD1 3.36Å; P301-I305 WeakPolarHBondContact O-CG1 3.3Å; P301-I305 PolarHBondContact O-N 3.48Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 2.88Å; I305-F308 PolarHBondContact O-N 2.96Å; I305-F309 HydrophobicContact CG2-CD1 4.11Å; I305-F309 HydrophobicContact CG2-CD2 3.66Å; I305-F309 HydrophobicContact CG2-CE1 3.91Å; I305-F309 HydrophobicContact CG2-CE2 3.47Å; I305-F309 VanDerWaalsContact CG2-CE2 3.47Å; I305-F309 HydrophobicContact CG2-CG 4Å; I305-F309 HydrophobicContact CG2-CZ 3.59Å; I305-F309 VanDerWaalsContact O-CB 3.3Å; I305-F309 WeakPolarHBondContact O-CB 3.23Å; I305-F309 VanDerWaalsContact O-CG 3.31Å; I305-F309 WeakPolarHBondContact O-CG 3.11Å; I305-F309 PolarHBondContact O-N 3.36Å; I305-V322 HydrophobicContact CG2-CG2 4.41Å |
| 306 | Q | 92.8 | Very high | 92.5 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -52.3 | 173.5 | -77.6 | 173.6 | 63 | 0 | 0 | 111.3 | H302 Q303 F308 F309 E310 I319 V322 | H302-Q306 WeakPolarHBondContact O-CB 3.48Å; H302-Q306 WeakPolarHBondContact O-CG 3.47Å; H302-Q306 PolarHBondContact O-N 3.22Å; H302-Q306 PolarHBondContact O-NE2 2.86Å; Q303-Q306 PolarHBondContact O-N 3.38Å; Q306-F308 VanDerWaalsContact C-N 3.31Å; Q306-F308 PolarHBondContact O-N 2.98Å; Q306-F309 PolarHBondContact O-N 3.18Å; Q306-E310 WeakPolarHBondContact O-CG 3.43Å; Q306-E310 PolarHBondContact O-N 3.12Å; Q306-I319 HydrophobicContact CG-CG2 4.32Å; Q306-V322 HydrophobicContact CG-CB 4.27Å; Q306-V322 HydrophobicContact CG-CG1 3.88Å |
| 307 | T | 91.5 | Very high | 92.3 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 178.9 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | Q303 Y304 | Q303-T307 PolarHBondContact O-N 2.87Å; Q303-T307 VanDerWaalsContact O-N 3.09Å; Q303-T307 PolarHBondContact O-OG1 3.42Å; Y304-T307 PolarHBondContact O-N 3.49Å |
| 308 | F | 91.8 | Very high | 92.2 | Very high | 26 Ų | 26 | 63.8 Ų | 63.8 | 11% | 0.114 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 175.3 | 173.5 | -130.2 | 0 | 0 | 0 | 111.9 | K189 H269 Y304 I305 Q306 G311 I312 | K189-F308 HydrophobicContact CB-CE2 4.13Å; H269-F308 AromaticContact CD2-CE1 3.78Å; H269-F308 AromaticContact CD2-CZ 3.97Å; H269-F308 AromaticContact NE2-CZ 3.98Å; Y304-F308 VanDerWaalsContact O-CB 3.32Å; Y304-F308 WeakPolarHBondContact O-CB 3.48Å; Y304-F308 PolarHBondContact O-N 3.46Å; I305-F308 PolarHBondContact O-N 2.96Å; Q306-F308 VanDerWaalsContact C-N 3.31Å; Q306-F308 PolarHBondContact O-N 2.98Å; F308-G311 PolarHBondContact O-N 3.41Å; F308-I312 HydrophobicContact CE1-CD1 4.17Å; F308-I312 HydrophobicContact CE2-CD1 4.19Å; F308-I312 HydrophobicContact CZ-CD1 3.91Å |
| 309 | F | 93.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -73.8 | -24.9 | -178.2 | -74.6 | 0.1 | 0 | 0 | 0 | 114.1 | H269 L272 W281 I305 Q306 G311 I312 Y315 R318 I319 | H269-F309 HydrophobicContact CB-CE1 3.71Å; H269-F309 HydrophobicContact CB-CZ 3.72Å; L272-F309 HydrophobicContact CD1-CE2 4.28Å; L272-F309 HydrophobicContact CD1-CZ 4.04Å; W281-F309 AromaticContact CH2-CE2 3.72Å; W281-F309 HydrophobicContact CH2-CE2 3.72Å; W281-F309 HydrophobicContact CH2-CZ 4.36Å; W281-F309 HydrophobicContact CZ2-CE2 4.23Å; I305-F309 HydrophobicContact CG2-CD1 4.11Å; I305-F309 HydrophobicContact CG2-CD2 3.66Å; I305-F309 HydrophobicContact CG2-CE1 3.91Å; I305-F309 HydrophobicContact CG2-CE2 3.47Å; I305-F309 VanDerWaalsContact CG2-CE2 3.47Å; I305-F309 HydrophobicContact CG2-CG 4Å; I305-F309 HydrophobicContact CG2-CZ 3.59Å; I305-F309 VanDerWaalsContact O-CB 3.3Å; I305-F309 WeakPolarHBondContact O-CB 3.23Å; I305-F309 VanDerWaalsContact O-CG 3.31Å; I305-F309 WeakPolarHBondContact O-CG 3.11Å; I305-F309 PolarHBondContact O-N 3.36Å; Q306-F309 PolarHBondContact O-N 3.18Å; F309-G311 PolarHBondContact O-N 3.39Å; F309-I312 HydrophobicContact CD1-CD1 3.98Å; F309-I312 HydrophobicContact CE1-CD1 4.47Å; F309-I312 PolarHBondContact O-N 2.93Å; F309-Y315 HydrophobicContact CB-CD1 4.18Å; F309-Y315 AromaticContact CD1-CD1 3.83Å; F309-Y315 HydrophobicContact CD1-CD1 3.83Å; F309-Y315 HydrophobicContact CD1-CE1 4.19Å; F309-Y315 AromaticContact CD2-CD1 3.62Å; F309-Y315 HydrophobicContact CD2-CD1 3.62Å; F309-Y315 HydrophobicContact CD2-CE1 4.35Å; F309-Y315 HydrophobicContact CE1-CD1 4.04Å; F309-Y315 AromaticContact CE1-CE1 3.97Å; F309-Y315 HydrophobicContact CE1-CE1 3.97Å; F309-Y315 AromaticContact CE2-CD1 3.81Å; F309-Y315 HydrophobicContact CE2-CD1 3.81Å; F309-Y315 HydrophobicContact CE2-CE1 4.11Å; F309-Y315 AromaticContact CG-CD1 3.62Å; F309-Y315 HydrophobicContact CG-CD1 3.62Å; F309-Y315 HydrophobicContact CG-CE1 4.38Å; F309-Y315 HydrophobicContact CG-CG 4.42Å; F309-Y315 HydrophobicContact CZ-CD1 4.03Å; F309-Y315 AromaticContact CZ-CE1 3.93Å; F309-Y315 HydrophobicContact CZ-CE1 3.93Å; F309-R318 HydrophobicContact CD2-CB 3.95Å; F309-R318 HydrophobicContact CE2-CB 4.02Å; F309-I319 HydrophobicContact CB-CD1 4.15Å; F309-I319 HydrophobicContact CB-CG1 3.74Å |
| 310 | E | 90.8 | Very high | 92.1 | Very high | 128 Ų | 128 | 67.7 Ų | 67.7 | 60% | 0.598 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -56 | -30.3 | 170.9 | -78.6 | 171.7 | 175.2 | 0 | 0 | 111.9 | Q306 I312 I319 | Q306-E310 WeakPolarHBondContact O-CG 3.43Å; Q306-E310 PolarHBondContact O-N 3.12Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 2.84Å; E310-I319 HydrophobicContact CG-CD1 3.93Å |
| 311 | G | 85 | Confident | 92.1 | Very high | 73 Ų | 73 | 64.8 Ų | 64.8 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | F308 F309 | F308-G311 PolarHBondContact O-N 3.41Å; F309-G311 PolarHBondContact O-N 3.39Å |
| 312 | I | 89.7 | Confident | 92.2 | Very high | 45 Ų | 45 | 64.8 Ų | 64.8 | 23% | 0.231 | 35% | 0.348 | C | S | . | . | S | Bend | trans | -112.1 | 116.5 | -172.2 | -49.9 | 179.7 | 0 | 0 | 0 | 110.5 | F308 F309 E310 G314 Y315 | F308-I312 HydrophobicContact CE1-CD1 4.17Å; F308-I312 HydrophobicContact CE2-CD1 4.19Å; F308-I312 HydrophobicContact CZ-CD1 3.91Å; F309-I312 HydrophobicContact CD1-CD1 3.98Å; F309-I312 HydrophobicContact CE1-CD1 4.47Å; F309-I312 PolarHBondContact O-N 2.93Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 2.84Å; I312-G314 PolarHBondContact O-N 3.34Å; I312-Y315 HydrophobicContact CB-CD2 3.91Å; I312-Y315 HydrophobicContact CB-CE2 4.4Å; I312-Y315 HydrophobicContact CB-CG 4.06Å; I312-Y315 HydrophobicContact CG2-CD2 3.38Å; I312-Y315 HydrophobicContact CG2-CE2 3.5Å; I312-Y315 HydrophobicContact CG2-CG 4.03Å; I312-Y315 PolarHBondContact O-N 2.9Å |
| 313 | K | 89.6 | Confident | 92.2 | Very high | 208 Ų | 208 | 69.8 Ų | 69.8 | 90% | 0.904 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 131.7 | 178.6 | -70.4 | -176.3 | 178.9 | 179.3 | 0 | 111.2 | ||
| 314 | G | 89.6 | Confident | 92.4 | Very high | 70 Ų | 70 | 69.6 Ų | 69.6 | 72% | 0.722 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.1 | -3.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I312 N316 | I312-G314 PolarHBondContact O-N 3.34Å; G314-N316 VanDerWaalsContact C-N 3.33Å; G314-N316 PolarHBondContact O-N 2.87Å |
| 315 | Y | 92.9 | Very high | 92.7 | Very high | 41 Ų | 41 | 65.9 Ų | 65.9 | 16% | 0.161 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 7.6 | -176.5 | -83.7 | -120 | 0 | 0 | 0 | 114.5 | H269 F309 I312 K317 R318 I319 | H269-Y315 HydrophobicContact CB-CE1 4.37Å; H269-Y315 AromaticContact ND1-CE1 3.59Å; H269-Y315 AromaticContact ND1-CZ 3.41Å; H269-Y315 PolarHBondContact ND1-OH 3.37Å; F309-Y315 HydrophobicContact CB-CD1 4.18Å; F309-Y315 AromaticContact CD1-CD1 3.83Å; F309-Y315 HydrophobicContact CD1-CD1 3.83Å; F309-Y315 HydrophobicContact CD1-CE1 4.19Å; F309-Y315 AromaticContact CD2-CD1 3.62Å; F309-Y315 HydrophobicContact CD2-CD1 3.62Å; F309-Y315 HydrophobicContact CD2-CE1 4.35Å; F309-Y315 HydrophobicContact CE1-CD1 4.04Å; F309-Y315 AromaticContact CE1-CE1 3.97Å; F309-Y315 HydrophobicContact CE1-CE1 3.97Å; F309-Y315 AromaticContact CE2-CD1 3.81Å; F309-Y315 HydrophobicContact CE2-CD1 3.81Å; F309-Y315 HydrophobicContact CE2-CE1 4.11Å; F309-Y315 AromaticContact CG-CD1 3.62Å; F309-Y315 HydrophobicContact CG-CD1 3.62Å; F309-Y315 HydrophobicContact CG-CE1 4.38Å; F309-Y315 HydrophobicContact CG-CG 4.42Å; F309-Y315 HydrophobicContact CZ-CD1 4.03Å; F309-Y315 AromaticContact CZ-CE1 3.93Å; F309-Y315 HydrophobicContact CZ-CE1 3.93Å; I312-Y315 HydrophobicContact CB-CD2 3.91Å; I312-Y315 HydrophobicContact CB-CE2 4.4Å; I312-Y315 HydrophobicContact CB-CG 4.06Å; I312-Y315 HydrophobicContact CG2-CD2 3.38Å; I312-Y315 HydrophobicContact CG2-CE2 3.5Å; I312-Y315 HydrophobicContact CG2-CG 4.03Å; I312-Y315 PolarHBondContact O-N 2.9Å; Y315-K317 VanDerWaalsContact C-N 3.26Å; Y315-K317 PolarHBondContact O-N 3Å; Y315-R318 HydrophobicContact CD1-CB 4.05Å; Y315-R318 HydrophobicContact CD1-CG 4.09Å; Y315-R318 HydrophobicContact CE1-CG 4.48Å; Y315-R318 WeakPolarHBondContact O-CA 3.46Å; Y315-R318 WeakPolarHBondContact O-CB 3.33Å; Y315-R318 PolarHBondContact O-N 2.86Å; Y315-I319 WeakPolarHBondContact O-CG1 3.32Å; Y315-I319 PolarHBondContact O-N 3.28Å |
| 316 | N | 92.4 | Very high | 92.8 | Very high | 131 Ų | 131 | 69.4 Ų | 69.4 | 70% | 0.701 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -52.7 | -40.9 | 179.1 | -69.1 | -29.5 | 0 | 0 | 0 | 113.3 | G314 I319 S320 | G314-N316 VanDerWaalsContact C-N 3.33Å; G314-N316 PolarHBondContact O-N 2.87Å; N316-I319 PolarHBondContact O-N 3.01Å; N316-S320 PolarHBondContact O-N 3.14Å; N316-S320 VanDerWaalsContact O-N 3.13Å |
| 317 | K | 92.4 | Very high | 92.9 | Very high | 149 Ų | 149 | 70.4 Ų | 70.4 | 65% | 0.648 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.4 | -44.5 | 175 | -175.7 | 179.1 | 177 | -178.5 | 0 | 111.4 | Y315 I319 S320 D321 | Y315-K317 VanDerWaalsContact C-N 3.26Å; Y315-K317 PolarHBondContact O-N 3Å; K317-I319 VanDerWaalsContact C-N 3.32Å; K317-I319 PolarHBondContact O-N 3.27Å; K317-S320 CarbonylContact O-C 3.58Å; K317-S320 WeakPolarHBondContact O-CA 3.49Å; K317-S320 VanDerWaalsContact O-CB 3.22Å; K317-S320 WeakPolarHBondContact O-CB 3.43Å; K317-S320 PolarHBondContact O-N 3.04Å; K317-D321 VanDerWaalsContact O-CG 3.27Å; K317-D321 PolarHBondContact O-N 2.8Å |
| 318 | R | 92.4 | Very high | 93.1 | Very high | 50 Ų | 50 | 67.7 Ų | 67.7 | 19% | 0.189 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 178.7 | -64.3 | -59.3 | 179.3 | -149.9 | 8.3 | 112.7 | L272 F309 Y315 S320 D321 V322 | L272-R318 PolarHBondContact O-NH2 3.01Å; F309-R318 HydrophobicContact CD2-CB 3.95Å; F309-R318 HydrophobicContact CE2-CB 4.02Å; Y315-R318 HydrophobicContact CD1-CB 4.05Å; Y315-R318 HydrophobicContact CD1-CG 4.09Å; Y315-R318 HydrophobicContact CE1-CG 4.48Å; Y315-R318 WeakPolarHBondContact O-CA 3.46Å; Y315-R318 WeakPolarHBondContact O-CB 3.33Å; Y315-R318 PolarHBondContact O-N 2.86Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 3.29Å; R318-D321 WeakPolarHBondContact CD-OD2 3.44Å; R318-D321 IonicContact CZ-OD2 3.77Å; R318-D321 IonicContact NH1-OD2 3.14Å; R318-D321 PolarHBondContact NH1-OD2 3.41Å; R318-D321 PolarHBondContact O-N 2.83Å; R318-V322 VanDerWaalsContact O-CG2 3.31Å; R318-V322 WeakPolarHBondContact O-CG2 3.48Å; R318-V322 PolarHBondContact O-N 3.45Å |
| 319 | I | 94.1 | Very high | 93.2 | Very high | 15 Ų | 15 | 66.4 Ų | 66.4 | 8% | 0.077 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.5 | -39.9 | 171.7 | -66.6 | 164.9 | 0 | 0 | 0 | 110.4 | Q306 F309 E310 Y315 N316 K317 K323 | Q306-I319 HydrophobicContact CG-CG2 4.32Å; F309-I319 HydrophobicContact CB-CD1 4.15Å; F309-I319 HydrophobicContact CB-CG1 3.74Å; E310-I319 HydrophobicContact CG-CD1 3.93Å; Y315-I319 WeakPolarHBondContact O-CG1 3.32Å; Y315-I319 PolarHBondContact O-N 3.28Å; N316-I319 PolarHBondContact O-N 3.01Å; K317-I319 VanDerWaalsContact C-N 3.32Å; K317-I319 PolarHBondContact O-N 3.27Å; I319-K323 HydrophobicContact CG2-CD 4.49Å; I319-K323 WeakPolarHBondContact O-CG 3.27Å; I319-K323 PolarHBondContact O-N 3Å |
| 320 | S | 95.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 68.2 Ų | 68.2 | 48% | 0.483 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 174.3 | -164.3 | 0 | 0 | 0 | 0 | 112.1 | N316 K317 R318 V322 K323 E324 | N316-S320 PolarHBondContact O-N 3.14Å; N316-S320 VanDerWaalsContact O-N 3.13Å; K317-S320 CarbonylContact O-C 3.58Å; K317-S320 WeakPolarHBondContact O-CA 3.49Å; K317-S320 VanDerWaalsContact O-CB 3.22Å; K317-S320 WeakPolarHBondContact O-CB 3.43Å; K317-S320 PolarHBondContact O-N 3.04Å; R318-S320 VanDerWaalsContact C-N 3.28Å; R318-S320 PolarHBondContact O-N 3.29Å; S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 2.77Å; S320-K323 WeakPolarHBondContact O-CB 3.44Å; S320-K323 PolarHBondContact O-N 3.14Å; S320-K323 VanDerWaalsContact O-N 3.12Å; S320-E324 PolarHBondContact O-N 3.38Å |
| 321 | D | 95.1 | Very high | 93.1 | Very high | 23 Ų | 23 | 69.2 Ų | 69.2 | 12% | 0.123 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -57.4 | -46.1 | 177.9 | -57.8 | -19 | 0 | 0 | 0 | 110.4 | K317 R318 K323 E324 F325 | K317-D321 VanDerWaalsContact O-CG 3.27Å; K317-D321 PolarHBondContact O-N 2.8Å; R318-D321 WeakPolarHBondContact CD-OD2 3.44Å; R318-D321 IonicContact CZ-OD2 3.77Å; R318-D321 IonicContact NH1-OD2 3.14Å; R318-D321 PolarHBondContact NH1-OD2 3.41Å; R318-D321 PolarHBondContact O-N 2.83Å; D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 2.96Å; D321-E324 WeakPolarHBondContact O-CB 3.33Å; D321-E324 PolarHBondContact O-N 3.45Å; D321-E324 VanDerWaalsContact O-N 3.1Å; D321-F325 HydrophobicContact CB-CE2 3.97Å; D321-F325 HydrophobicContact CB-CZ 3.87Å; D321-F325 WeakPolarHBondContact O-CD1 3.07Å; D321-F325 WeakPolarHBondContact O-CD2 3.31Å; D321-F325 WeakPolarHBondContact O-CG 3.44Å; D321-F325 PolarHBondContact O-N 3.45Å |
| 322 | V | 95.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -35.1 | 177.9 | 176 | 0 | 0 | 0 | 0 | 112.4 | W281 L285 H302 I305 Q306 R318 S320 E324 Y326 | W281-V322 HydrophobicContact CH2-CG2 3.21Å; W281-V322 HydrophobicContact CZ2-CG2 3.7Å; W281-V322 HydrophobicContact CZ3-CG2 4.03Å; L285-V322 HydrophobicContact CD1-CG2 4.33Å; H302-V322 HydrophobicContact CB-CG1 4.27Å; I305-V322 HydrophobicContact CG2-CG2 4.41Å; Q306-V322 HydrophobicContact CG-CB 4.27Å; Q306-V322 HydrophobicContact CG-CG1 3.88Å; R318-V322 VanDerWaalsContact O-CG2 3.31Å; R318-V322 WeakPolarHBondContact O-CG2 3.48Å; R318-V322 PolarHBondContact O-N 3.45Å; S320-V322 VanDerWaalsContact C-N 3.33Å; S320-V322 PolarHBondContact O-N 2.77Å; V322-E324 VanDerWaalsContact C-N 3.34Å; V322-Y326 WeakPolarHBondContact O-CB 3.23Å; V322-Y326 PolarHBondContact O-N 2.65Å |
| 323 | K | 95.9 | Very high | 93.5 | Very high | 109 Ų | 109 | 68.1 Ų | 68.1 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -67.5 | -36.7 | 175 | -73.7 | 173.7 | -178.4 | 179.6 | 0 | 111.6 | I319 S320 D321 A327 | I319-K323 HydrophobicContact CG2-CD 4.49Å; I319-K323 WeakPolarHBondContact O-CG 3.27Å; I319-K323 PolarHBondContact O-N 3Å; S320-K323 WeakPolarHBondContact O-CB 3.44Å; S320-K323 PolarHBondContact O-N 3.14Å; S320-K323 VanDerWaalsContact O-N 3.12Å; D321-K323 VanDerWaalsContact C-N 3.3Å; D321-K323 PolarHBondContact O-N 2.96Å; K323-A327 PolarHBondContact O-N 3.36Å; K323-A327 VanDerWaalsContact O-N 3.1Å |
| 324 | E | 96.5 | Very high | 93.6 | Very high | 120 Ų | 120 | 58.3 Ų | 58.3 | 56% | 0.561 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -68.1 | -47.9 | 174.5 | -174.2 | 175.3 | 179.3 | 0 | 0 | 111.1 | S320 D321 V322 Y326 A327 T328 | S320-E324 PolarHBondContact O-N 3.38Å; D321-E324 WeakPolarHBondContact O-CB 3.33Å; D321-E324 PolarHBondContact O-N 3.45Å; D321-E324 VanDerWaalsContact O-N 3.1Å; V322-E324 VanDerWaalsContact C-N 3.34Å; E324-Y326 VanDerWaalsContact C-N 3.28Å; E324-Y326 PolarHBondContact O-N 3.44Å; E324-A327 WeakPolarHBondContact O-CA 3.31Å; E324-A327 WeakPolarHBondContact O-CB 3.49Å; E324-A327 PolarHBondContact O-N 2.94Å; E324-T328 PolarHBondContact O-N 3.3Å; E324-T328 PolarHBondContact O-OG1 2.87Å |
| 325 | F | 97.1 | Very high | 93.8 | Very high | 10 Ų | 10 | 60.5 Ų | 60.5 | 4% | 0.044 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -57.7 | -42 | 176.4 | -55.8 | -24.8 | 0 | 0 | 0 | 111.7 | W281 Q282 L285 E286 D321 A327 T328 A329 | W281-F325 HydrophobicContact CE3-CE2 4.05Å; W281-F325 HydrophobicContact CZ3-CE2 4.17Å; Q282-F325 HydrophobicContact CB-CD1 4.4Å; Q282-F325 HydrophobicContact CB-CE1 3.86Å; Q282-F325 HydrophobicContact CB-CE2 4.19Å; Q282-F325 HydrophobicContact CB-CZ 3.73Å; Q282-F325 HydrophobicContact CG-CD1 3.82Å; Q282-F325 HydrophobicContact CG-CE1 3.48Å; Q282-F325 VanDerWaalsContact CG-CE1 3.48Å; Q282-F325 HydrophobicContact CG-CZ 3.93Å; L285-F325 HydrophobicContact CB-CB 3.98Å; L285-F325 HydrophobicContact CB-CD2 4.21Å; L285-F325 HydrophobicContact CB-CG 4.46Å; L285-F325 HydrophobicContact CD1-CD2 3.81Å; E286-F325 HydrophobicContact CG-CB 4.13Å; E286-F325 HydrophobicContact CG-CD1 4.35Å; D321-F325 HydrophobicContact CB-CE2 3.97Å; D321-F325 HydrophobicContact CB-CZ 3.87Å; D321-F325 WeakPolarHBondContact O-CD1 3.07Å; D321-F325 WeakPolarHBondContact O-CD2 3.31Å; D321-F325 WeakPolarHBondContact O-CG 3.44Å; D321-F325 PolarHBondContact O-N 3.45Å; F325-A327 VanDerWaalsContact C-N 3.35Å; F325-A327 PolarHBondContact O-N 3.38Å; F325-T328 PolarHBondContact O-N 3.09Å; F325-A329 WeakPolarHBondContact O-CB 3.33Å; F325-A329 PolarHBondContact O-N 2.92Å |
| 326 | Y | 95.6 | Very high | 93.9 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 29% | 0.29 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 174.2 | -178.3 | -116.1 | 0 | 0 | 0 | 112.7 | L289 H302 V322 E324 L330 P391 | L289-Y326 HydrophobicContact CD2-CD2 3.88Å; L289-Y326 HydrophobicContact CD2-CE2 3.8Å; H302-Y326 HydrophobicContact CB-CD2 3.75Å; H302-Y326 HydrophobicContact CB-CE2 4.46Å; H302-Y326 HydrophobicContact CB-CG 4.15Å; H302-Y326 VanDerWaalsContact CD2-CB 3.47Å; H302-Y326 WeakPolarHBondContact CD2-CB 3.29Å; H302-Y326 AromaticContact CD2-CD2 3.98Å; H302-Y326 AromaticContact CG-CD2 3.5Å; H302-Y326 AromaticContact ND1-CD2 3.62Å; V322-Y326 WeakPolarHBondContact O-CB 3.23Å; V322-Y326 PolarHBondContact O-N 2.65Å; E324-Y326 VanDerWaalsContact C-N 3.28Å; E324-Y326 PolarHBondContact O-N 3.44Å; Y326-L330 HydrophobicContact CD1-CD1 3.9Å; Y326-L330 HydrophobicContact CE1-CD1 3.41Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.41Å; Y326-L330 HydrophobicContact CE1-CG 4.36Å; Y326-L330 HydrophobicContact CE2-CD1 4.14Å; Y326-L330 HydrophobicContact CE2-CG 4.25Å; Y326-L330 HydrophobicContact CG-CD1 4.46Å; Y326-L330 WeakPolarHBondContact O-CB 3.4Å; Y326-L330 WeakPolarHBondContact O-CG 3.36Å; Y326-L330 PolarHBondContact O-N 3.15Å; Y326-P391 WeakPolarHBondContact OH-CG 3.37Å |
| 327 | A | 94.1 | Very high | 94.1 | Very high | 53 Ų | 53 | 54.6 Ų | 54.6 | 44% | 0.438 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.2 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | K323 E324 F325 L330 Q331 | K323-A327 PolarHBondContact O-N 3.36Å; K323-A327 VanDerWaalsContact O-N 3.1Å; E324-A327 WeakPolarHBondContact O-CA 3.31Å; E324-A327 WeakPolarHBondContact O-CB 3.49Å; E324-A327 PolarHBondContact O-N 2.94Å; F325-A327 VanDerWaalsContact C-N 3.35Å; F325-A327 PolarHBondContact O-N 3.38Å; A327-L330 PolarHBondContact O-N 3.19Å; A327-Q331 WeakPolarHBondContact O-CB 3.34Å; A327-Q331 PolarHBondContact O-N 3.07Å; A327-Q331 VanDerWaalsContact O-N 3.08Å |
| 328 | T | 95.1 | Very high | 94.2 | Very high | 27 Ų | 27 | 48.1 Ų | 48.1 | 17% | 0.166 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -47.3 | 174.6 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | E286 E324 F325 L330 Q331 Q332 | E286-T328 HydrophobicContact CB-CG2 4.4Å; E286-T328 HydrophobicContact CG-CG2 3.93Å; E324-T328 PolarHBondContact O-N 3.3Å; E324-T328 PolarHBondContact O-OG1 2.87Å; F325-T328 PolarHBondContact O-N 3.09Å; T328-L330 VanDerWaalsContact C-N 3.33Å; T328-L330 PolarHBondContact O-N 3.1Å; T328-Q331 PolarHBondContact O-N 3Å; T328-Q332 HydrophobicContact CG2-CG 4.38Å; T328-Q332 PolarHBondContact O-N 2.99Å |
| 329 | A | 93.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E286 L289 F325 Q331 S333 | E286-A329 WeakPolarHBondContact O-CA 3.31Å; E286-A329 WeakPolarHBondContact O-CB 3.43Å; L289-A329 HydrophobicContact CD2-CB 3.53Å; L289-A329 HydrophobicContact CG-CB 4.42Å; F325-A329 WeakPolarHBondContact O-CB 3.33Å; F325-A329 PolarHBondContact O-N 2.92Å; A329-Q331 PolarHBondContact O-N 3.12Å; A329-S333 WeakPolarHBondContact O-CB 3.4Å; A329-S333 PolarHBondContact O-N 2.74Å; A329-S333 VanDerWaalsContact O-N 3.08Å; A329-S333 PolarHBondContact O-OG 2.94Å |
| 330 | L | 91.4 | Very high | 94.6 | Very high | 37 Ų | 37 | 46.6 Ų | 46.6 | 19% | 0.194 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.1 | -29.7 | 177.1 | -79.3 | 173.3 | 0 | 0 | 0 | 113.6 | L289 Y326 A327 T328 W390 P391 T394 | L289-L330 HydrophobicContact CD1-CD2 3.62Å; L289-L330 HydrophobicContact CD1-CG 4.45Å; L289-L330 HydrophobicContact CD2-CD2 3.91Å; L289-L330 HydrophobicContact CD2-CG 3.84Å; L289-L330 HydrophobicContact CG-CD2 4.45Å; Y326-L330 HydrophobicContact CD1-CD1 3.9Å; Y326-L330 HydrophobicContact CE1-CD1 3.41Å; Y326-L330 VanDerWaalsContact CE1-CD1 3.41Å; Y326-L330 HydrophobicContact CE1-CG 4.36Å; Y326-L330 HydrophobicContact CE2-CD1 4.14Å; Y326-L330 HydrophobicContact CE2-CG 4.25Å; Y326-L330 HydrophobicContact CG-CD1 4.46Å; Y326-L330 WeakPolarHBondContact O-CB 3.4Å; Y326-L330 WeakPolarHBondContact O-CG 3.36Å; Y326-L330 PolarHBondContact O-N 3.15Å; A327-L330 PolarHBondContact O-N 3.19Å; T328-L330 VanDerWaalsContact C-N 3.33Å; T328-L330 PolarHBondContact O-N 3.1Å; L330-W390 HydrophobicContact CD2-CZ2 4Å; L330-P391 HydrophobicContact CD2-CG 3.89Å; L330-T394 HydrophobicContact CD1-CG2 4.48Å |
| 331 | Q | 90.3 | Very high | 94.7 | Very high | 150 Ų | 150 | 43.4 Ų | 43.4 | 70% | 0.701 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -86.7 | -34.6 | -176.9 | -173.4 | 177.7 | 7.5 | 0 | 0 | 113.1 | A327 T328 A329 | A327-Q331 WeakPolarHBondContact O-CB 3.34Å; A327-Q331 PolarHBondContact O-N 3.07Å; A327-Q331 VanDerWaalsContact O-N 3.08Å; T328-Q331 PolarHBondContact O-N 3Å; A329-Q331 PolarHBondContact O-N 3.12Å |
| 332 | Q | 91.8 | Very high | 94.8 | Very high | 93 Ų | 93 | 46.6 Ų | 46.6 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -115.6 | -32.7 | -166 | -59.9 | -175.4 | 5.9 | 0 | 0 | 114.6 | T328 G334 Y335 I336 | T328-Q332 HydrophobicContact CG2-CG 4.38Å; T328-Q332 PolarHBondContact O-N 2.99Å; Q332-G334 PolarHBondContact O-N 2.82Å; Q332-Y335 PolarHBondContact O-N 2.83Å; Q332-I336 HydrophobicContact CB-CD1 4.04Å; Q332-I336 WeakPolarHBondContact O-CG1 3.34Å; Q332-I336 PolarHBondContact O-N 3.42Å |
| 333 | S | 92.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -46.9 | -170.6 | 63.1 | 0 | 0 | 0 | 0 | 112.3 | A329 Y335 I336 H337 | A329-S333 WeakPolarHBondContact O-CB 3.4Å; A329-S333 PolarHBondContact O-N 2.74Å; A329-S333 VanDerWaalsContact O-N 3.08Å; A329-S333 PolarHBondContact O-OG 2.94Å; S333-Y335 PolarHBondContact O-N 3.43Å; S333-I336 PolarHBondContact O-N 3.25Å; S333-I336 VanDerWaalsContact O-N 3.15Å; S333-H337 WeakPolarHBondContact O-CB 3.26Å; S333-H337 PolarHBondContact O-CD2 2.69Å; S333-H337 PolarHBondContact O-N 3.05Å |
| 334 | G | 92 | Very high | 95 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.01 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -50.7 | -51.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q332 S338 | Q332-G334 PolarHBondContact O-N 2.82Å; G334-S338 WeakPolarHBondContact O-CB 3.31Å; G334-S338 PolarHBondContact O-N 3.48Å |
| 335 | Y | 92.7 | Very high | 95.1 | Very high | 116 Ų | 116 | 38.4 Ų | 38.4 | 46% | 0.455 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -60.6 | -51.1 | 176 | 175.1 | -103.5 | 0 | 0 | 0 | 112.6 | Q332 S333 H337 S338 E339 E403 | Q332-Y335 PolarHBondContact O-N 2.83Å; S333-Y335 PolarHBondContact O-N 3.43Å; Y335-H337 PolarHBondContact O-N 3.2Å; Y335-S338 PolarHBondContact O-N 3.15Å; Y335-S338 PolarHBondContact O-OG 3.05Å; Y335-E339 HydrophobicContact CD2-CG 4.47Å; Y335-E339 HydrophobicContact CE1-CG 4.26Å; Y335-E339 HydrophobicContact CE2-CG 3.91Å; Y335-E339 PolarHBondContact O-N 3.27Å; Y335-E403 PolarHBondContact N-OE2 3.47Å |
| 336 | I | 95 | Very high | 95.1 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 24% | 0.236 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.4 | -48.4 | -177.3 | -69.3 | 168.5 | 0 | 0 | 0 | 111.1 | Q332 S333 E339 K340 | Q332-I336 HydrophobicContact CB-CD1 4.04Å; Q332-I336 WeakPolarHBondContact O-CG1 3.34Å; Q332-I336 PolarHBondContact O-N 3.42Å; S333-I336 PolarHBondContact O-N 3.25Å; S333-I336 VanDerWaalsContact O-N 3.15Å; I336-E339 PolarHBondContact O-N 3.48Å; I336-K340 HydrophobicContact CG2-CD 4.48Å; I336-K340 WeakPolarHBondContact O-CG 3.35Å; I336-K340 PolarHBondContact O-N 3.18Å; I336-K340 VanDerWaalsContact O-N 3.07Å |
| 337 | H | 96.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -37.2 | -180 | -77.1 | -79.5 | 0 | 0 | 0 | 112.2 | Y287 S333 Y335 E339 K340 R341 E379 W382 | Y287-H337 AromaticContact CE1-CE1 3.64Å; Y287-H337 AromaticContact CE1-NE2 3.87Å; Y287-H337 AromaticContact CE2-CE1 3.69Å; Y287-H337 AromaticContact CE2-NE2 3.81Å; Y287-H337 AromaticContact CZ-CE1 3.29Å; Y287-H337 AromaticContact CZ-NE2 3.74Å; Y287-H337 PolarHBondContact OH-CE1 3.36Å; S333-H337 WeakPolarHBondContact O-CB 3.26Å; S333-H337 PolarHBondContact O-CD2 2.69Å; S333-H337 PolarHBondContact O-N 3.05Å; Y335-H337 PolarHBondContact O-N 3.2Å; H337-E339 VanDerWaalsContact C-N 3.31Å; H337-E339 PolarHBondContact O-N 3.06Å; H337-K340 PolarHBondContact O-N 3.37Å; H337-R341 WeakPolarHBondContact O-CG 3.18Å; H337-R341 PolarHBondContact O-N 3.33Å; H337-R341 PolarHBondContact O-NH1 2.88Å; H337-E379 WeakPolarHBondContact CA-OE2 3.35Å; H337-E379 WeakPolarHBondContact CB-OE2 3.35Å; H337-E379 IonicContact CE1-OE1 2.81Å; H337-E379 IonicContact CE1-OE2 3.52Å; H337-E379 IonicContact CG-OE2 3.29Å; H337-E379 VanDerWaalsContact ND1-CD 3.27Å; H337-E379 IonicContact ND1-OE1 3Å; H337-E379 PolarHBondContact ND1-OE1 3.44Å; H337-E379 IonicContact ND1-OE2 3.91Å; H337-E379 PolarHBondContact ND1-OE2 3.23Å; H337-W382 HydrophobicContact CB-CD2 4.02Å; H337-W382 HydrophobicContact CB-CE3 3.7Å; H337-W382 HydrophobicContact CB-CH2 3.98Å; H337-W382 HydrophobicContact CB-CZ2 4.23Å; H337-W382 HydrophobicContact CB-CZ3 3.69Å; H337-W382 AromaticContact CD2-CD2 3.76Å; H337-W382 AromaticContact CD2-CE2 3.24Å; H337-W382 AromaticContact CD2-CZ2 3.41Å; H337-W382 VanDerWaalsContact CD2-CZ2 3.41Å; H337-W382 WeakPolarHBondContact CD2-CZ2 3.37Å; H337-W382 AromaticContact CD2-NE1 3.44Å; H337-W382 PolarHBondContact CD2-NE1 3.48Å; H337-W382 AromaticContact CE1-CD1 3.33Å; H337-W382 AromaticContact CE1-CD2 3.85Å; H337-W382 AromaticContact CE1-CE2 3.81Å; H337-W382 AromaticContact CE1-CG 3.61Å; H337-W382 AromaticContact CE1-NE1 3.44Å; H337-W382 PolarHBondContact CE1-NE1 3.45Å; H337-W382 AromaticContact CG-CD2 3.55Å; H337-W382 AromaticContact CG-CE2 3.56Å; H337-W382 AromaticContact CG-CE3 3.79Å; H337-W382 AromaticContact CG-CZ2 3.86Å; H337-W382 AromaticContact CG-NE1 3.98Å; H337-W382 AromaticContact ND1-CD1 3.88Å; H337-W382 AromaticContact ND1-CD2 3.66Å; H337-W382 AromaticContact ND1-CE2 3.93Å; H337-W382 AromaticContact ND1-CG 3.69Å; H337-W382 AromaticContact ND1-NE1 4Å; H337-W382 AromaticContact NE2-CD1 3.53Å; H337-W382 AromaticContact NE2-CD2 3.99Å; H337-W382 AromaticContact NE2-CE2 3.47Å; H337-W382 AromaticContact NE2-NE1 3.11Å; H337-W382 PolarHBondContact NE2-NE1 3.24Å; H337-W382 VanDerWaalsContact NE2-NE1 3.11Å |
| 338 | S | 95.8 | Very high | 95.4 | Very high | 13 Ų | 13 | 36.9 Ų | 36.9 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 174.2 | 81.4 | 0 | 0 | 0 | 0 | 112.6 | G334 Y335 K342 | G334-S338 WeakPolarHBondContact O-CB 3.31Å; G334-S338 PolarHBondContact O-N 3.48Å; Y335-S338 PolarHBondContact O-N 3.15Å; Y335-S338 PolarHBondContact O-OG 3.05Å; S338-K342 WeakPolarHBondContact O-CG 3.39Å; S338-K342 PolarHBondContact O-N 3.3Å; S338-K342 VanDerWaalsContact O-N 3.16Å |
| 339 | E | 96.7 | Very high | 95.5 | Very high | 29 Ų | 29 | 39.5 Ų | 39.5 | 14% | 0.136 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.4 | -36.2 | 176.9 | -76.1 | -58.8 | 122.7 | 0 | 0 | 112.4 | A220 R224 Y335 I336 H337 K342 F343 | A220-E339 HydrophobicContact CB-CB 3.89Å; A220-E339 WeakPolarHBondContact CB-O 3.47Å; R224-E339 IonicContact CZ-OE2 3.89Å; R224-E339 IonicContact NH1-OE2 2.66Å; R224-E339 PolarHBondContact NH1-OE2 3.08Å; R224-E339 IonicContact NH2-OE2 3.38Å; R224-E339 PolarHBondContact NH2-OE2 3.15Å; Y335-E339 HydrophobicContact CD2-CG 4.47Å; Y335-E339 HydrophobicContact CE1-CG 4.26Å; Y335-E339 HydrophobicContact CE2-CG 3.91Å; Y335-E339 PolarHBondContact O-N 3.27Å; I336-E339 PolarHBondContact O-N 3.48Å; H337-E339 VanDerWaalsContact C-N 3.31Å; H337-E339 PolarHBondContact O-N 3.06Å; E339-K342 PolarHBondContact O-N 3.44Å; E339-K342 VanDerWaalsContact OE1-CD 3.32Å; E339-K342 WeakPolarHBondContact OE1-CD 3.45Å; E339-K342 WeakPolarHBondContact OE1-CE 3.35Å; E339-K342 IonicContact OE1-NZ 2.84Å; E339-K342 PolarHBondContact OE1-NZ 2.94Å; E339-F343 PolarHBondContact O-N 2.64Å |
| 340 | K | 97.4 | Very high | 95.7 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.6 | -46.7 | 173.1 | -74.2 | -177.8 | 173.9 | -178.8 | 0 | 111.5 | L218 A220 W223 I336 H337 K342 F343 L344 E379 | L218-K340 WeakPolarHBondContact O-CE 3.49Å; L218-K340 PolarHBondContact O-NZ 3.39Å; A220-K340 HydrophobicContact CB-CG 4.36Å; W223-K340 HydrophobicContact CE3-CG 4.32Å; W223-K340 HydrophobicContact CH2-CB 4.25Å; W223-K340 HydrophobicContact CH2-CD 3.77Å; W223-K340 HydrophobicContact CH2-CG 3.85Å; W223-K340 HydrophobicContact CZ2-CD 4.38Å; W223-K340 HydrophobicContact CZ3-CB 3.85Å; W223-K340 HydrophobicContact CZ3-CD 4.12Å; W223-K340 HydrophobicContact CZ3-CG 3.65Å; I336-K340 HydrophobicContact CG2-CD 4.48Å; I336-K340 WeakPolarHBondContact O-CG 3.35Å; I336-K340 PolarHBondContact O-N 3.18Å; I336-K340 VanDerWaalsContact O-N 3.07Å; H337-K340 PolarHBondContact O-N 3.37Å; K340-K342 VanDerWaalsContact C-N 3.34Å; K340-K342 PolarHBondContact O-N 3.18Å; K340-F343 PolarHBondContact O-N 2.91Å; K340-L344 WeakPolarHBondContact O-CB 3.48Å; K340-L344 VanDerWaalsContact O-CG 3.27Å; K340-L344 WeakPolarHBondContact O-CG 3.38Å; K340-L344 PolarHBondContact O-N 3.18Å; K340-E379 HydrophobicContact CB-CG 4.05Å; K340-E379 WeakPolarHBondContact CD-OE1 3.47Å |
| 341 | R | 97.7 | Very high | 96 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.7 | -42.4 | 175 | -69.3 | -169.6 | -54.1 | -87.3 | 7.1 | 112.5 | H337 L344 R345 E379 E403 D406 L412 | H337-R341 WeakPolarHBondContact O-CG 3.18Å; H337-R341 PolarHBondContact O-N 3.33Å; H337-R341 PolarHBondContact O-NH1 2.88Å; R341-L344 PolarHBondContact O-N 3.07Å; R341-R345 WeakPolarHBondContact O-CG 3.3Å; R341-R345 PolarHBondContact O-N 3.25Å; R341-E379 HydrophobicContact CG-CB 3.8Å; R341-E379 HydrophobicContact CG-CG 4.35Å; R341-E403 PolarHBondContact NH2-O 3.19Å; R341-D406 IonicContact NE-OD2 3.02Å; R341-D406 PolarHBondContact NE-OD2 2.97Å; R341-L412 HydrophobicContact CB-CD2 4.29Å; R341-L412 HydrophobicContact CG-CD2 4.24Å |
| 342 | K | 97.2 | Very high | 96.3 | Very high | 90 Ų | 90 | 33.9 Ų | 33.9 | 39% | 0.391 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -60.4 | -45.1 | 175.4 | -71.5 | 172 | -165.7 | 170.6 | 0 | 112.3 | S338 E339 K340 | S338-K342 WeakPolarHBondContact O-CG 3.39Å; S338-K342 PolarHBondContact O-N 3.3Å; S338-K342 VanDerWaalsContact O-N 3.16Å; E339-K342 PolarHBondContact O-N 3.44Å; E339-K342 VanDerWaalsContact OE1-CD 3.32Å; E339-K342 WeakPolarHBondContact OE1-CD 3.45Å; E339-K342 WeakPolarHBondContact OE1-CE 3.35Å; E339-K342 IonicContact OE1-NZ 2.84Å; E339-K342 PolarHBondContact OE1-NZ 2.94Å; K340-K342 VanDerWaalsContact C-N 3.34Å; K340-K342 PolarHBondContact O-N 3.18Å |
| 343 | F | 98.1 | Very high | 96.6 | Very high | 22 Ų | 22 | 34.1 Ų | 34.1 | 10% | 0.096 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.1 | -49.3 | 176.5 | 174.4 | -91.4 | 0 | 0 | 0 | 111.6 | A220 W223 R224 M228 L229 E339 K340 R345 T346 A347 | A220-F343 HydrophobicContact CB-CB 4.17Å; W223-F343 HydrophobicContact CB-CD1 4.33Å; W223-F343 HydrophobicContact CB-CD2 4.41Å; W223-F343 HydrophobicContact CB-CE1 3.87Å; W223-F343 HydrophobicContact CB-CE2 3.96Å; W223-F343 HydrophobicContact CB-CZ 3.66Å; W223-F343 HydrophobicContact CD2-CD1 4.32Å; W223-F343 HydrophobicContact CD2-CE1 4.28Å; W223-F343 AromaticContact CE3-CD1 3.41Å; W223-F343 HydrophobicContact CE3-CD1 3.41Å; W223-F343 VanDerWaalsContact CE3-CD1 3.41Å; W223-F343 AromaticContact CE3-CE1 3.76Å; W223-F343 HydrophobicContact CE3-CE1 3.76Å; W223-F343 HydrophobicContact CE3-CG 4.06Å; W223-F343 HydrophobicContact CG-CE1 4.39Å; W223-F343 HydrophobicContact CZ3-CD1 4.04Å; R224-F343 HydrophobicContact CB-CE2 4.48Å; R224-F343 HydrophobicContact CG-CD2 3.52Å; R224-F343 HydrophobicContact CG-CE2 3.72Å; M228-F343 HydrophobicContact CB-CZ 4.3Å; M228-F343 WeakPolarHBondContact O-CZ 3.45Å; L229-F343 HydrophobicContact CD1-CE1 4.18Å; E339-F343 PolarHBondContact O-N 2.64Å; K340-F343 PolarHBondContact O-N 2.91Å; F343-R345 VanDerWaalsContact C-N 3.32Å; F343-R345 PolarHBondContact O-N 2.76Å; F343-T346 PolarHBondContact O-N 3.2Å; F343-A347 HydrophobicContact CE1-CB 4.34Å; F343-A347 PolarHBondContact O-N 3.44Å |
| 344 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | -176.7 | -70.8 | 166.8 | 0 | 0 | 0 | 112.2 | W223 L229 K340 R341 T346 A347 L348 F375 E379 L412 | W223-L344 HydrophobicContact CZ3-CD1 4.25Å; W223-L344 HydrophobicContact CZ3-CD2 4.24Å; W223-L344 HydrophobicContact CZ3-CG 4.08Å; L229-L344 HydrophobicContact CD1-CD2 3.8Å; K340-L344 WeakPolarHBondContact O-CB 3.48Å; K340-L344 VanDerWaalsContact O-CG 3.27Å; K340-L344 WeakPolarHBondContact O-CG 3.38Å; K340-L344 PolarHBondContact O-N 3.18Å; R341-L344 PolarHBondContact O-N 3.07Å; L344-T346 VanDerWaalsContact C-N 3.35Å; L344-T346 PolarHBondContact O-N 2.66Å; L344-A347 PolarHBondContact O-N 3.42Å; L344-L348 HydrophobicContact CB-CD1 4.31Å; L344-L348 HydrophobicContact CD2-CD1 4.38Å; L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 WeakPolarHBondContact O-CD1 3.46Å; L344-L348 PolarHBondContact O-N 3.29Å; L344-F375 HydrophobicContact CD1-CB 4.08Å; L344-F375 HydrophobicContact CD2-CB 3.71Å; L344-F375 HydrophobicContact CD2-CD2 4.24Å; L344-E379 HydrophobicContact CD1-CB 4.3Å; L344-E379 HydrophobicContact CD1-CG 3.68Å; L344-L412 HydrophobicContact CB-CD1 4.03Å |
| 345 | R | 97.9 | Very high | 97 | Very high | 35 Ų | 35 | 36 Ų | 36 | 13% | 0.132 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.8 | -49.4 | 174.4 | -81.3 | -167.2 | -57.6 | -122.1 | 7.2 | 112.7 | R341 F343 K349 D406 M408 L412 | R341-R345 WeakPolarHBondContact O-CG 3.3Å; R341-R345 PolarHBondContact O-N 3.25Å; F343-R345 VanDerWaalsContact C-N 3.32Å; F343-R345 PolarHBondContact O-N 2.76Å; R345-K349 VanDerWaalsContact O-CB 3.31Å; R345-K349 WeakPolarHBondContact O-CB 3.23Å; R345-K349 PolarHBondContact O-N 2.9Å; R345-K349 VanDerWaalsContact O-N 3.1Å; R345-D406 IonicContact CZ-OD1 2.72Å; R345-D406 IonicContact NH1-OD1 2.66Å; R345-D406 PolarHBondContact NH1-OD1 3.34Å; R345-D406 IonicContact NH1-OD2 2.75Å; R345-D406 PolarHBondContact NH1-OD2 3.33Å; R345-M408 WeakPolarHBondContact CD-O 3.44Å; R345-M408 PolarHBondContact NH1-O 3.32Å; R345-L412 HydrophobicContact CB-CD1 4.34Å; R345-L412 HydrophobicContact CG-CB 3.58Å; R345-L412 HydrophobicContact CG-CD1 3.63Å; R345-L412 HydrophobicContact CG-CG 4.08Å |
| 346 | T | 97.1 | Very high | 97.1 | Very high | 98 Ų | 98 | 32.4 Ų | 32.4 | 60% | 0.601 | 17% | 0.167 | S | C | * | . | H | α-helix | trans | -66.1 | -43 | 179.9 | -54.9 | 0 | 0 | 0 | 0 | 110.9 | F343 L344 K349 E350 | F343-T346 PolarHBondContact O-N 3.2Å; L344-T346 VanDerWaalsContact C-N 3.35Å; L344-T346 PolarHBondContact O-N 2.66Å; T346-K349 PolarHBondContact O-N 2.63Å; T346-E350 PolarHBondContact O-N 3.18Å |
| 347 | A | 97.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 35.8 Ų | 35.8 | 7% | 0.066 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.6 | -47.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L229 F343 L344 K349 E350 L351 | L229-A347 HydrophobicContact CB-CB 3.92Å; L229-A347 HydrophobicContact CD1-CB 4.27Å; F343-A347 HydrophobicContact CE1-CB 4.34Å; F343-A347 PolarHBondContact O-N 3.44Å; L344-A347 PolarHBondContact O-N 3.42Å; A347-K349 VanDerWaalsContact C-N 3.33Å; A347-K349 PolarHBondContact O-N 2.9Å; A347-E350 PolarHBondContact O-N 2.96Å; A347-L351 WeakPolarHBondContact O-CB 3.34Å; A347-L351 VanDerWaalsContact O-CG 3.31Å; A347-L351 WeakPolarHBondContact O-CG 3.27Å; A347-L351 PolarHBondContact O-N 3.22Å |
| 348 | L | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 179.1 | -92.2 | 69.3 | 0 | 0 | 0 | 111.6 | L344 L351 F352 A372 T376 L412 M416 | L344-L348 HydrophobicContact CB-CD1 4.31Å; L344-L348 HydrophobicContact CD2-CD1 4.38Å; L344-L348 WeakPolarHBondContact O-CB 3.42Å; L344-L348 WeakPolarHBondContact O-CD1 3.46Å; L344-L348 PolarHBondContact O-N 3.29Å; L348-L351 PolarHBondContact O-N 2.89Å; L348-F352 VanDerWaalsContact O-CB 3.28Å; L348-F352 WeakPolarHBondContact O-CB 3.32Å; L348-F352 PolarHBondContact O-N 2.85Å; L348-A372 HydrophobicContact CD1-CB 3.91Å; L348-T376 WeakPolarHBondContact CD1-OG1 3.33Å; L348-T376 HydrophobicContact CD2-CG2 3.91Å; L348-T376 WeakPolarHBondContact CD2-OG1 3.36Å; L348-L412 HydrophobicContact CD2-CD1 4.2Å; L348-M416 HydrophobicContact CD2-CB 3.94Å |
| 349 | K | 98 | Very high | 97.1 | Very high | 81 Ų | 81 | 41.5 Ų | 41.5 | 35% | 0.352 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 174.7 | -179.3 | 171.3 | -171.1 | 167.5 | 0 | 111.9 | R345 T346 A347 F352 L353 E411 Y415 | R345-K349 VanDerWaalsContact O-CB 3.31Å; R345-K349 WeakPolarHBondContact O-CB 3.23Å; R345-K349 PolarHBondContact O-N 2.9Å; R345-K349 VanDerWaalsContact O-N 3.1Å; T346-K349 PolarHBondContact O-N 2.63Å; A347-K349 VanDerWaalsContact C-N 3.33Å; A347-K349 PolarHBondContact O-N 2.9Å; K349-F352 PolarHBondContact O-N 2.8Å; K349-L353 HydrophobicContact CG-CD1 3.92Å; K349-L353 HydrophobicContact CG-CG 4.47Å; K349-L353 WeakPolarHBondContact O-CB 3.44Å; K349-L353 VanDerWaalsContact O-CG 3.23Å; K349-L353 WeakPolarHBondContact O-CG 3.29Å; K349-L353 PolarHBondContact O-N 3.12Å; K349-E411 IonicContact NZ-OE1 3.42Å; K349-E411 PolarHBondContact NZ-OE1 3.14Å; K349-Y415 HydrophobicContact CB-CD2 3.9Å; K349-Y415 HydrophobicContact CB-CE1 4.3Å; K349-Y415 HydrophobicContact CB-CE2 3.63Å; K349-Y415 HydrophobicContact CB-CG 4.35Å; K349-Y415 HydrophobicContact CD-CE2 3.86Å; K349-Y415 VanDerWaalsContact CE-OH 3.31Å; K349-Y415 WeakPolarHBondContact CE-OH 3.5Å; K349-Y415 HydrophobicContact CG-CD2 4.48Å; K349-Y415 HydrophobicContact CG-CE1 4.08Å; K349-Y415 HydrophobicContact CG-CE2 3.76Å |
| 350 | E | 96.8 | Very high | 97 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 177 | -178.1 | -174.8 | 120.9 | 0 | 0 | 111.3 | T230 L231 V232 T346 A347 F352 L353 I354 | T230-E350 WeakPolarHBondContact CA-OE1 3.45Å; T230-E350 VanDerWaalsContact CB-OE1 3.29Å; T230-E350 WeakPolarHBondContact CB-OE1 3.39Å; T230-E350 PolarHBondContact OG1-OE1 2.84Å; T230-E350 PolarHBondContact OG1-OE2 3.44Å; L231-E350 PolarHBondContact N-OE1 3.18Å; V232-E350 WeakPolarHBondContact CG2-OE2 3.36Å; V232-E350 PolarHBondContact N-OE1 2.95Å; T346-E350 PolarHBondContact O-N 3.18Å; A347-E350 PolarHBondContact O-N 2.96Å; E350-F352 PolarHBondContact O-N 3.04Å; E350-L353 PolarHBondContact O-N 3.26Å; E350-I354 HydrophobicContact CG-CD1 3.74Å; E350-I354 WeakPolarHBondContact O-CG1 3.39Å; E350-I354 PolarHBondContact O-N 3.46Å; E350-I354 VanDerWaalsContact O-N 3.1Å |
| 351 | L | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.9 | -49.3 | 178.6 | -71.5 | 174.3 | 0 | 0 | 0 | 111.3 | L231 A347 L348 I354 L355 L368 A372 L419 | L231-L351 HydrophobicContact CD1-CD2 3.77Å; L231-L351 HydrophobicContact CG-CD2 3.75Å; A347-L351 WeakPolarHBondContact O-CB 3.34Å; A347-L351 VanDerWaalsContact O-CG 3.31Å; A347-L351 WeakPolarHBondContact O-CG 3.27Å; A347-L351 PolarHBondContact O-N 3.22Å; L348-L351 PolarHBondContact O-N 2.89Å; L351-I354 PolarHBondContact O-N 3Å; L351-L355 HydrophobicContact CB-CD1 4.27Å; L351-L355 WeakPolarHBondContact O-CB 3.36Å; L351-L355 WeakPolarHBondContact O-CD1 3.38Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.28Å; L351-L368 HydrophobicContact CD2-CD2 3.74Å; L351-L368 HydrophobicContact CD2-CG 4.31Å; L351-A372 HydrophobicContact CD1-CB 3.62Å; L351-L419 HydrophobicContact CB-CD2 4.28Å; L351-L419 HydrophobicContact CD1-CD2 4.43Å |
| 352 | F | 98 | Very high | 96.8 | Very high | 25 Ų | 25 | 43.7 Ų | 43.7 | 11% | 0.11 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.7 | -50.1 | 179.5 | 172.5 | -105.6 | 0 | 0 | 0 | 111.9 | L348 K349 E350 I354 L355 A356 Y415 E418 | L348-F352 VanDerWaalsContact O-CB 3.28Å; L348-F352 WeakPolarHBondContact O-CB 3.32Å; L348-F352 PolarHBondContact O-N 2.85Å; K349-F352 PolarHBondContact O-N 2.8Å; E350-F352 PolarHBondContact O-N 3.04Å; F352-I354 VanDerWaalsContact C-N 3.34Å; F352-I354 PolarHBondContact O-N 3.18Å; F352-L355 PolarHBondContact O-N 3.26Å; F352-A356 HydrophobicContact CE2-CB 4.22Å; F352-A356 HydrophobicContact CZ-CB 4.39Å; F352-A356 WeakPolarHBondContact O-CB 3.25Å; F352-A356 PolarHBondContact O-N 3.23Å; F352-Y415 HydrophobicContact CB-CD1 3.96Å; F352-Y415 AromaticContact CD1-CD1 3.66Å; F352-Y415 HydrophobicContact CD1-CD1 3.66Å; F352-Y415 AromaticContact CD1-CE1 3.7Å; F352-Y415 HydrophobicContact CD1-CE1 3.7Å; F352-Y415 HydrophobicContact CE1-CD1 4.42Å; F352-Y415 HydrophobicContact CE1-CE1 4.28Å; F352-Y415 AromaticContact CG-CD1 3.94Å; F352-Y415 HydrophobicContact CG-CD1 3.94Å; F352-Y415 HydrophobicContact CG-CE1 4.43Å; F352-E418 HydrophobicContact CD2-CB 3.82Å; F352-E418 HydrophobicContact CE2-CB 3.56Å; F352-E418 HydrophobicContact CE2-CG 4.26Å; F352-E418 HydrophobicContact CZ-CB 4.07Å; F352-E418 HydrophobicContact CZ-CG 4.31Å |
| 353 | L | 97.3 | Very high | 96.7 | Very high | 98 Ų | 98 | 39.5 Ų | 39.5 | 51% | 0.513 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.1 | -41.7 | -177.2 | -70.3 | 173.1 | 0 | 0 | 0 | 112.3 | K349 E350 D357 | K349-L353 HydrophobicContact CG-CD1 3.92Å; K349-L353 HydrophobicContact CG-CG 4.47Å; K349-L353 WeakPolarHBondContact O-CB 3.44Å; K349-L353 VanDerWaalsContact O-CG 3.23Å; K349-L353 WeakPolarHBondContact O-CG 3.29Å; K349-L353 PolarHBondContact O-N 3.12Å; E350-L353 PolarHBondContact O-N 3.26Å; L353-D357 PolarHBondContact O-N 2.79Å |
| 354 | I | 95.7 | Very high | 96.5 | Very high | 44 Ų | 44 | 39 Ų | 39 | 23% | 0.226 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -72.9 | -45.2 | -179.9 | -65.1 | 169.9 | 0 | 0 | 0 | 111.2 | L231 V232 E350 L351 F352 D357 Q358 L361 | L231-I354 HydrophobicContact CB-CD1 3.91Å; L231-I354 HydrophobicContact CD1-CB 4.25Å; L231-I354 HydrophobicContact CD1-CD1 4.42Å; L231-I354 HydrophobicContact CD1-CG2 3.88Å; V232-I354 HydrophobicContact CG1-CD1 3.65Å; E350-I354 HydrophobicContact CG-CD1 3.74Å; E350-I354 WeakPolarHBondContact O-CG1 3.39Å; E350-I354 PolarHBondContact O-N 3.46Å; E350-I354 VanDerWaalsContact O-N 3.1Å; L351-I354 PolarHBondContact O-N 3Å; F352-I354 VanDerWaalsContact C-N 3.34Å; F352-I354 PolarHBondContact O-N 3.18Å; I354-D357 PolarHBondContact O-N 3.49Å; I354-Q358 PolarHBondContact O-N 2.89Å; I354-L361 HydrophobicContact CG2-CD1 4.21Å |
| 355 | L | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -74.5 | -29.3 | -175.5 | -65.1 | 169.6 | 0 | 0 | 0 | 112.3 | L231 L351 F352 Q358 P359 L361 L362 V369 L419 L422 | L231-L355 HydrophobicContact CD1-CD2 4.2Å; L231-L355 HydrophobicContact CD1-CG 4.26Å; L351-L355 HydrophobicContact CB-CD1 4.27Å; L351-L355 WeakPolarHBondContact O-CB 3.36Å; L351-L355 WeakPolarHBondContact O-CD1 3.38Å; L351-L355 WeakPolarHBondContact O-CG 3.4Å; L351-L355 PolarHBondContact O-N 3.28Å; F352-L355 PolarHBondContact O-N 3.26Å; L355-Q358 CarbonylContact O-C 3.46Å; L355-Q358 VanDerWaalsContact O-C 3.28Å; L355-P359 VanDerWaalsContact O-CA 3.29Å; L355-P359 WeakPolarHBondContact O-CA 3.34Å; L355-L361 HydrophobicContact CD2-CB 3.69Å; L355-L362 HydrophobicContact CB-CD2 3.9Å; L355-L362 HydrophobicContact CB-CG 4.44Å; L355-L362 HydrophobicContact CD1-CD2 4Å; L355-L362 HydrophobicContact CD2-CD2 4.22Å; L355-L362 HydrophobicContact CD2-CG 4.44Å; L355-L362 HydrophobicContact CG-CD2 4.26Å; L355-V369 HydrophobicContact CD1-CG2 3.54Å; L355-L419 HydrophobicContact CD1-CD1 3.85Å; L355-L422 HydrophobicContact CB-CD2 3.67Å |
| 356 | A | 96.7 | Very high | 96.2 | Very high | 39 Ų | 39 | 38 Ų | 38 | 32% | 0.322 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.1 | -37.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | F352 L422 | F352-A356 HydrophobicContact CE2-CB 4.22Å; F352-A356 HydrophobicContact CZ-CB 4.39Å; F352-A356 WeakPolarHBondContact O-CB 3.25Å; F352-A356 PolarHBondContact O-N 3.23Å; A356-L422 HydrophobicContact CB-CD1 4.33Å; A356-L422 HydrophobicContact CB-CD2 4.24Å |
| 357 | D | 96.7 | Very high | 96.2 | Very high | 117 Ų | 117 | 33.7 Ų | 33.7 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -73.5 | -40.5 | 174.3 | -173.3 | 68.5 | 0 | 0 | 0 | 112.1 | L353 I354 P359 | L353-D357 PolarHBondContact O-N 2.79Å; I354-D357 PolarHBondContact O-N 3.49Å; D357-P359 VanDerWaalsContact O-CD 3.31Å; D357-P359 WeakPolarHBondContact O-CD 3.45Å |
| 358 | Q | 95 | Very high | 96.1 | Very high | 105 Ų | 105 | 33.9 Ų | 33.9 | 49% | 0.491 | 19% | 0.19 | S | C | . | . | trans | -121 | 72.9 | -177.7 | -59.8 | -57.7 | -40.8 | 0 | 0 | 112.2 | I354 L355 G360 L361 | I354-Q358 PolarHBondContact O-N 2.89Å; L355-Q358 CarbonylContact O-C 3.46Å; L355-Q358 VanDerWaalsContact O-C 3.28Å; Q358-G360 PolarHBondContact O-N 3.49Å; Q358-L361 HydrophobicContact CB-CD1 3.89Å; Q358-L361 HydrophobicContact CB-CG 4.17Å; Q358-L361 WeakPolarHBondContact O-CB 3.39Å; Q358-L361 PolarHBondContact O-N 2.51Å | ||
| 359 | P | 95.4 | Very high | 96 | Very high | 30 Ų | 30 | 33.9 Ų | 33.9 | 20% | 0.195 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -62.4 | -20.2 | -176 | 23.8 | -34.3 | 0 | 0 | 0 | 113.8 | L355 D357 L361 L362 Y426 | L355-P359 VanDerWaalsContact O-CA 3.29Å; L355-P359 WeakPolarHBondContact O-CA 3.34Å; D357-P359 VanDerWaalsContact O-CD 3.31Å; D357-P359 WeakPolarHBondContact O-CD 3.45Å; P359-L361 PolarHBondContact O-N 3.03Å; P359-L362 HydrophobicContact CB-CD1 4.05Å; P359-L362 VanDerWaalsContact O-CB 3.3Å; P359-L362 WeakPolarHBondContact O-CB 3.41Å; P359-L362 WeakPolarHBondContact O-CD1 3.36Å; P359-L362 WeakPolarHBondContact O-CG 3.35Å; P359-L362 PolarHBondContact O-N 2.59Å; P359-L362 VanDerWaalsContact O-N 3.1Å; P359-Y426 HydrophobicContact CB-CD1 4.05Å; P359-Y426 HydrophobicContact CB-CD2 3.8Å; P359-Y426 HydrophobicContact CB-CE1 4.11Å; P359-Y426 HydrophobicContact CB-CE2 3.84Å; P359-Y426 HydrophobicContact CB-CG 3.9Å; P359-Y426 HydrophobicContact CG-CE1 4.24Å; P359-Y426 HydrophobicContact CG-CE2 4.41Å |
| 360 | G | 94 | Very high | 96 | Very high | 53 Ų | 53 | 30 Ų | 30 | 55% | 0.546 | 17% | 0.173 | S | C | . | . | G | 310 helix | trans | -61.1 | -20.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q358 | Q358-G360 PolarHBondContact O-N 3.49Š|
| 361 | L | 94.9 | Very high | 96 | Very high | 29 Ų | 29 | 29 Ų | 29 | 15% | 0.152 | 17% | 0.169 | C | C | . | . | G | 310 helix | trans | -80.4 | -14.3 | 176.4 | -65.9 | 177.2 | 0 | 0 | 0 | 113.4 | V238 I354 L355 Q358 P359 A363 P364 K365 | V238-L361 HydrophobicContact CG1-CD1 3.87Å; V238-L361 HydrophobicContact CG1-CD2 4.19Å; I354-L361 HydrophobicContact CG2-CD1 4.21Å; L355-L361 HydrophobicContact CD2-CB 3.69Å; Q358-L361 HydrophobicContact CB-CD1 3.89Å; Q358-L361 HydrophobicContact CB-CG 4.17Å; Q358-L361 WeakPolarHBondContact O-CB 3.39Å; Q358-L361 PolarHBondContact O-N 2.51Å; P359-L361 PolarHBondContact O-N 3.03Å; L361-A363 VanDerWaalsContact C-N 3.31Å; L361-A363 PolarHBondContact O-N 3.43Å; L361-P364 WeakPolarHBondContact O-CD 3.27Å; L361-P364 WeakPolarHBondContact O-CG 3.43Å; L361-K365 VanDerWaalsContact O-CB 3.29Å; L361-K365 WeakPolarHBondContact O-CB 3.42Å; L361-K365 PolarHBondContact O-N 3.31Å; L361-K365 VanDerWaalsContact O-N 3.09Å |
| 362 | L | 95.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -44 | -176.9 | -74.2 | 165.2 | 0 | 0 | 0 | 112.1 | L355 P359 K365 I366 L422 L423 Y426 V430 | L355-L362 HydrophobicContact CB-CD2 3.9Å; L355-L362 HydrophobicContact CB-CG 4.44Å; L355-L362 HydrophobicContact CD1-CD2 4Å; L355-L362 HydrophobicContact CD2-CD2 4.22Å; L355-L362 HydrophobicContact CD2-CG 4.44Å; L355-L362 HydrophobicContact CG-CD2 4.26Å; P359-L362 HydrophobicContact CB-CD1 4.05Å; P359-L362 VanDerWaalsContact O-CB 3.3Å; P359-L362 WeakPolarHBondContact O-CB 3.41Å; P359-L362 WeakPolarHBondContact O-CD1 3.36Å; P359-L362 WeakPolarHBondContact O-CG 3.35Å; P359-L362 PolarHBondContact O-N 2.59Å; P359-L362 VanDerWaalsContact O-N 3.1Å; L362-K365 CarbonylContact O-C 3.55Å; L362-I366 VanDerWaalsContact O-CA 3.27Å; L362-I366 WeakPolarHBondContact O-CA 3.48Å; L362-I366 VanDerWaalsContact O-CB 3.3Å; L362-I366 WeakPolarHBondContact O-CB 3.42Å; L362-I366 PolarHBondContact O-N 3.04Å; L362-L422 HydrophobicContact CD1-CG 4.1Å; L362-L422 HydrophobicContact CD2-CD2 3.99Å; L362-L422 HydrophobicContact CD2-CG 4.21Å; L362-L423 HydrophobicContact CB-CD2 4.33Å; L362-L423 HydrophobicContact CD2-CD2 3.88Å; L362-L423 HydrophobicContact CD2-CG 4.38Å; L362-Y426 HydrophobicContact CD1-CD2 3.91Å; L362-Y426 HydrophobicContact CD1-CG 4.12Å; L362-V430 HydrophobicContact CB-CG2 4.28Å |
| 363 | A | 94.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -56.4 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L361 K365 I366 V430 Y433 | L361-A363 VanDerWaalsContact C-N 3.31Å; L361-A363 PolarHBondContact O-N 3.43Å; A363-K365 PolarHBondContact O-N 3.29Å; A363-I366 WeakPolarHBondContact O-CB 3.37Å; A363-I366 VanDerWaalsContact O-CG2 3.23Å; A363-I366 WeakPolarHBondContact O-CG2 3.33Å; A363-I366 PolarHBondContact O-N 3.04Å; A363-V430 HydrophobicContact CB-CB 4.48Å; A363-V430 HydrophobicContact CB-CG2 4.37Å; A363-Y433 HydrophobicContact CB-CD1 3.57Å; A363-Y433 HydrophobicContact CB-CD2 4.17Å; A363-Y433 HydrophobicContact CB-CE1 4.41Å; A363-Y433 HydrophobicContact CB-CG 3.44Å; A363-Y433 VanDerWaalsContact CB-CG 3.44Å |
| 364 | P | 94 | Very high | 96.1 | Very high | 13 Ų | 13 | 23.2 Ų | 23.2 | 8% | 0.084 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.6 | 178.5 | 25.2 | -35.3 | 0 | 0 | 0 | 113.6 | V241 L361 Y433 | V241-P364 HydrophobicContact CG2-CB 4.32Å; L361-P364 WeakPolarHBondContact O-CD 3.27Å; L361-P364 WeakPolarHBondContact O-CG 3.43Å; P364-Y433 HydrophobicContact CB-CE2 4.42Å |
| 365 | K | 95.2 | Very high | 96.3 | Very high | 9 Ų | 9 | 21.6 Ų | 21.6 | 4% | 0.039 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 9.9 | 179.7 | -58.9 | -58.5 | -174.4 | -177.9 | 0 | 114.2 | L231 Q237 V238 Y240 N242 L361 L362 A363 L367 L368 V369 | L231-K365 HydrophobicContact CD2-CB 4.46Å; L231-K365 HydrophobicContact CD2-CD 3.85Å; L231-K365 HydrophobicContact CD2-CG 3.85Å; Q237-K365 PolarHBondContact O-NZ 3.01Å; V238-K365 WeakPolarHBondContact O-CE 3.46Å; Y240-K365 WeakPolarHBondContact O-CE 3.42Å; Y240-K365 PolarHBondContact O-NZ 3.08Å; N242-K365 PolarHBondContact OD1-NZ 2.79Å; L361-K365 VanDerWaalsContact O-CB 3.29Å; L361-K365 WeakPolarHBondContact O-CB 3.42Å; L361-K365 PolarHBondContact O-N 3.31Å; L361-K365 VanDerWaalsContact O-N 3.09Å; L362-K365 CarbonylContact O-C 3.55Å; A363-K365 PolarHBondContact O-N 3.29Å; K365-L367 PolarHBondContact O-N 3.1Å; K365-L368 WeakPolarHBondContact O-CA 3.41Å; K365-L368 VanDerWaalsContact O-CB 3.24Å; K365-L368 WeakPolarHBondContact O-CB 3.47Å; K365-L368 PolarHBondContact O-N 2.93Å; K365-V369 PolarHBondContact O-N 2.89Å |
| 366 | I | 96 | Very high | 96.3 | Very high | 3 Ų | 3 | 21.6 Ų | 21.6 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59 | -36.2 | -174.6 | -166.6 | 153.2 | 0 | 0 | 0 | 112.7 | L362 A363 L368 V369 L370 L423 V430 F526 M530 L534 | L362-I366 VanDerWaalsContact O-CA 3.27Å; L362-I366 WeakPolarHBondContact O-CA 3.48Å; L362-I366 VanDerWaalsContact O-CB 3.3Å; L362-I366 WeakPolarHBondContact O-CB 3.42Å; L362-I366 PolarHBondContact O-N 3.04Å; A363-I366 WeakPolarHBondContact O-CB 3.37Å; A363-I366 VanDerWaalsContact O-CG2 3.23Å; A363-I366 WeakPolarHBondContact O-CG2 3.33Å; A363-I366 PolarHBondContact O-N 3.04Å; I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 3.44Å; I366-V369 WeakPolarHBondContact O-CB 3.32Å; I366-V369 PolarHBondContact O-N 2.93Å; I366-V369 VanDerWaalsContact O-N 3.13Å; I366-L370 HydrophobicContact CG1-CD1 4.18Å; I366-L370 HydrophobicContact CG1-CG 4.23Å; I366-L370 VanDerWaalsContact O-CG 3.32Å; I366-L370 WeakPolarHBondContact O-CG 3.33Å; I366-L370 PolarHBondContact O-N 3.08Å; I366-L423 HydrophobicContact CD1-CD2 3.98Å; I366-L423 HydrophobicContact CG1-CD2 4.16Å; I366-V430 HydrophobicContact CD1-CG1 3.48Å; I366-V430 VanDerWaalsContact CD1-CG1 3.48Å; I366-V430 HydrophobicContact CD1-CG2 4.2Å; I366-F526 HydrophobicContact CG2-CE1 4.16Å; I366-F526 HydrophobicContact CG2-CZ 3.92Å; I366-M530 HydrophobicContact CD1-CG 4.28Å; I366-M530 HydrophobicContact CD1-SD 3.32Å; I366-M530 WeakPolarHBondContact CD1-SD 3.3Å; I366-M530 HydrophobicContact CG1-SD 3.79Å; I366-M530 HydrophobicContact CG2-CG 4.32Å; I366-M530 HydrophobicContact CG2-SD 4.04Å; I366-L534 HydrophobicContact CD1-CD1 3.78Å |
| 367 | L | 95.9 | Very high | 96.4 | Very high | 8 Ų | 8 | 21.2 Ų | 21.2 | 4% | 0.042 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -57.8 | -42.3 | 175 | -177.6 | 57.9 | 0 | 0 | 0 | 111.8 | N242 I247 E250 Y251 K365 V369 L370 M371 F526 | N242-L367 HydrophobicContact CB-CB 4.46Å; N242-L367 HydrophobicContact CB-CD2 4.26Å; I247-L367 HydrophobicContact CG1-CD2 4.09Å; I247-L367 HydrophobicContact CG2-CD1 3.93Å; I247-L367 HydrophobicContact CG2-CD2 4.47Å; E250-L367 HydrophobicContact CB-CD1 4.08Å; Y251-L367 HydrophobicContact CD1-CD1 3.97Å; Y251-L367 HydrophobicContact CE1-CD1 4.45Å; K365-L367 PolarHBondContact O-N 3.1Å; L367-V369 VanDerWaalsContact C-N 3.32Å; L367-V369 PolarHBondContact O-N 3.46Å; L367-L370 PolarHBondContact O-N 3.36Å; L367-M371 HydrophobicContact CG-SD 4.02Å; L367-M371 WeakPolarHBondContact O-CB 3.48Å; L367-M371 WeakPolarHBondContact O-CG 3.47Å; L367-M371 PolarHBondContact O-N 3.36Å; L367-F526 HydrophobicContact CB-CZ 4.32Å; L367-F526 HydrophobicContact CD1-CZ 4.3Å |
| 368 | L | 95 | Very high | 96.5 | Very high | 13 Ų | 13 | 15.9 Ų | 15.9 | 7% | 0.068 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -64.1 | -40.2 | 177.8 | -159.3 | 63.8 | 0 | 0 | 0 | 111.6 | L229 L231 N242 L351 K365 I366 M371 A372 | L229-L368 HydrophobicContact CD2-CD1 3.75Å; L229-L368 HydrophobicContact CD2-CG 4.24Å; L231-L368 HydrophobicContact CD2-CD2 3.65Å; L231-L368 HydrophobicContact CG-CD2 4.14Å; N242-L368 WeakPolarHBondContact ND2-CB 3.33Å; L351-L368 HydrophobicContact CD2-CD2 3.74Å; L351-L368 HydrophobicContact CD2-CG 4.31Å; K365-L368 WeakPolarHBondContact O-CA 3.41Å; K365-L368 VanDerWaalsContact O-CB 3.24Å; K365-L368 WeakPolarHBondContact O-CB 3.47Å; K365-L368 PolarHBondContact O-N 2.93Å; I366-L368 VanDerWaalsContact C-N 3.28Å; I366-L368 PolarHBondContact O-N 3.44Å; L368-M371 HydrophobicContact CD1-SD 4.41Å; L368-M371 WeakPolarHBondContact O-CB 3.34Å; L368-M371 PolarHBondContact O-N 3.33Å; L368-A372 WeakPolarHBondContact O-CB 3.11Å; L368-A372 PolarHBondContact O-N 2.92Å |
| 369 | V | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.8 | -47.2 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | L355 K365 I366 L367 M371 A372 L373 L419 L423 | L355-V369 HydrophobicContact CD1-CG2 3.54Å; K365-V369 PolarHBondContact O-N 2.89Å; I366-V369 WeakPolarHBondContact O-CB 3.32Å; I366-V369 PolarHBondContact O-N 2.93Å; I366-V369 VanDerWaalsContact O-N 3.13Å; L367-V369 VanDerWaalsContact C-N 3.32Å; L367-V369 PolarHBondContact O-N 3.46Å; V369-M371 VanDerWaalsContact C-N 3.33Å; V369-M371 PolarHBondContact O-N 2.82Å; V369-A372 PolarHBondContact O-N 3.21Å; V369-L373 HydrophobicContact CG1-CD1 3.89Å; V369-L373 HydrophobicContact CG1-CG 4.28Å; V369-L373 WeakPolarHBondContact O-CB 3.46Å; V369-L373 VanDerWaalsContact O-CG 3.3Å; V369-L373 WeakPolarHBondContact O-CG 3.34Å; V369-L373 PolarHBondContact O-N 3.23Å; V369-L419 HydrophobicContact CG1-CD1 4Å; V369-L419 HydrophobicContact CG1-CD2 3.77Å; V369-L419 HydrophobicContact CG1-CG 3.63Å; V369-L419 HydrophobicContact CG2-CD1 4.4Å; V369-L423 HydrophobicContact CB-CD1 4.33Å; V369-L423 HydrophobicContact CG1-CD1 3.45Å; V369-L423 VanDerWaalsContact CG1-CD1 3.45Å; V369-L423 HydrophobicContact CG1-CG 4.04Å |
| 370 | L | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.3 | -38.6 | 177.6 | -66.5 | 175.9 | 0 | 0 | 0 | 112.1 | Y251 I366 L367 S374 F526 M530 T537 T541 | Y251-L370 HydrophobicContact CG-CB 4.27Å; I366-L370 HydrophobicContact CG1-CD1 4.18Å; I366-L370 HydrophobicContact CG1-CG 4.23Å; I366-L370 VanDerWaalsContact O-CG 3.32Å; I366-L370 WeakPolarHBondContact O-CG 3.33Å; I366-L370 PolarHBondContact O-N 3.08Å; L367-L370 PolarHBondContact O-N 3.36Å; L370-S374 VanDerWaalsContact O-CB 3.24Å; L370-S374 WeakPolarHBondContact O-CB 3.26Å; L370-S374 PolarHBondContact O-N 2.89Å; L370-F526 HydrophobicContact CD1-CE2 3.73Å; L370-F526 HydrophobicContact CD1-CZ 4.08Å; L370-M530 HydrophobicContact CD1-CE 4.2Å; L370-M530 HydrophobicContact CD1-SD 4.23Å; L370-T537 HydrophobicContact CD1-CG2 3.76Å; L370-T537 HydrophobicContact CD2-CG2 3.92Å; L370-T537 HydrophobicContact CG-CG2 4.49Å; L370-T541 HydrophobicContact CB-CG2 4.34Å; L370-T541 HydrophobicContact CD2-CG2 4.14Å; L370-T541 WeakPolarHBondContact CD2-OG1 3.49Å |
| 371 | M | 97.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 8.3 Ų | 8.3 | 10% | 0.103 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -57.7 | -52.9 | 170.9 | -73.3 | 163.3 | 75.4 | 0 | 0 | 111.2 | M228 L229 E250 L367 L368 V369 L373 S374 F375 | M228-M371 HydrophobicContact CE-CE 3.34Å; L229-M371 HydrophobicContact CD2-CB 3.87Å; L229-M371 HydrophobicContact CD2-CE 4.36Å; E250-M371 HydrophobicContact CB-CG 4.03Å; E250-M371 HydrophobicContact CB-SD 4.17Å; E250-M371 WeakPolarHBondContact O-CG 3.44Å; L367-M371 HydrophobicContact CG-SD 4.02Å; L367-M371 WeakPolarHBondContact O-CB 3.48Å; L367-M371 WeakPolarHBondContact O-CG 3.47Å; L367-M371 PolarHBondContact O-N 3.36Å; L368-M371 HydrophobicContact CD1-SD 4.41Å; L368-M371 WeakPolarHBondContact O-CB 3.34Å; L368-M371 PolarHBondContact O-N 3.33Å; V369-M371 VanDerWaalsContact C-N 3.33Å; V369-M371 PolarHBondContact O-N 2.82Å; M371-L373 PolarHBondContact O-N 3.44Å; M371-S374 PolarHBondContact O-N 3.39Å; M371-F375 WeakPolarHBondContact O-CB 3.36Å; M371-F375 WeakPolarHBondContact O-CG 3.39Å; M371-F375 PolarHBondContact O-N 3.36Å |
| 372 | A | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L229 L348 L351 L368 V369 T376 | L229-A372 HydrophobicContact CD1-CB 3.9Å; L229-A372 HydrophobicContact CD2-CB 4.2Å; L348-A372 HydrophobicContact CD1-CB 3.91Å; L351-A372 HydrophobicContact CD1-CB 3.62Å; L368-A372 WeakPolarHBondContact O-CB 3.11Å; L368-A372 PolarHBondContact O-N 2.92Å; V369-A372 PolarHBondContact O-N 3.21Å; A372-T376 WeakPolarHBondContact O-CB 3.48Å; A372-T376 PolarHBondContact O-N 3Å; A372-T376 PolarHBondContact O-OG1 2.97Å |
| 373 | L | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.3 | -49.4 | 176.5 | -71.6 | 175.8 | 0 | 0 | 0 | 111.3 | V369 M371 F375 T376 K377 M416 L419 L423 T541 | V369-L373 HydrophobicContact CG1-CD1 3.89Å; V369-L373 HydrophobicContact CG1-CG 4.28Å; V369-L373 WeakPolarHBondContact O-CB 3.46Å; V369-L373 VanDerWaalsContact O-CG 3.3Å; V369-L373 WeakPolarHBondContact O-CG 3.34Å; V369-L373 PolarHBondContact O-N 3.23Å; M371-L373 PolarHBondContact O-N 3.44Å; L373-F375 VanDerWaalsContact C-N 3.34Å; L373-F375 PolarHBondContact O-N 3.32Å; L373-T376 PolarHBondContact O-N 3.22Å; L373-K377 WeakPolarHBondContact O-CB 3.33Å; L373-K377 PolarHBondContact O-N 2.93Å; L373-M416 HydrophobicContact CD2-CG 3.87Å; L373-L419 HydrophobicContact CD2-CB 4.36Å; L373-L419 HydrophobicContact CD2-CD2 4.33Å; L373-L419 HydrophobicContact CG-CD2 4.45Å; L373-L423 HydrophobicContact CD1-CD1 4.27Å; L373-T541 CarbonylContact C-O 3.47Å |
| 374 | S | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.014 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 178.6 | 174.7 | 0 | 0 | 0 | 0 | 111.9 | Y251 L370 M371 T376 K377 D378 T541 | Y251-S374 PolarHBondContact O-OG 2.97Å; Y251-S374 VanDerWaalsContact O-OG 3.06Å; L370-S374 VanDerWaalsContact O-CB 3.24Å; L370-S374 WeakPolarHBondContact O-CB 3.26Å; L370-S374 PolarHBondContact O-N 2.89Å; M371-S374 PolarHBondContact O-N 3.39Å; S374-T376 VanDerWaalsContact C-N 3.33Å; S374-T376 PolarHBondContact O-N 3.33Å; S374-K377 PolarHBondContact O-N 3.44Å; S374-D378 VanDerWaalsContact O-CG 3.32Å; S374-D378 PolarHBondContact O-N 2.98Å; S374-T541 WeakPolarHBondContact CA-O 3.21Å; S374-T541 PolarHBondContact N-O 3.35Å |
| 375 | F | 98.1 | Very high | 97 | Very high | 10 Ų | 10 | 6.6 Ų | 6.6 | 4% | 0.044 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.3 | -69.6 | -10.6 | 0 | 0 | 0 | 112.4 | W223 M228 L229 L344 M371 L373 D378 E379 | W223-F375 HydrophobicContact CH2-CD2 4.07Å; W223-F375 HydrophobicContact CH2-CE2 4.44Å; W223-F375 HydrophobicContact CH2-CG 4.42Å; W223-F375 HydrophobicContact CZ2-CD2 4.07Å; W223-F375 AromaticContact CZ2-CE2 3.98Å; W223-F375 HydrophobicContact CZ2-CE2 3.98Å; W223-F375 HydrophobicContact CZ2-CZ 4.37Å; M228-F375 HydrophobicContact CE-CE2 3.29Å; M228-F375 HydrophobicContact CE-CZ 3.6Å; M228-F375 HydrophobicContact SD-CE2 3.95Å; L229-F375 HydrophobicContact CD1-CD2 4.05Å; L344-F375 HydrophobicContact CD1-CB 4.08Å; L344-F375 HydrophobicContact CD2-CB 3.71Å; L344-F375 HydrophobicContact CD2-CD2 4.24Å; M371-F375 WeakPolarHBondContact O-CB 3.36Å; M371-F375 WeakPolarHBondContact O-CG 3.39Å; M371-F375 PolarHBondContact O-N 3.36Å; L373-F375 VanDerWaalsContact C-N 3.34Å; L373-F375 PolarHBondContact O-N 3.32Å; F375-D378 PolarHBondContact O-N 3.5Å; F375-E379 WeakPolarHBondContact O-CG 3.42Å; F375-E379 PolarHBondContact O-N 2.91Å; F375-E379 VanDerWaalsContact O-N 3.08Å |
| 376 | T | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 179 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | L348 A372 L373 S374 D378 E379 V380 L412 M416 | L348-T376 WeakPolarHBondContact CD1-OG1 3.33Å; L348-T376 HydrophobicContact CD2-CG2 3.91Å; L348-T376 WeakPolarHBondContact CD2-OG1 3.36Å; A372-T376 WeakPolarHBondContact O-CB 3.48Å; A372-T376 PolarHBondContact O-N 3Å; A372-T376 PolarHBondContact O-OG1 2.97Å; L373-T376 PolarHBondContact O-N 3.22Å; S374-T376 VanDerWaalsContact C-N 3.33Å; S374-T376 PolarHBondContact O-N 3.33Å; T376-D378 PolarHBondContact O-N 3.31Å; T376-E379 PolarHBondContact O-N 3.41Å; T376-V380 HydrophobicContact CG2-CG2 4.31Å; T376-V380 VanDerWaalsContact O-CG2 3.26Å; T376-V380 WeakPolarHBondContact O-CG2 3.49Å; T376-V380 PolarHBondContact O-N 3.2Å; T376-L412 HydrophobicContact CG2-CD1 3.56Å; T376-L412 HydrophobicContact CG2-CD2 3.93Å; T376-L412 HydrophobicContact CG2-CG 3.56Å; T376-M416 HydrophobicContact CG2-CB 4.23Å; T376-M416 HydrophobicContact CG2-CG 4.24Å; T376-M416 HydrophobicContact CG2-SD 3.63Å |
| 377 | K | 98.2 | Very high | 96.7 | Very high | 31 Ų | 31 | 8.1 Ų | 8.1 | 14% | 0.135 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -56 | -51 | 173.5 | -178.8 | -172.4 | 170.1 | -165.2 | 0 | 111 | L373 S374 E379 V380 E381 M416 E540 T541 | L373-K377 WeakPolarHBondContact O-CB 3.33Å; L373-K377 PolarHBondContact O-N 2.93Å; S374-K377 PolarHBondContact O-N 3.44Å; K377-E379 VanDerWaalsContact C-N 3.31Å; K377-E379 PolarHBondContact O-N 2.84Å; K377-V380 PolarHBondContact O-N 2.77Å; K377-E381 WeakPolarHBondContact CE-OE1 3.49Å; K377-E381 HydrophobicContact CG-CG 4.32Å; K377-E381 WeakPolarHBondContact O-CG 3.44Å; K377-E381 PolarHBondContact O-N 3.32Å; K377-M416 HydrophobicContact CB-CE 3.69Å; K377-M416 HydrophobicContact CG-CE 4.37Å; K377-E540 PolarHBondContact NZ-O 2.84Å; K377-T541 WeakPolarHBondContact CB-O 3.43Å |
| 378 | D | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 11.4 Ų | 11.4 | 3% | 0.027 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.5 | -43.9 | -179.9 | -71.9 | -32.1 | 0 | 0 | 0 | 111.5 | S253 M254 S374 F375 T376 W382 | S253-D378 WeakPolarHBondContact CA-OD2 3.42Å; S253-D378 WeakPolarHBondContact CB-OD1 3.26Å; S253-D378 PolarHBondContact OG-OD1 2.82Å; M254-D378 HydrophobicContact CB-CB 4.41Å; M254-D378 WeakPolarHBondContact CB-OD2 3.47Å; M254-D378 PolarHBondContact N-OD1 3.39Å; M254-D378 PolarHBondContact N-OD2 3.25Å; S374-D378 VanDerWaalsContact O-CG 3.32Å; S374-D378 PolarHBondContact O-N 2.98Å; F375-D378 PolarHBondContact O-N 3.5Å; T376-D378 PolarHBondContact O-N 3.31Å; D378-W382 VanDerWaalsContact O-CB 3.22Å; D378-W382 WeakPolarHBondContact O-CB 3.42Å; D378-W382 PolarHBondContact O-N 2.87Å |
| 379 | E | 97.6 | Very high | 96.1 | Very high | 3 Ų | 3 | 13.5 Ų | 13.5 | 1% | 0.014 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -69.7 | -35.6 | 178.9 | -69.7 | -59 | 139.2 | 0 | 0 | 113.6 | H337 K340 R341 L344 F375 T376 K377 L383 | H337-E379 WeakPolarHBondContact CA-OE2 3.35Å; H337-E379 WeakPolarHBondContact CB-OE2 3.35Å; H337-E379 IonicContact CE1-OE1 2.81Å; H337-E379 IonicContact CE1-OE2 3.52Å; H337-E379 IonicContact CG-OE2 3.29Å; H337-E379 VanDerWaalsContact ND1-CD 3.27Å; H337-E379 IonicContact ND1-OE1 3Å; H337-E379 PolarHBondContact ND1-OE1 3.44Å; H337-E379 IonicContact ND1-OE2 3.91Å; H337-E379 PolarHBondContact ND1-OE2 3.23Å; K340-E379 HydrophobicContact CB-CG 4.05Å; K340-E379 WeakPolarHBondContact CD-OE1 3.47Å; R341-E379 HydrophobicContact CG-CB 3.8Å; R341-E379 HydrophobicContact CG-CG 4.35Å; L344-E379 HydrophobicContact CD1-CB 4.3Å; L344-E379 HydrophobicContact CD1-CG 3.68Å; F375-E379 WeakPolarHBondContact O-CG 3.42Å; F375-E379 PolarHBondContact O-N 2.91Å; F375-E379 VanDerWaalsContact O-N 3.08Å; T376-E379 PolarHBondContact O-N 3.41Å; K377-E379 VanDerWaalsContact C-N 3.31Å; K377-E379 PolarHBondContact O-N 2.84Å; E379-L383 WeakPolarHBondContact O-CB 3.47Å; E379-L383 PolarHBondContact O-N 2.98Å; E379-L383 VanDerWaalsContact O-N 3.08Å |
| 380 | V | 97.6 | Very high | 95.8 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.9 | -49 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110 | T376 K377 W382 L383 L384 L409 L412 L413 L544 Y547 | T376-V380 HydrophobicContact CG2-CG2 4.31Å; T376-V380 VanDerWaalsContact O-CG2 3.26Å; T376-V380 WeakPolarHBondContact O-CG2 3.49Å; T376-V380 PolarHBondContact O-N 3.2Å; K377-V380 PolarHBondContact O-N 2.77Å; V380-W382 VanDerWaalsContact C-N 3.33Å; V380-W382 PolarHBondContact O-N 3.5Å; V380-L383 WeakPolarHBondContact O-CB 3.39Å; V380-L383 PolarHBondContact O-N 3.18Å; V380-L384 HydrophobicContact CG1-CD1 4.31Å; V380-L384 WeakPolarHBondContact O-CG 3.48Å; V380-L384 PolarHBondContact O-N 3.33Å; V380-L409 HydrophobicContact CG2-CD1 4.18Å; V380-L412 HydrophobicContact CG2-CD2 4.33Å; V380-L413 HydrophobicContact CG1-CD2 3.99Å; V380-L413 HydrophobicContact CG2-CD2 3.86Å; V380-L544 HydrophobicContact CB-CD2 4.21Å; V380-L544 HydrophobicContact CG1-CD2 3.76Å; V380-Y547 HydrophobicContact CG1-CE2 4.01Å |
| 381 | E | 96.5 | Very high | 95.2 | Very high | 25 Ų | 25 | 16.6 Ų | 16.6 | 12% | 0.117 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.5 | -38.8 | 178.9 | -66.5 | -174.8 | 171 | 0 | 0 | 111.8 | K377 L383 L384 R385 L546 | K377-E381 WeakPolarHBondContact CE-OE1 3.49Å; K377-E381 HydrophobicContact CG-CG 4.32Å; K377-E381 WeakPolarHBondContact O-CG 3.44Å; K377-E381 PolarHBondContact O-N 3.32Å; E381-L383 VanDerWaalsContact C-N 3.32Å; E381-L383 PolarHBondContact O-N 2.98Å; E381-L384 PolarHBondContact O-N 3.1Å; E381-R385 WeakPolarHBondContact O-CG 3.3Å; E381-R385 PolarHBondContact O-N 2.96Å; E381-R385 VanDerWaalsContact O-N 3.1Å; E381-R385 IonicContact OE2-NH1 2.63Å; E381-L546 HydrophobicContact CB-CD2 4.13Å; E381-L546 HydrophobicContact CG-CD2 3.8Å |
| 382 | W | 96.6 | Very high | 94 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.4 | -47.6 | 173.1 | -176.1 | 96.5 | 0 | 0 | 0 | 111.2 | D288 H337 D378 V380 R385 H386 W390 L404 | D288-W382 PolarHBondContact OD1-NE1 2.91Å; D288-W382 VanDerWaalsContact OD1-NE1 3.17Å; H337-W382 HydrophobicContact CB-CD2 4.02Å; H337-W382 HydrophobicContact CB-CE3 3.7Å; H337-W382 HydrophobicContact CB-CH2 3.98Å; H337-W382 HydrophobicContact CB-CZ2 4.23Å; H337-W382 HydrophobicContact CB-CZ3 3.69Å; H337-W382 AromaticContact CD2-CD2 3.76Å; H337-W382 AromaticContact CD2-CE2 3.24Å; H337-W382 AromaticContact CD2-CZ2 3.41Å; H337-W382 VanDerWaalsContact CD2-CZ2 3.41Å; H337-W382 WeakPolarHBondContact CD2-CZ2 3.37Å; H337-W382 AromaticContact CD2-NE1 3.44Å; H337-W382 PolarHBondContact CD2-NE1 3.48Å; H337-W382 AromaticContact CE1-CD1 3.33Å; H337-W382 AromaticContact CE1-CD2 3.85Å; H337-W382 AromaticContact CE1-CE2 3.81Å; H337-W382 AromaticContact CE1-CG 3.61Å; H337-W382 AromaticContact CE1-NE1 3.44Å; H337-W382 PolarHBondContact CE1-NE1 3.45Å; H337-W382 AromaticContact CG-CD2 3.55Å; H337-W382 AromaticContact CG-CE2 3.56Å; H337-W382 AromaticContact CG-CE3 3.79Å; H337-W382 AromaticContact CG-CZ2 3.86Å; H337-W382 AromaticContact CG-NE1 3.98Å; H337-W382 AromaticContact ND1-CD1 3.88Å; H337-W382 AromaticContact ND1-CD2 3.66Å; H337-W382 AromaticContact ND1-CE2 3.93Å; H337-W382 AromaticContact ND1-CG 3.69Å; H337-W382 AromaticContact ND1-NE1 4Å; H337-W382 AromaticContact NE2-CD1 3.53Å; H337-W382 AromaticContact NE2-CD2 3.99Å; H337-W382 AromaticContact NE2-CE2 3.47Å; H337-W382 AromaticContact NE2-NE1 3.11Å; H337-W382 PolarHBondContact NE2-NE1 3.24Å; H337-W382 VanDerWaalsContact NE2-NE1 3.11Å; D378-W382 VanDerWaalsContact O-CB 3.22Å; D378-W382 WeakPolarHBondContact O-CB 3.42Å; D378-W382 PolarHBondContact O-N 2.87Å; V380-W382 VanDerWaalsContact C-N 3.33Å; V380-W382 PolarHBondContact O-N 3.5Å; W382-R385 PolarHBondContact O-N 2.78Å; W382-H386 AromaticContact CD1-CE1 3.41Å; W382-H386 VanDerWaalsContact CD1-CE1 3.41Å; W382-H386 AromaticContact CD1-ND1 3.48Å; W382-H386 HydrophobicContact CD2-CB 4.33Å; W382-H386 AromaticContact CD2-CG 3.98Å; W382-H386 AromaticContact CD2-ND1 3.51Å; W382-H386 AromaticContact CE2-CE1 3.61Å; W382-H386 AromaticContact CE2-CG 3.6Å; W382-H386 AromaticContact CE2-ND1 3.33Å; W382-H386 VanDerWaalsContact CE2-ND1 3.33Å; W382-H386 HydrophobicContact CE3-CB 4.27Å; W382-H386 AromaticContact CG-ND1 3.59Å; W382-H386 HydrophobicContact CH2-CB 3.97Å; W382-H386 HydrophobicContact CZ2-CB 4.07Å; W382-H386 AromaticContact CZ2-CD2 3.9Å; W382-H386 AromaticContact CZ2-CG 3.68Å; W382-H386 AromaticContact CZ2-ND1 3.92Å; W382-H386 HydrophobicContact CZ3-CB 4.09Å; W382-H386 AromaticContact NE1-CE1 3.15Å; W382-H386 PolarHBondContact NE1-CE1 3.44Å; W382-H386 AromaticContact NE1-CG 3.97Å; W382-H386 AromaticContact NE1-ND1 3.33Å; W382-H386 PolarHBondContact NE1-ND1 3.25Å; W382-H386 AromaticContact NE1-NE2 3.73Å; W382-H386 WeakPolarHBondContact O-CB 3.44Å; W382-H386 PolarHBondContact O-N 2.9Å; W382-H386 PolarHBondContact O-ND1 2.93Å; W382-W390 HydrophobicContact CH2-CZ3 4.42Å; W382-L404 HydrophobicContact CH2-CD2 4.08Å; W382-L404 HydrophobicContact CZ3-CD2 4.17Å |
| 383 | L | 95.9 | Very high | 92.3 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.7 | -47.7 | 179.2 | -174.3 | 64.7 | 0 | 0 | 0 | 111.3 | E379 V380 E381 R385 H386 T387 L404 D406 L409 | E379-L383 WeakPolarHBondContact O-CB 3.47Å; E379-L383 PolarHBondContact O-N 2.98Å; E379-L383 VanDerWaalsContact O-N 3.08Å; V380-L383 WeakPolarHBondContact O-CB 3.39Å; V380-L383 PolarHBondContact O-N 3.18Å; E381-L383 VanDerWaalsContact C-N 3.32Å; E381-L383 PolarHBondContact O-N 2.98Å; L383-R385 VanDerWaalsContact C-N 3.29Å; L383-R385 PolarHBondContact O-N 3.34Å; L383-H386 PolarHBondContact O-N 3.07Å; L383-T387 WeakPolarHBondContact O-CB 3.48Å; L383-T387 PolarHBondContact O-N 2.74Å; L383-T387 PolarHBondContact O-OG1 2.83Å; L383-L404 WeakPolarHBondContact CD1-O 3.35Å; L383-D406 HydrophobicContact CD2-CB 4.23Å; L383-L409 HydrophobicContact CD2-CD1 4.12Å; L383-L409 HydrophobicContact CD2-CD2 3.83Å |
| 384 | L | 95.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.6 | -40.2 | -179.8 | -65.9 | 178.2 | 0 | 0 | 0 | 113 | V380 E381 N388 Y547 Y550 L553 | V380-L384 HydrophobicContact CG1-CD1 4.31Å; V380-L384 WeakPolarHBondContact O-CG 3.48Å; V380-L384 PolarHBondContact O-N 3.33Å; E381-L384 PolarHBondContact O-N 3.1Å; L384-N388 PolarHBondContact O-ND2 3.01Å; L384-Y547 HydrophobicContact CD1-CD1 3.92Å; L384-Y547 HydrophobicContact CD1-CD2 4.21Å; L384-Y547 HydrophobicContact CD1-CE1 3.92Å; L384-Y547 HydrophobicContact CD1-CE2 4.15Å; L384-Y547 HydrophobicContact CD1-CG 4.11Å; L384-Y547 HydrophobicContact CD2-CD1 3.87Å; L384-Y547 HydrophobicContact CD2-CE1 3.27Å; L384-Y547 HydrophobicContact CG-CE1 4.18Å; L384-Y550 HydrophobicContact CB-CD2 3.86Å; L384-Y550 HydrophobicContact CB-CE2 4.01Å; L384-Y550 HydrophobicContact CB-CG 4.26Å; L384-Y550 HydrophobicContact CD1-CD2 4.11Å; L384-Y550 HydrophobicContact CG-CD2 4.5Å; L384-L553 HydrophobicContact CD2-CB 4.42Å; L384-L553 HydrophobicContact CD2-CD1 4.17Å; L384-L553 WeakPolarHBondContact O-CD1 3.36Å |
| 385 | R | 94.4 | Very high | 88.2 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.011 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69.3 | -54.6 | 175.9 | -66.8 | -174.2 | -55.4 | -106.3 | 7.9 | 111 | D255 V290 T292 E381 W382 L383 T387 N388 Y389 Y550 | D255-R385 IonicContact OD1-CZ 4Å; D255-R385 IonicContact OD1-NE 3.93Å; D255-R385 IonicContact OD1-NH1 3.99Å; D255-R385 PolarHBondContact OD1-NH1 2.86Å; D255-R385 VanDerWaalsContact OD1-NH1 3.08Å; D255-R385 IonicContact OD1-NH2 2.89Å; D255-R385 PolarHBondContact OD1-NH2 2.85Å; V290-R385 HydrophobicContact CG2-CB 4.42Å; T292-R385 WeakPolarHBondContact OG1-CD 3.48Å; T292-R385 PolarHBondContact OG1-NE 3.43Å; T292-R385 PolarHBondContact OG1-NH1 3.46Å; E381-R385 WeakPolarHBondContact O-CG 3.3Å; E381-R385 PolarHBondContact O-N 2.96Å; E381-R385 VanDerWaalsContact O-N 3.1Å; E381-R385 IonicContact OE2-NH1 2.63Å; W382-R385 PolarHBondContact O-N 2.78Å; L383-R385 VanDerWaalsContact C-N 3.29Å; L383-R385 PolarHBondContact O-N 3.34Å; R385-T387 VanDerWaalsContact C-N 3.34Å; R385-T387 PolarHBondContact O-N 2.73Å; R385-N388 PolarHBondContact O-N 3.08Å; R385-Y389 WeakPolarHBondContact O-CD2 3.47Å; R385-Y389 PolarHBondContact O-N 3.24Å; R385-Y389 VanDerWaalsContact O-N 3.09Å; R385-Y550 WeakPolarHBondContact CG-OH 3.11Å |
| 386 | H | 94.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71.5 | -28.3 | -169.3 | -72.5 | 84.3 | 0 | 0 | 0 | 112.9 | D288 L289 W382 L383 N388 Y389 W390 L404 | D288-H386 IonicContact OD1-CE1 3.44Å; D288-H386 PolarHBondContact OD1-CE1 2.66Å; D288-H386 VanDerWaalsContact OD1-CE1 3.29Å; D288-H386 IonicContact OD1-NE2 3.97Å; L289-H386 PolarHBondContact N-NE2 3.37Å; L289-H386 VanDerWaalsContact N-NE2 3.11Å; W382-H386 AromaticContact CD1-CE1 3.41Å; W382-H386 VanDerWaalsContact CD1-CE1 3.41Å; W382-H386 AromaticContact CD1-ND1 3.48Å; W382-H386 HydrophobicContact CD2-CB 4.33Å; W382-H386 AromaticContact CD2-CG 3.98Å; W382-H386 AromaticContact CD2-ND1 3.51Å; W382-H386 AromaticContact CE2-CE1 3.61Å; W382-H386 AromaticContact CE2-CG 3.6Å; W382-H386 AromaticContact CE2-ND1 3.33Å; W382-H386 VanDerWaalsContact CE2-ND1 3.33Å; W382-H386 HydrophobicContact CE3-CB 4.27Å; W382-H386 AromaticContact CG-ND1 3.59Å; W382-H386 HydrophobicContact CH2-CB 3.97Å; W382-H386 HydrophobicContact CZ2-CB 4.07Å; W382-H386 AromaticContact CZ2-CD2 3.9Å; W382-H386 AromaticContact CZ2-CG 3.68Å; W382-H386 AromaticContact CZ2-ND1 3.92Å; W382-H386 HydrophobicContact CZ3-CB 4.09Å; W382-H386 AromaticContact NE1-CE1 3.15Å; W382-H386 PolarHBondContact NE1-CE1 3.44Å; W382-H386 AromaticContact NE1-CG 3.97Å; W382-H386 AromaticContact NE1-ND1 3.33Å; W382-H386 PolarHBondContact NE1-ND1 3.25Å; W382-H386 AromaticContact NE1-NE2 3.73Å; W382-H386 WeakPolarHBondContact O-CB 3.44Å; W382-H386 PolarHBondContact O-N 2.9Å; W382-H386 PolarHBondContact O-ND1 2.93Å; L383-H386 PolarHBondContact O-N 3.07Å; H386-N388 VanDerWaalsContact C-N 3.27Å; H386-N388 PolarHBondContact O-N 3Å; H386-Y389 PolarHBondContact O-N 3.32Å; H386-W390 HydrophobicContact CB-CE3 4.4Å; H386-W390 VanDerWaalsContact O-CB 3.3Å; H386-W390 WeakPolarHBondContact O-CB 3.3Å; H386-W390 PolarHBondContact O-N 3.46Å; H386-L404 HydrophobicContact CB-CD2 4.21Å |
| 387 | T | 92.1 | Very high | 83.5 | Confident | 45 Ų | 45 | 45.9 Ų | 45.9 | 28% | 0.276 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -34 | 173.1 | -59.5 | 0 | 0 | 0 | 0 | 112.4 | L383 R385 L404 L553 | L383-T387 WeakPolarHBondContact O-CB 3.48Å; L383-T387 PolarHBondContact O-N 2.74Å; L383-T387 PolarHBondContact O-OG1 2.83Å; R385-T387 VanDerWaalsContact C-N 3.34Å; R385-T387 PolarHBondContact O-N 2.73Å; T387-L404 PolarHBondContact OG1-O 2.92Å; T387-L553 HydrophobicContact CG2-CD1 4.32Å; T387-L553 HydrophobicContact CG2-CD2 3.68Å |
| 388 | N | 88.7 | Confident | 81.3 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -87.6 | -29.6 | 179.6 | -75.1 | -37 | 0 | 0 | 0 | 114 | L384 R385 H386 Y550 L553 | L384-N388 PolarHBondContact O-ND2 3.01Å; R385-N388 PolarHBondContact O-N 3.08Å; H386-N388 VanDerWaalsContact C-N 3.27Å; H386-N388 PolarHBondContact O-N 3Å; N388-Y550 WeakPolarHBondContact ND2-CD1 3.45Å; N388-Y550 VanDerWaalsContact ND2-CE1 3.3Å; N388-Y550 WeakPolarHBondContact ND2-CE1 3.26Å; N388-L553 WeakPolarHBondContact ND2-CD1 3.2Å |
| 389 | Y | 89.4 | Confident | 79.1 | Confident | 58 Ų | 58 | 58.8 Ų | 58.8 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -110.3 | 8.8 | -171.9 | -58.8 | -63.4 | 0 | 0 | 0 | 114.1 | V290 D296 V298 Y300 R385 H386 Y550 | V290-Y389 HydrophobicContact CG2-CD2 4.38Å; D296-Y389 PolarHBondContact O-OH 2.94Å; V298-Y389 HydrophobicContact CB-CD2 4.3Å; V298-Y389 HydrophobicContact CB-CE2 4.26Å; V298-Y389 HydrophobicContact CG1-CD2 3.69Å; V298-Y389 HydrophobicContact CG1-CE2 3.48Å; V298-Y389 VanDerWaalsContact CG1-CE2 3.48Å; V298-Y389 HydrophobicContact CG2-CD1 3.93Å; V298-Y389 HydrophobicContact CG2-CD2 3.69Å; V298-Y389 HydrophobicContact CG2-CE1 3.94Å; V298-Y389 HydrophobicContact CG2-CE2 3.74Å; V298-Y389 HydrophobicContact CG2-CG 3.81Å; Y300-Y389 WeakPolarHBondContact OH-CD1 3.47Å; R385-Y389 WeakPolarHBondContact O-CD2 3.47Å; R385-Y389 PolarHBondContact O-N 3.24Å; R385-Y389 VanDerWaalsContact O-N 3.09Å; H386-Y389 PolarHBondContact O-N 3.32Å; Y389-Y550 HydrophobicContact CE2-CE1 4.45Å |
| 390 | W | 89.8 | Confident | 77.1 | Confident | 32 Ų | 32 | 59.1 Ų | 59.1 | 12% | 0.121 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -64.3 | 133.7 | 173.5 | -159.3 | -91.4 | 0 | 0 | 0 | 111.6 | L289 L330 W382 H386 A392 L404 | L289-W390 HydrophobicContact CD1-CD2 3.96Å; L289-W390 HydrophobicContact CD1-CE3 3.45Å; L289-W390 VanDerWaalsContact CD1-CE3 3.45Å; L289-W390 HydrophobicContact CD1-CH2 3.88Å; L289-W390 HydrophobicContact CD1-CZ2 4.33Å; L289-W390 HydrophobicContact CD1-CZ3 3.41Å; L289-W390 VanDerWaalsContact CD1-CZ3 3.41Å; L289-W390 HydrophobicContact CG-CZ3 4.41Å; L330-W390 HydrophobicContact CD2-CZ2 4Å; W382-W390 HydrophobicContact CH2-CZ3 4.42Å; H386-W390 HydrophobicContact CB-CE3 4.4Å; H386-W390 VanDerWaalsContact O-CB 3.3Å; H386-W390 WeakPolarHBondContact O-CB 3.3Å; H386-W390 PolarHBondContact O-N 3.46Å; W390-A392 PolarHBondContact O-N 2.88Å; W390-L404 HydrophobicContact CB-CD1 3.73Å; W390-L404 HydrophobicContact CD2-CD1 3.56Å; W390-L404 HydrophobicContact CD2-CD2 4.35Å; W390-L404 HydrophobicContact CD2-CG 4.45Å; W390-L404 HydrophobicContact CE3-CD1 3.83Å; W390-L404 HydrophobicContact CE3-CD2 3.75Å; W390-L404 HydrophobicContact CE3-CG 4.32Å; W390-L404 HydrophobicContact CG-CD1 3.5Å; W390-L404 HydrophobicContact CZ3-CD2 4.05Å |
| 391 | P | 86.5 | Confident | 75.2 | Confident | 33 Ų | 33 | 61 Ų | 61 | 21% | 0.214 | 33% | 0.334 | C | S | . | . | trans | -60.3 | 123.8 | -179.2 | -25.8 | 35.1 | 0 | 0 | 0 | 113.6 | Y326 L330 K393 T394 | Y326-P391 WeakPolarHBondContact OH-CG 3.37Å; L330-P391 HydrophobicContact CD2-CG 3.89Å; P391-K393 VanDerWaalsContact C-N 3.28Å; P391-K393 PolarHBondContact O-N 3.3Å; P391-T394 PolarHBondContact O-OG1 3.28Å | ||
| 392 | A | 72.5 | Confident | 73.8 | Confident | 74 Ų | 74 | 65.9 Ų | 65.9 | 61% | 0.612 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -20.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | W390 K397 | W390-A392 PolarHBondContact O-N 2.88Å; A392-K397 WeakPolarHBondContact O-CE 3.39Å |
| 393 | K | 61.3 | Low | 72.9 | Confident | 209 Ų | 209 | 67.8 Ų | 67.8 | 91% | 0.909 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | 3.4 | -168.7 | -75.1 | -174.3 | 177.2 | 179.1 | 0 | 115.2 | P391 | P391-K393 VanDerWaalsContact C-N 3.28Å; P391-K393 PolarHBondContact O-N 3.3Å |
| 394 | T | 57.4 | Low | 72.4 | Confident | 33 Ų | 33 | 68.7 Ų | 68.7 | 20% | 0.202 | 38% | 0.375 | C | S | . | . | trans | -78.9 | 129 | 179.3 | 51.3 | 0 | 0 | 0 | 0 | 111.3 | L330 P391 T396 K397 | L330-T394 HydrophobicContact CD1-CG2 4.48Å; P391-T394 PolarHBondContact O-OG1 3.28Å; T394-T396 WeakPolarHBondContact CB-OG1 3.18Å; T394-T396 PolarHBondContact O-N 3.43Å; T394-K397 PolarHBondContact O-N 3.48Å | ||
| 395 | S | 52.8 | Low | 72 | Confident | 126 Ų | 126 | 70.7 Ų | 70.7 | 88% | 0.881 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.1 | 175.1 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | K397 | S395-K397 VanDerWaalsContact C-N 3.29Å; S395-K397 PolarHBondContact O-N 3.33Å |
| 396 | T | 49.1 | Very low | 71.9 | Confident | 72 Ų | 72 | 71.9 Ų | 71.9 | 44% | 0.442 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 6 | 179.1 | 17.4 | 0 | 0 | 0 | 0 | 115.8 | T394 S398 R399 S400 | T394-T396 WeakPolarHBondContact CB-OG1 3.18Å; T394-T396 PolarHBondContact O-N 3.43Å; T396-S398 PolarHBondContact O-N 3Å; T396-R399 PolarHBondContact O-N 3.21Å; T396-S400 PolarHBondContact O-N 3.06Å; T396-S400 PolarHBondContact O-OG 3.24Å |
| 397 | K | 50.5 | Low | 71.8 | Confident | 134 Ų | 134 | 78.5 Ų | 78.5 | 58% | 0.583 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -47.3 | -33.2 | 177.3 | -91.9 | -172.3 | 175.4 | -179 | 0 | 114.2 | A392 T394 S395 R399 G401 | A392-K397 WeakPolarHBondContact O-CE 3.39Å; T394-K397 PolarHBondContact O-N 3.48Å; S395-K397 VanDerWaalsContact C-N 3.29Å; S395-K397 PolarHBondContact O-N 3.33Å; K397-R399 VanDerWaalsContact C-N 3.35Å; K397-R399 PolarHBondContact O-N 3.4Å; K397-G401 PolarHBondContact O-N 3.47Å |
| 398 | S | 51 | Low | 72 | Confident | 109 Ų | 109 | 79.6 Ų | 79.6 | 76% | 0.762 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -68 | -29.9 | 177.4 | 177.5 | 0 | 0 | 0 | 0 | 113.8 | T396 | T396-S398 PolarHBondContact O-N 3Å |
| 399 | R | 52.1 | Low | 72.4 | Confident | 198 Ų | 198 | 76 Ų | 76 | 75% | 0.747 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -92.9 | -42.1 | 178.7 | -130.1 | -178.5 | -168.6 | 179 | 1.6 | 111.6 | T396 K397 | T396-R399 PolarHBondContact O-N 3.21Å; K397-R399 VanDerWaalsContact C-N 3.35Å; K397-R399 PolarHBondContact O-N 3.4Å |
| 400 | S | 54.7 | Low | 72.8 | Confident | 9 Ų | 9 | 73.5 Ų | 73.5 | 6% | 0.063 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -77.9 | -23.6 | -176.9 | 65.3 | 0 | 0 | 0 | 0 | 113.7 | T396 D402 E403 L404 | T396-S400 PolarHBondContact O-N 3.06Å; T396-S400 PolarHBondContact O-OG 3.24Å; S400-D402 VanDerWaalsContact C-N 3.33Å; S400-D402 PolarHBondContact O-N 3.04Å; S400-E403 PolarHBondContact O-N 3.33Å; S400-L404 WeakPolarHBondContact O-CG 3.28Å; S400-L404 PolarHBondContact O-N 2.93Å |
| 401 | G | 58.5 | Low | 73.2 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 42% | 0.423 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K397 E403 G405 | K397-G401 PolarHBondContact O-N 3.47Å; G401-E403 VanDerWaalsContact C-N 3.34Å; G401-G405 PolarHBondContact O-N 2.9Å; G401-G405 VanDerWaalsContact O-N 3.16Å |
| 402 | D | 67.4 | Low | 73.7 | Confident | 128 Ų | 128 | 71.8 Ų | 71.8 | 68% | 0.684 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -75.3 | -22.2 | 176.4 | -77.9 | -14.3 | 0 | 0 | 0 | 112.7 | S400 | S400-D402 VanDerWaalsContact C-N 3.33Å; S400-D402 PolarHBondContact O-N 3.04Å |
| 403 | E | 77.6 | Confident | 75 | Confident | 40 Ų | 40 | 68.2 Ų | 68.2 | 19% | 0.187 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -85.4 | -30.6 | 179.5 | -67.3 | 174.2 | -179.1 | 0 | 0 | 112.8 | Y335 R341 S400 G401 | Y335-E403 PolarHBondContact N-OE2 3.47Å; R341-E403 PolarHBondContact NH2-O 3.19Å; S400-E403 PolarHBondContact O-N 3.33Å; G401-E403 VanDerWaalsContact C-N 3.34Å |
| 404 | L | 86.2 | Confident | 76.7 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 11% | 0.11 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -88.7 | -12.9 | 174.9 | -64.2 | 172.7 | 0 | 0 | 0 | 113.4 | W382 L383 H386 T387 W390 S400 | W382-L404 HydrophobicContact CH2-CD2 4.08Å; W382-L404 HydrophobicContact CZ3-CD2 4.17Å; L383-L404 WeakPolarHBondContact CD1-O 3.35Å; H386-L404 HydrophobicContact CB-CD2 4.21Å; T387-L404 PolarHBondContact OG1-O 2.92Å; W390-L404 HydrophobicContact CB-CD1 3.73Å; W390-L404 HydrophobicContact CD2-CD1 3.56Å; W390-L404 HydrophobicContact CD2-CD2 4.35Å; W390-L404 HydrophobicContact CD2-CG 4.45Å; W390-L404 HydrophobicContact CE3-CD1 3.83Å; W390-L404 HydrophobicContact CE3-CD2 3.75Å; W390-L404 HydrophobicContact CE3-CG 4.32Å; W390-L404 HydrophobicContact CG-CD1 3.5Å; W390-L404 HydrophobicContact CZ3-CD2 4.05Å; S400-L404 WeakPolarHBondContact O-CG 3.28Å; S400-L404 PolarHBondContact O-N 2.93Å |
| 405 | G | 86.4 | Confident | 78.7 | Confident | 43 Ų | 43 | 57.9 Ų | 57.9 | 44% | 0.443 | 32% | 0.315 | S | S | . | . | trans | -95.5 | 133.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | G401 | G401-G405 PolarHBondContact O-N 2.9Å; G401-G405 VanDerWaalsContact O-N 3.16Å | ||
| 406 | D | 92.3 | Very high | 80.9 | Confident | 28 Ų | 28 | 51.9 Ų | 51.9 | 15% | 0.15 | 27% | 0.273 | C | S | . | . | trans | -131.2 | 97.4 | 173.4 | -168.4 | -11.6 | 0 | 0 | 0 | 110.6 | R341 R345 L383 M408 L409 | R341-D406 IonicContact NE-OD2 3.02Å; R341-D406 PolarHBondContact NE-OD2 2.97Å; R345-D406 IonicContact CZ-OD1 2.72Å; R345-D406 IonicContact NH1-OD1 2.66Å; R345-D406 PolarHBondContact NH1-OD1 3.34Å; R345-D406 IonicContact NH1-OD2 2.75Å; R345-D406 PolarHBondContact NH1-OD2 3.33Å; L383-D406 HydrophobicContact CD2-CB 4.23Å; D406-M408 PolarHBondContact O-N 3.45Å; D406-M408 VanDerWaalsContact O-N 3.17Å; D406-M408 PolarHBondContact OD1-N 3.46Å; D406-L409 HydrophobicContact CB-CB 4.08Å; D406-L409 VanDerWaalsContact O-CB 3.23Å; D406-L409 WeakPolarHBondContact O-CB 3.34Å; D406-L409 PolarHBondContact O-N 2.93Å; D406-L409 VanDerWaalsContact O-N 3.15Å; D406-L409 PolarHBondContact OD1-N 3Å | ||
| 407 | R | 92.4 | Very high | 83.2 | Confident | 139 Ų | 139 | 48.9 Ų | 48.9 | 53% | 0.525 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.3 | 179.9 | -65.1 | 178.3 | -175.3 | 153.3 | 8 | 112.5 | P410 Y564 Q567 | R407-P410 WeakPolarHBondContact O-CD 3.36Å; R407-Y564 HydrophobicContact CB-CD2 4.29Å; R407-Y564 HydrophobicContact CB-CE2 4.27Å; R407-Y564 VanDerWaalsContact CD-CZ 3.44Å; R407-Y564 HydrophobicContact CG-CD2 4.24Å; R407-Y564 HydrophobicContact CG-CE2 3.72Å; R407-Y564 PolarHBondContact NE-OH 3.45Å; R407-Q567 WeakPolarHBondContact O-CG 3.42Å |
| 408 | M | 95.1 | Very high | 85.4 | Confident | 69 Ų | 69 | 44.1 Ų | 44.1 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.5 | 18.1 | -178.9 | -34.8 | -139 | 159.2 | 0 | 0 | 112.6 | R345 D406 P410 E411 L412 Q567 | R345-M408 WeakPolarHBondContact CD-O 3.44Å; R345-M408 PolarHBondContact NH1-O 3.32Å; D406-M408 PolarHBondContact O-N 3.45Å; D406-M408 VanDerWaalsContact O-N 3.17Å; D406-M408 PolarHBondContact OD1-N 3.46Å; M408-P410 VanDerWaalsContact C-N 3.3Å; M408-E411 PolarHBondContact O-N 3.41Å; M408-L412 PolarHBondContact O-N 3.28Å; M408-Q567 HydrophobicContact CG-CG 4.5Å; M408-Q567 PolarHBondContact SD-NE2 3.19Å |
| 409 | L | 96.4 | Very high | 87.7 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -54 | -39.6 | 165.4 | -178 | 65.6 | 0 | 0 | 0 | 112.9 | V380 L383 D406 E411 L412 L413 H557 | V380-L409 HydrophobicContact CG2-CD1 4.18Å; L383-L409 HydrophobicContact CD2-CD1 4.12Å; L383-L409 HydrophobicContact CD2-CD2 3.83Å; D406-L409 HydrophobicContact CB-CB 4.08Å; D406-L409 VanDerWaalsContact O-CB 3.23Å; D406-L409 WeakPolarHBondContact O-CB 3.34Å; D406-L409 PolarHBondContact O-N 2.93Å; D406-L409 VanDerWaalsContact O-N 3.15Å; D406-L409 PolarHBondContact OD1-N 3Å; L409-E411 VanDerWaalsContact C-N 3.32Å; L409-E411 PolarHBondContact O-N 3.12Å; L409-L412 HydrophobicContact CD1-CD2 4.3Å; L409-L412 WeakPolarHBondContact O-CB 3.46Å; L409-L412 PolarHBondContact O-N 3.49Å; L409-L413 HydrophobicContact CD1-CD2 4.47Å; L409-L413 HydrophobicContact CD1-CG 4.27Å; L409-L413 HydrophobicContact CG-CD1 4.04Å; L409-L413 HydrophobicContact CG-CG 4.15Å; L409-L413 WeakPolarHBondContact O-CG 3.33Å; L409-L413 PolarHBondContact O-N 3.37Å; L409-H557 WeakPolarHBondContact CD2-CE1 3.39Å; L409-H557 WeakPolarHBondContact CD2-ND1 3.27Å |
| 410 | P | 97.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.032 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -42.2 | 178.5 | -26.6 | 36.5 | 0 | 0 | 0 | 113.4 | R407 M408 L412 L413 F414 C561 F570 F574 | R407-P410 WeakPolarHBondContact O-CD 3.36Å; M408-P410 VanDerWaalsContact C-N 3.3Å; P410-L412 VanDerWaalsContact C-N 3.33Å; P410-L412 PolarHBondContact O-N 3.4Å; P410-L413 PolarHBondContact O-N 2.98Å; P410-F414 WeakPolarHBondContact O-CB 3.37Å; P410-F414 PolarHBondContact O-N 2.95Å; P410-C561 HydrophobicContact CB-CB 4.19Å; P410-C561 VanDerWaalsContact CB-SG 3.59Å; P410-C561 HydrophobicContact CG-CB 3.64Å; P410-F570 HydrophobicContact CB-CB 4.01Å; P410-F574 HydrophobicContact CB-CE2 4.18Å; P410-F574 HydrophobicContact CG-CE2 4.22Å; P410-F574 HydrophobicContact CG-CZ 4.24Å |
| 411 | E | 98.1 | Very high | 91.8 | Very high | 28 Ų | 28 | 32.6 Ų | 32.6 | 13% | 0.131 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.2 | -39.8 | 174.5 | -176.5 | 170.9 | -167.8 | 0 | 0 | 112.1 | K349 M408 L409 F414 Y415 F570 | K349-E411 IonicContact NZ-OE1 3.42Å; K349-E411 PolarHBondContact NZ-OE1 3.14Å; M408-E411 PolarHBondContact O-N 3.41Å; L409-E411 VanDerWaalsContact C-N 3.32Å; L409-E411 PolarHBondContact O-N 3.12Å; E411-F414 PolarHBondContact O-N 2.94Å; E411-Y415 HydrophobicContact CG-CD2 3.91Å; E411-Y415 HydrophobicContact CG-CE2 3.49Å; E411-Y415 VanDerWaalsContact CG-CE2 3.49Å; E411-Y415 WeakPolarHBondContact O-CD2 3.39Å; E411-Y415 PolarHBondContact O-N 2.77Å; E411-F570 HydrophobicContact CB-CD2 3.75Å; E411-F570 HydrophobicContact CB-CE2 3.65Å; E411-F570 HydrophobicContact CB-CG 4.25Å; E411-F570 HydrophobicContact CB-CZ 4.04Å; E411-F570 HydrophobicContact CG-CD2 4.28Å; E411-F570 HydrophobicContact CG-CE1 4.11Å; E411-F570 HydrophobicContact CG-CE2 3.72Å; E411-F570 HydrophobicContact CG-CZ 3.61Å |
| 412 | L | 98.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63 | -47.7 | 176 | -173.7 | 60.7 | 0 | 0 | 0 | 111.6 | R341 L344 R345 L348 T376 V380 M408 L409 P410 F414 M416 | R341-L412 HydrophobicContact CB-CD2 4.29Å; R341-L412 HydrophobicContact CG-CD2 4.24Å; L344-L412 HydrophobicContact CB-CD1 4.03Å; R345-L412 HydrophobicContact CB-CD1 4.34Å; R345-L412 HydrophobicContact CG-CB 3.58Å; R345-L412 HydrophobicContact CG-CD1 3.63Å; R345-L412 HydrophobicContact CG-CG 4.08Å; L348-L412 HydrophobicContact CD2-CD1 4.2Å; T376-L412 HydrophobicContact CG2-CD1 3.56Å; T376-L412 HydrophobicContact CG2-CD2 3.93Å; T376-L412 HydrophobicContact CG2-CG 3.56Å; V380-L412 HydrophobicContact CG2-CD2 4.33Å; M408-L412 PolarHBondContact O-N 3.28Å; L409-L412 HydrophobicContact CD1-CD2 4.3Å; L409-L412 WeakPolarHBondContact O-CB 3.46Å; L409-L412 PolarHBondContact O-N 3.49Å; P410-L412 VanDerWaalsContact C-N 3.33Å; P410-L412 PolarHBondContact O-N 3.4Å; L412-F414 VanDerWaalsContact C-N 3.31Å; L412-F414 PolarHBondContact O-N 3.39Å; L412-M416 WeakPolarHBondContact O-CB 3.46Å; L412-M416 PolarHBondContact O-N 3.28Å; L412-M416 VanDerWaalsContact O-N 3.1Å |
| 413 | L | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.1 | -41.3 | 178.4 | -64.7 | 173.9 | 0 | 0 | 0 | 111.1 | V380 L409 P410 M416 V417 L544 Y547 V573 F574 L577 | V380-L413 HydrophobicContact CG1-CD2 3.99Å; V380-L413 HydrophobicContact CG2-CD2 3.86Å; L409-L413 HydrophobicContact CD1-CD2 4.47Å; L409-L413 HydrophobicContact CD1-CG 4.27Å; L409-L413 HydrophobicContact CG-CD1 4.04Å; L409-L413 HydrophobicContact CG-CG 4.15Å; L409-L413 WeakPolarHBondContact O-CG 3.33Å; L409-L413 PolarHBondContact O-N 3.37Å; P410-L413 PolarHBondContact O-N 2.98Å; L413-M416 WeakPolarHBondContact O-CB 3.47Å; L413-M416 PolarHBondContact O-N 3.5Å; L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.01Å; L413-L544 HydrophobicContact CD2-CD1 3.86Å; L413-Y547 HydrophobicContact CD1-CE2 4.22Å; L413-Y547 HydrophobicContact CD2-CE2 4.05Å; L413-V573 HydrophobicContact CB-CG1 4.12Å; L413-V573 HydrophobicContact CB-CG2 4.15Å; L413-F574 HydrophobicContact CD1-CE1 4.46Å; L413-F574 HydrophobicContact CD1-CZ 4.47Å; L413-L577 HydrophobicContact CD1-CD1 4.21Å |
| 414 | F | 98.5 | Very high | 95.9 | Very high | 7 Ų | 7 | 25.5 Ų | 25.5 | 3% | 0.031 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.1 | -55.7 | 179.4 | 175 | -94.5 | 0 | 0 | 0 | 111.4 | P410 E411 L412 M416 V417 E418 F570 V573 Y705 | P410-F414 WeakPolarHBondContact O-CB 3.37Å; P410-F414 PolarHBondContact O-N 2.95Å; E411-F414 PolarHBondContact O-N 2.94Å; L412-F414 VanDerWaalsContact C-N 3.31Å; L412-F414 PolarHBondContact O-N 3.39Å; F414-M416 PolarHBondContact O-N 2.62Å; F414-V417 PolarHBondContact O-N 3.14Å; F414-E418 HydrophobicContact CD1-CG 4.38Å; F414-E418 HydrophobicContact CD2-CG 4.45Å; F414-E418 HydrophobicContact CE1-CG 4.02Å; F414-E418 HydrophobicContact CE2-CG 4.11Å; F414-E418 HydrophobicContact CZ-CG 3.89Å; F414-E418 WeakPolarHBondContact O-CB 3.5Å; F414-E418 WeakPolarHBondContact O-CG 3.42Å; F414-E418 PolarHBondContact O-N 3.18Å; F414-F570 HydrophobicContact CB-CB 4.2Å; F414-F570 HydrophobicContact CB-CD1 3.76Å; F414-F570 HydrophobicContact CB-CG 4.3Å; F414-F570 AromaticContact CD1-CD1 3.64Å; F414-F570 HydrophobicContact CD1-CD1 3.64Å; F414-F570 AromaticContact CD1-CE1 3.81Å; F414-F570 HydrophobicContact CD1-CE1 3.81Å; F414-F570 HydrophobicContact CD2-CD1 4.01Å; F414-F570 HydrophobicContact CE1-CD1 4.2Å; F414-F570 HydrophobicContact CE1-CE1 4.17Å; F414-F570 AromaticContact CG-CD1 3.53Å; F414-F570 HydrophobicContact CG-CD1 3.53Å; F414-F570 HydrophobicContact CG-CE1 4.19Å; F414-F570 HydrophobicContact CG-CG 4.46Å; F414-V573 HydrophobicContact CB-CB 4.41Å; F414-Y705 AromaticContact CE2-CD1 3.98Å; F414-Y705 HydrophobicContact CE2-CD1 3.98Å; F414-Y705 AromaticContact CE2-CE1 3.56Å; F414-Y705 HydrophobicContact CE2-CE1 3.56Å; F414-Y705 HydrophobicContact CE2-CE2 4.22Å; F414-Y705 HydrophobicContact CE2-CG 4.45Å; F414-Y705 AromaticContact CE2-CZ 3.71Å; F414-Y705 HydrophobicContact CZ-CD1 4.48Å; F414-Y705 HydrophobicContact CZ-CD2 4.49Å; F414-Y705 AromaticContact CZ-CE1 3.77Å; F414-Y705 HydrophobicContact CZ-CE1 3.77Å; F414-Y705 AromaticContact CZ-CE2 3.8Å; F414-Y705 HydrophobicContact CZ-CE2 3.8Å; F414-Y705 AromaticContact CZ-CZ 3.39Å; F414-Y705 WeakPolarHBondContact CZ-OH 3.47Å |
| 415 | Y | 98.6 | Very high | 96.4 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 7% | 0.067 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.2 | -26.5 | 179.7 | -67 | -62 | 0 | 0 | 0 | 113.1 | K349 F352 E411 L419 | K349-Y415 HydrophobicContact CB-CD2 3.9Å; K349-Y415 HydrophobicContact CB-CE1 4.3Å; K349-Y415 HydrophobicContact CB-CE2 3.63Å; K349-Y415 HydrophobicContact CB-CG 4.35Å; K349-Y415 HydrophobicContact CD-CE2 3.86Å; K349-Y415 VanDerWaalsContact CE-OH 3.31Å; K349-Y415 WeakPolarHBondContact CE-OH 3.5Å; K349-Y415 HydrophobicContact CG-CD2 4.48Å; K349-Y415 HydrophobicContact CG-CE1 4.08Å; K349-Y415 HydrophobicContact CG-CE2 3.76Å; F352-Y415 HydrophobicContact CB-CD1 3.96Å; F352-Y415 AromaticContact CD1-CD1 3.66Å; F352-Y415 HydrophobicContact CD1-CD1 3.66Å; F352-Y415 AromaticContact CD1-CE1 3.7Å; F352-Y415 HydrophobicContact CD1-CE1 3.7Å; F352-Y415 HydrophobicContact CE1-CD1 4.42Å; F352-Y415 HydrophobicContact CE1-CE1 4.28Å; F352-Y415 AromaticContact CG-CD1 3.94Å; F352-Y415 HydrophobicContact CG-CD1 3.94Å; F352-Y415 HydrophobicContact CG-CE1 4.43Å; E411-Y415 HydrophobicContact CG-CD2 3.91Å; E411-Y415 HydrophobicContact CG-CE2 3.49Å; E411-Y415 VanDerWaalsContact CG-CE2 3.49Å; E411-Y415 WeakPolarHBondContact O-CD2 3.39Å; E411-Y415 PolarHBondContact O-N 2.77Å; Y415-L419 WeakPolarHBondContact O-CB 3.4Å; Y415-L419 PolarHBondContact O-N 2.77Å |
| 416 | M | 98.2 | Very high | 96.9 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66.3 | -47.3 | 173.8 | -176.2 | 179.3 | 173.8 | 0 | 0 | 111.5 | L348 L373 T376 K377 L412 L413 F414 R420 S542 L544 | L348-M416 HydrophobicContact CD2-CB 3.94Å; L373-M416 HydrophobicContact CD2-CG 3.87Å; T376-M416 HydrophobicContact CG2-CB 4.23Å; T376-M416 HydrophobicContact CG2-CG 4.24Å; T376-M416 HydrophobicContact CG2-SD 3.63Å; K377-M416 HydrophobicContact CB-CE 3.69Å; K377-M416 HydrophobicContact CG-CE 4.37Å; L412-M416 WeakPolarHBondContact O-CB 3.46Å; L412-M416 PolarHBondContact O-N 3.28Å; L412-M416 VanDerWaalsContact O-N 3.1Å; L413-M416 WeakPolarHBondContact O-CB 3.47Å; L413-M416 PolarHBondContact O-N 3.5Å; F414-M416 PolarHBondContact O-N 2.62Å; M416-R420 WeakPolarHBondContact O-CB 3.37Å; M416-R420 PolarHBondContact O-N 2.76Å; M416-R420 VanDerWaalsContact O-N 3.16Å; M416-S542 VanDerWaalsContact CE-CA 3.45Å; M416-S542 WeakPolarHBondContact CE-O 3.47Å; M416-L544 HydrophobicContact CE-CD1 4.05Å; M416-L544 HydrophobicContact CE-CD2 3.77Å; M416-L544 HydrophobicContact CE-CG 3.76Å; M416-L544 HydrophobicContact SD-CD1 3.72Å; M416-L544 HydrophobicContact SD-CD2 4Å; M416-L544 HydrophobicContact SD-CG 4.06Å |
| 417 | V | 98.1 | Very high | 97 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.055 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 177 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | L413 F414 R420 G421 L544 V573 L577 | L413-V417 WeakPolarHBondContact O-CG2 3.32Å; L413-V417 PolarHBondContact O-N 3.01Å; F414-V417 PolarHBondContact O-N 3.14Å; V417-R420 WeakPolarHBondContact O-CB 3.38Å; V417-R420 PolarHBondContact O-N 2.84Å; V417-G421 PolarHBondContact O-N 3.41Å; V417-L544 HydrophobicContact CG2-CD1 4.49Å; V417-V573 HydrophobicContact CB-CG2 4.07Å; V417-V573 HydrophobicContact CG2-CG2 3.72Å; V417-L577 HydrophobicContact CG2-CD2 3.76Å; V417-L577 HydrophobicContact CG2-CG 4.41Å |
| 418 | E | 97.9 | Very high | 97.1 | Very high | 34 Ų | 34 | 32.9 Ų | 32.9 | 16% | 0.159 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.4 | -42 | -179.8 | -78.8 | -55.8 | 114.4 | 0 | 0 | 113 | F352 F414 R420 G421 L422 Y705 Y706 | F352-E418 HydrophobicContact CD2-CB 3.82Å; F352-E418 HydrophobicContact CE2-CB 3.56Å; F352-E418 HydrophobicContact CE2-CG 4.26Å; F352-E418 HydrophobicContact CZ-CB 4.07Å; F352-E418 HydrophobicContact CZ-CG 4.31Å; F414-E418 HydrophobicContact CD1-CG 4.38Å; F414-E418 HydrophobicContact CD2-CG 4.45Å; F414-E418 HydrophobicContact CE1-CG 4.02Å; F414-E418 HydrophobicContact CE2-CG 4.11Å; F414-E418 HydrophobicContact CZ-CG 3.89Å; F414-E418 WeakPolarHBondContact O-CB 3.5Å; F414-E418 WeakPolarHBondContact O-CG 3.42Å; F414-E418 PolarHBondContact O-N 3.18Å; E418-R420 VanDerWaalsContact C-N 3.34Å; E418-R420 PolarHBondContact O-N 2.91Å; E418-G421 PolarHBondContact O-N 2.64Å; E418-L422 VanDerWaalsContact O-CB 3.31Å; E418-L422 WeakPolarHBondContact O-CB 3.44Å; E418-L422 PolarHBondContact O-N 3.45Å; E418-Y705 HydrophobicContact CG-CE1 4.33Å; E418-Y705 PolarHBondContact OE2-OH 3.29Å; E418-Y705 VanDerWaalsContact OE2-OH 3.05Å; E418-Y706 WeakPolarHBondContact OE1-CE1 3.46Å; E418-Y706 PolarHBondContact OE1-OH 3.07Å |
| 419 | L | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.1 | -37.4 | 177.9 | -173.7 | 60.2 | 0 | 0 | 0 | 111.8 | L351 L355 V369 L373 Y415 L422 L423 | L351-L419 HydrophobicContact CB-CD2 4.28Å; L351-L419 HydrophobicContact CD1-CD2 4.43Å; L355-L419 HydrophobicContact CD1-CD1 3.85Å; V369-L419 HydrophobicContact CG1-CD1 4Å; V369-L419 HydrophobicContact CG1-CD2 3.77Å; V369-L419 HydrophobicContact CG1-CG 3.63Å; V369-L419 HydrophobicContact CG2-CD1 4.4Å; L373-L419 HydrophobicContact CD2-CB 4.36Å; L373-L419 HydrophobicContact CD2-CD2 4.33Å; L373-L419 HydrophobicContact CG-CD2 4.45Å; Y415-L419 WeakPolarHBondContact O-CB 3.4Å; Y415-L419 PolarHBondContact O-N 2.77Å; L419-L422 HydrophobicContact CD1-CD2 4.44Å; L419-L423 PolarHBondContact O-N 2.97Å |
| 420 | R | 97.2 | Very high | 97 | Very high | 43 Ų | 43 | 32 Ų | 32 | 16% | 0.162 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.9 | -51.2 | 167.7 | 160.5 | 176 | -160.7 | -73 | -4 | 110.9 | M416 V417 E418 L422 L423 L424 V538 N539 S542 | M416-R420 WeakPolarHBondContact O-CB 3.37Å; M416-R420 PolarHBondContact O-N 2.76Å; M416-R420 VanDerWaalsContact O-N 3.16Å; V417-R420 WeakPolarHBondContact O-CB 3.38Å; V417-R420 PolarHBondContact O-N 2.84Å; E418-R420 VanDerWaalsContact C-N 3.34Å; E418-R420 PolarHBondContact O-N 2.91Å; R420-L422 VanDerWaalsContact C-N 3.26Å; R420-L422 PolarHBondContact O-N 3.03Å; R420-L423 PolarHBondContact O-N 3.45Å; R420-L424 HydrophobicContact CG-CD1 4.3Å; R420-L424 WeakPolarHBondContact O-CG 3.5Å; R420-L424 PolarHBondContact O-N 3.21Å; R420-L424 VanDerWaalsContact O-N 3.15Å; R420-V538 HydrophobicContact CB-CG1 4.16Å; R420-V538 HydrophobicContact CG-CG1 3.53Å; R420-N539 PolarHBondContact NH2-OD1 3.2Å; R420-S542 VanDerWaalsContact CD-OG 3.32Å; R420-S542 WeakPolarHBondContact CD-OG 3.44Å |
| 421 | G | 96.1 | Very high | 96.9 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 32% | 0.32 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -59.6 | -38.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V417 E418 L424 R425 | V417-G421 PolarHBondContact O-N 3.41Å; E418-G421 PolarHBondContact O-N 2.64Å; G421-L424 PolarHBondContact O-N 2.84Å; G421-R425 WeakPolarHBondContact O-CB 3.36Å; G421-R425 PolarHBondContact O-N 3.44Å |
| 422 | L | 97.3 | Very high | 96.7 | Very high | 14 Ų | 14 | 38.4 Ų | 38.4 | 7% | 0.073 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.5 | -44.3 | 177.3 | -171.8 | 69.4 | 0 | 0 | 0 | 112.3 | L355 A356 L362 E418 L419 R420 R425 Y426 | L355-L422 HydrophobicContact CB-CD2 3.67Å; A356-L422 HydrophobicContact CB-CD1 4.33Å; A356-L422 HydrophobicContact CB-CD2 4.24Å; L362-L422 HydrophobicContact CD1-CG 4.1Å; L362-L422 HydrophobicContact CD2-CD2 3.99Å; L362-L422 HydrophobicContact CD2-CG 4.21Å; E418-L422 VanDerWaalsContact O-CB 3.31Å; E418-L422 WeakPolarHBondContact O-CB 3.44Å; E418-L422 PolarHBondContact O-N 3.45Å; L419-L422 HydrophobicContact CD1-CD2 4.44Å; R420-L422 VanDerWaalsContact C-N 3.26Å; R420-L422 PolarHBondContact O-N 3.03Å; L422-R425 PolarHBondContact O-N 3.38Å; L422-Y426 HydrophobicContact CD1-CD2 3.66Å; L422-Y426 HydrophobicContact CD1-CE2 3.52Å; L422-Y426 HydrophobicContact CG-CD2 4.26Å; L422-Y426 WeakPolarHBondContact O-CD2 3.35Å; L422-Y426 PolarHBondContact O-N 3.49Å; L422-Y426 VanDerWaalsContact O-N 3.1Å |
| 423 | L | 96.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.1 | -46 | 174.6 | -82.1 | 176.4 | 0 | 0 | 0 | 112 | L362 I366 V369 L373 L419 R420 Y426 A427 V430 V538 | L362-L423 HydrophobicContact CB-CD2 4.33Å; L362-L423 HydrophobicContact CD2-CD2 3.88Å; L362-L423 HydrophobicContact CD2-CG 4.38Å; I366-L423 HydrophobicContact CD1-CD2 3.98Å; I366-L423 HydrophobicContact CG1-CD2 4.16Å; V369-L423 HydrophobicContact CB-CD1 4.33Å; V369-L423 HydrophobicContact CG1-CD1 3.45Å; V369-L423 VanDerWaalsContact CG1-CD1 3.45Å; V369-L423 HydrophobicContact CG1-CG 4.04Å; L373-L423 HydrophobicContact CD1-CD1 4.27Å; L419-L423 PolarHBondContact O-N 2.97Å; R420-L423 PolarHBondContact O-N 3.45Å; L423-Y426 CarbonylContact O-C 3.47Å; L423-Y426 PolarHBondContact O-N 2.94Å; L423-A427 WeakPolarHBondContact O-CA 3.43Å; L423-A427 PolarHBondContact O-N 3.41Å; L423-V430 HydrophobicContact CD2-CG2 4.42Å; L423-V538 HydrophobicContact CB-CG2 4.38Å; L423-V538 HydrophobicContact CD1-CG2 3.96Å |
| 424 | L | 95.8 | Very high | 96.4 | Very high | 45 Ų | 45 | 42 Ų | 42 | 24% | 0.236 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -69 | -40.8 | -179 | -63.6 | -176.1 | 0 | 0 | 0 | 111.9 | R420 G421 Y426 A427 D535 V538 | R420-L424 HydrophobicContact CG-CD1 4.3Å; R420-L424 WeakPolarHBondContact O-CG 3.5Å; R420-L424 PolarHBondContact O-N 3.21Å; R420-L424 VanDerWaalsContact O-N 3.15Å; G421-L424 PolarHBondContact O-N 2.84Å; L424-Y426 VanDerWaalsContact C-N 3.28Å; L424-Y426 PolarHBondContact O-N 3.48Å; L424-A427 WeakPolarHBondContact O-CB 3.34Å; L424-A427 PolarHBondContact O-N 3.01Å; L424-D535 WeakPolarHBondContact CD2-OD1 3.19Å; L424-V538 HydrophobicContact CD2-CB 4.31Å; L424-V538 HydrophobicContact CD2-CG1 4.28Å; L424-V538 HydrophobicContact CD2-CG2 4.23Å; L424-V538 HydrophobicContact CG-CG1 4.34Å |
| 425 | R | 96 | Very high | 96.3 | Very high | 195 Ų | 195 | 41.7 Ų | 41.7 | 74% | 0.736 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.2 | -38 | 176.7 | -179.4 | 176.1 | 179.3 | 173.9 | 0.4 | 112.3 | G421 L422 | G421-R425 WeakPolarHBondContact O-CB 3.36Å; G421-R425 PolarHBondContact O-N 3.44Å; L422-R425 PolarHBondContact O-N 3.38Å |
| 426 | Y | 96.6 | Very high | 96.2 | Very high | 68 Ų | 68 | 44.4 Ų | 44.4 | 27% | 0.267 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 26 | 179.5 | -64.8 | -71.3 | 0 | 0 | 0 | 112.9 | P359 L362 L422 L423 L424 F428 V429 V430 | P359-Y426 HydrophobicContact CB-CD1 4.05Å; P359-Y426 HydrophobicContact CB-CD2 3.8Å; P359-Y426 HydrophobicContact CB-CE1 4.11Å; P359-Y426 HydrophobicContact CB-CE2 3.84Å; P359-Y426 HydrophobicContact CB-CG 3.9Å; P359-Y426 HydrophobicContact CG-CE1 4.24Å; P359-Y426 HydrophobicContact CG-CE2 4.41Å; L362-Y426 HydrophobicContact CD1-CD2 3.91Å; L362-Y426 HydrophobicContact CD1-CG 4.12Å; L422-Y426 HydrophobicContact CD1-CD2 3.66Å; L422-Y426 HydrophobicContact CD1-CE2 3.52Å; L422-Y426 HydrophobicContact CG-CD2 4.26Å; L422-Y426 WeakPolarHBondContact O-CD2 3.35Å; L422-Y426 PolarHBondContact O-N 3.49Å; L422-Y426 VanDerWaalsContact O-N 3.1Å; L423-Y426 CarbonylContact O-C 3.47Å; L423-Y426 PolarHBondContact O-N 2.94Å; L424-Y426 VanDerWaalsContact C-N 3.28Å; L424-Y426 PolarHBondContact O-N 3.48Å; Y426-F428 PolarHBondContact O-N 2.86Å; Y426-F428 VanDerWaalsContact O-N 3.1Å; Y426-V429 HydrophobicContact CD1-CG2 4.31Å; Y426-V429 WeakPolarHBondContact O-CB 3.21Å; Y426-V429 PolarHBondContact O-N 3.46Å; Y426-V430 PolarHBondContact O-N 3.17Å |
| 427 | A | 95.4 | Very high | 96 | Very high | 20 Ų | 20 | 46.5 Ų | 46.5 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -52 | -38.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L423 L424 V429 V430 Q431 L534 | L423-A427 WeakPolarHBondContact O-CA 3.43Å; L423-A427 PolarHBondContact O-N 3.41Å; L424-A427 WeakPolarHBondContact O-CB 3.34Å; L424-A427 PolarHBondContact O-N 3.01Å; A427-V429 VanDerWaalsContact C-N 3.3Å; A427-V429 PolarHBondContact O-N 3.21Å; A427-V430 WeakPolarHBondContact O-CB 3.44Å; A427-V430 PolarHBondContact O-N 3.34Å; A427-V430 VanDerWaalsContact O-N 3.11Å; A427-Q431 VanDerWaalsContact O-CG 3.29Å; A427-Q431 WeakPolarHBondContact O-CG 3.28Å; A427-Q431 PolarHBondContact O-N 2.81Å; A427-L534 HydrophobicContact CB-CD2 3.78Å |
| 428 | F | 93.7 | Very high | 96 | Very high | 104 Ų | 104 | 46.1 Ų | 46.1 | 46% | 0.456 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.4 | -37.1 | 176.5 | -175.8 | -96.1 | 0 | 0 | 0 | 114 | Y426 V430 Q431 R432 F479 | Y426-F428 PolarHBondContact O-N 2.86Å; Y426-F428 VanDerWaalsContact O-N 3.1Å; F428-V430 VanDerWaalsContact C-N 3.33Å; F428-Q431 PolarHBondContact O-N 3.17Å; F428-R432 WeakPolarHBondContact O-CB 3.48Å; F428-R432 PolarHBondContact O-N 3.28Å; F428-F479 HydrophobicContact CE2-CB 3.73Å; F428-F479 HydrophobicContact CE2-CD1 4.2Å; F428-F479 AromaticContact CE2-CG 3.99Å; F428-F479 HydrophobicContact CE2-CG 3.99Å; F428-F479 HydrophobicContact CZ-CB 4.05Å |
| 429 | V | 94.3 | Very high | 95.9 | Very high | 51 Ų | 51 | 46.1 Ų | 46.1 | 31% | 0.309 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 109.8 | Y426 A427 Y433 | Y426-V429 HydrophobicContact CD1-CG2 4.31Å; Y426-V429 WeakPolarHBondContact O-CB 3.21Å; Y426-V429 PolarHBondContact O-N 3.46Å; A427-V429 VanDerWaalsContact C-N 3.3Å; A427-V429 PolarHBondContact O-N 3.21Å; V429-Y433 WeakPolarHBondContact O-CB 3.48Å; V429-Y433 PolarHBondContact O-N 3.38Å |
| 430 | V | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.7 | -50.9 | 176.1 | 178.1 | 0 | 0 | 0 | 0 | 110.7 | L362 A363 I366 L423 Y426 A427 F428 R432 Y433 H434 M530 L534 | L362-V430 HydrophobicContact CB-CG2 4.28Å; A363-V430 HydrophobicContact CB-CB 4.48Å; A363-V430 HydrophobicContact CB-CG2 4.37Å; I366-V430 HydrophobicContact CD1-CG1 3.48Å; I366-V430 VanDerWaalsContact CD1-CG1 3.48Å; I366-V430 HydrophobicContact CD1-CG2 4.2Å; L423-V430 HydrophobicContact CD2-CG2 4.42Å; Y426-V430 PolarHBondContact O-N 3.17Å; A427-V430 WeakPolarHBondContact O-CB 3.44Å; A427-V430 PolarHBondContact O-N 3.34Å; A427-V430 VanDerWaalsContact O-N 3.11Å; F428-V430 VanDerWaalsContact C-N 3.33Å; V430-R432 PolarHBondContact O-N 2.98Å; V430-Y433 PolarHBondContact O-N 2.88Å; V430-H434 PolarHBondContact O-CD2 3.07Å; V430-H434 VanDerWaalsContact O-CD2 3.23Å; V430-H434 PolarHBondContact O-N 3.1Å; V430-M530 HydrophobicContact CG1-CB 3.96Å; V430-L534 HydrophobicContact CB-CD2 4.24Å; V430-L534 HydrophobicContact CG1-CD2 4.16Å |
| 431 | Q | 95.3 | Very high | 95.7 | Very high | 52 Ų | 52 | 52.1 Ų | 52.1 | 24% | 0.243 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -57.3 | -50.5 | 179.9 | -71.7 | 176 | -27.4 | 0 | 0 | 112.3 | A427 F428 Y433 H434 V435 F479 V531 | A427-Q431 VanDerWaalsContact O-CG 3.29Å; A427-Q431 WeakPolarHBondContact O-CG 3.28Å; A427-Q431 PolarHBondContact O-N 2.81Å; F428-Q431 PolarHBondContact O-N 3.17Å; Q431-Y433 VanDerWaalsContact C-N 3.33Å; Q431-Y433 PolarHBondContact O-N 3.4Å; Q431-H434 PolarHBondContact O-N 3.03Å; Q431-V435 WeakPolarHBondContact O-CB 3.43Å; Q431-V435 WeakPolarHBondContact O-CG2 3.25Å; Q431-V435 PolarHBondContact O-N 3.2Å; Q431-F479 HydrophobicContact CB-CE1 4.11Å; Q431-F479 HydrophobicContact CB-CE2 4.42Å; Q431-F479 HydrophobicContact CB-CZ 3.72Å; Q431-V531 WeakPolarHBondContact CG-O 3.42Å; Q431-V531 PolarHBondContact NE2-O 2.81Å |
| 432 | R | 94.4 | Very high | 95.7 | Very high | 115 Ų | 115 | 50.7 Ų | 50.7 | 43% | 0.434 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.1 | -41.5 | -179.3 | 175.2 | 169.5 | 173.9 | 171.2 | -3.9 | 112.4 | F428 V430 T436 V476 | F428-R432 WeakPolarHBondContact O-CB 3.48Å; F428-R432 PolarHBondContact O-N 3.28Å; V430-R432 PolarHBondContact O-N 2.98Å; R432-T436 PolarHBondContact O-N 3.24Å; R432-T436 PolarHBondContact O-OG1 3.13Å; R432-V476 HydrophobicContact CG-CG1 3.72Å; R432-V476 HydrophobicContact CG-CG2 4.29Å |
| 433 | Y | 95.4 | Very high | 95.6 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -50.7 | 177.4 | 179.2 | -89.5 | 0 | 0 | 0 | 111 | V241 A363 P364 V429 V430 Q431 V435 T436 Y437 | V241-Y433 WeakPolarHBondContact CG2-OH 3.49Å; A363-Y433 HydrophobicContact CB-CD1 3.57Å; A363-Y433 HydrophobicContact CB-CD2 4.17Å; A363-Y433 HydrophobicContact CB-CE1 4.41Å; A363-Y433 HydrophobicContact CB-CG 3.44Å; A363-Y433 VanDerWaalsContact CB-CG 3.44Å; P364-Y433 HydrophobicContact CB-CE2 4.42Å; V429-Y433 WeakPolarHBondContact O-CB 3.48Å; V429-Y433 PolarHBondContact O-N 3.38Å; V430-Y433 PolarHBondContact O-N 2.88Å; Q431-Y433 VanDerWaalsContact C-N 3.33Å; Q431-Y433 PolarHBondContact O-N 3.4Å; Y433-V435 PolarHBondContact O-N 2.91Å; Y433-T436 WeakPolarHBondContact O-CB 3.37Å; Y433-T436 PolarHBondContact O-N 3.34Å; Y433-Y437 HydrophobicContact CE1-CD2 4.06Å; Y433-Y437 PolarHBondContact O-N 3.34Å |
| 434 | H | 95.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.4 | -30.7 | -176.7 | -74.4 | -69.1 | 0 | 0 | 0 | 113.6 | V430 Q431 T436 Y437 L438 H527 M530 V531 | V430-H434 PolarHBondContact O-CD2 3.07Å; V430-H434 VanDerWaalsContact O-CD2 3.23Å; V430-H434 PolarHBondContact O-N 3.1Å; Q431-H434 PolarHBondContact O-N 3.03Å; H434-T436 VanDerWaalsContact C-N 3.34Å; H434-Y437 PolarHBondContact O-N 3.37Å; H434-L438 VanDerWaalsContact O-CB 3.29Å; H434-L438 WeakPolarHBondContact O-CB 3.45Å; H434-L438 WeakPolarHBondContact O-CD1 3.15Å; H434-L438 VanDerWaalsContact O-CG 3.22Å; H434-L438 WeakPolarHBondContact O-CG 3.34Å; H434-L438 PolarHBondContact O-N 3.44Å; H434-H527 AromaticContact CE1-CD2 3.64Å; H434-H527 AromaticContact ND1-CD2 3.36Å; H434-H527 PolarHBondContact ND1-CD2 2.95Å; H434-H527 AromaticContact ND1-CG 3.79Å; H434-M530 HydrophobicContact CB-CB 4.18Å; H434-M530 WeakPolarHBondContact CD2-CB 3.29Å; H434-V531 HydrophobicContact CB-CG2 3.87Å |
| 435 | V | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 169.2 | 164 | 0 | 0 | 0 | 0 | 111.1 | Q431 Y433 Y437 L438 S439 L474 V476 F479 Y486 V531 | Q431-V435 WeakPolarHBondContact O-CB 3.43Å; Q431-V435 WeakPolarHBondContact O-CG2 3.25Å; Q431-V435 PolarHBondContact O-N 3.2Å; Y433-V435 PolarHBondContact O-N 2.91Å; V435-Y437 VanDerWaalsContact C-N 3.32Å; V435-Y437 PolarHBondContact O-N 3.31Å; V435-L438 PolarHBondContact O-N 3.49Å; V435-S439 PolarHBondContact O-N 2.8Å; V435-S439 VanDerWaalsContact O-N 3.15Å; V435-S439 PolarHBondContact O-OG 3.11Å; V435-L474 HydrophobicContact CG1-CB 4.11Å; V435-V476 HydrophobicContact CG1-CG2 3.92Å; V435-F479 HydrophobicContact CB-CE2 4.08Å; V435-F479 HydrophobicContact CG1-CE2 4.43Å; V435-F479 HydrophobicContact CG2-CE2 3.66Å; V435-F479 HydrophobicContact CG2-CZ 3.76Å; V435-Y486 HydrophobicContact CG2-CE2 4.07Å; V435-V531 HydrophobicContact CG2-CG1 3.79Å; V435-V531 HydrophobicContact CG2-CG2 3.86Å |
| 436 | T | 95.4 | Very high | 95.6 | Very high | 74 Ų | 74 | 45 Ų | 45 | 45% | 0.454 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.9 | -38.3 | 177.6 | -50.2 | 0 | 0 | 0 | 0 | 111.5 | R432 Y433 H434 G440 V476 | R432-T436 PolarHBondContact O-N 3.24Å; R432-T436 PolarHBondContact O-OG1 3.13Å; Y433-T436 WeakPolarHBondContact O-CB 3.37Å; Y433-T436 PolarHBondContact O-N 3.34Å; H434-T436 VanDerWaalsContact C-N 3.34Å; T436-G440 WeakPolarHBondContact O-CA 3.45Å; T436-G440 PolarHBondContact O-N 3.11Å; T436-V476 VanDerWaalsContact OG1-CG2 3.29Å; T436-V476 WeakPolarHBondContact OG1-CG2 3.49Å |
| 437 | Y | 95.3 | Very high | 95.5 | Very high | 46 Ų | 46 | 44.5 Ų | 44.5 | 18% | 0.18 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.1 | -42.4 | 178 | -156.4 | -77.2 | 0 | 0 | 0 | 111.8 | V241 Y433 H434 V435 Y441 D442 H527 | V241-Y437 HydrophobicContact CG2-CE2 4.13Å; Y433-Y437 HydrophobicContact CE1-CD2 4.06Å; Y433-Y437 PolarHBondContact O-N 3.34Å; H434-Y437 PolarHBondContact O-N 3.37Å; V435-Y437 VanDerWaalsContact C-N 3.32Å; V435-Y437 PolarHBondContact O-N 3.31Å; Y437-Y441 HydrophobicContact CD1-CD1 4.27Å; Y437-Y441 AromaticContact CE1-CD1 3.49Å; Y437-Y441 HydrophobicContact CE1-CD1 3.49Å; Y437-Y441 VanDerWaalsContact CE1-CD1 3.49Å; Y437-Y441 HydrophobicContact CE1-CE1 4.2Å; Y437-Y441 HydrophobicContact CE1-CG 4.14Å; Y437-Y441 AromaticContact CZ-CD1 3.93Å; Y437-Y441 WeakPolarHBondContact O-CA 3.3Å; Y437-Y441 WeakPolarHBondContact O-CB 3.19Å; Y437-Y441 PolarHBondContact O-N 3.12Å; Y437-D442 VanDerWaalsContact CD1-OD1 3.26Å; Y437-D442 WeakPolarHBondContact CD1-OD1 3.49Å; Y437-D442 WeakPolarHBondContact CE1-OD1 3.33Å; Y437-D442 PolarHBondContact O-N 3.23Å; Y437-D442 VanDerWaalsContact O-N 3.11Å; Y437-H527 AromaticContact CD1-CE1 3.43Å; Y437-H527 VanDerWaalsContact CD1-CE1 3.43Å; Y437-H527 WeakPolarHBondContact CD1-CE1 3.38Å; Y437-H527 AromaticContact CD1-ND1 3.58Å; Y437-H527 AromaticContact CE1-CE1 3.36Å; Y437-H527 WeakPolarHBondContact CE1-CE1 3.49Å; Y437-H527 AromaticContact CE1-ND1 3.91Å |
| 438 | L | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -62.5 | -53.3 | -179.9 | -80.1 | 162.3 | 0 | 0 | 0 | 111.9 | H434 V435 D442 A443 I471 L474 H527 L528 V531 | H434-L438 VanDerWaalsContact O-CB 3.29Å; H434-L438 WeakPolarHBondContact O-CB 3.45Å; H434-L438 WeakPolarHBondContact O-CD1 3.15Å; H434-L438 VanDerWaalsContact O-CG 3.22Å; H434-L438 WeakPolarHBondContact O-CG 3.34Å; H434-L438 PolarHBondContact O-N 3.44Å; V435-L438 PolarHBondContact O-N 3.49Å; L438-D442 HydrophobicContact CD2-CB 4.3Å; L438-D442 PolarHBondContact O-N 3.41Å; L438-A443 WeakPolarHBondContact O-CB 3.37Å; L438-A443 PolarHBondContact O-N 3.4Å; L438-I471 HydrophobicContact CD2-CG2 4.39Å; L438-L474 HydrophobicContact CB-CD1 3.89Å; L438-L474 HydrophobicContact CD1-CD1 3.85Å; L438-L474 HydrophobicContact CG-CD1 4.47Å; L438-H527 HydrophobicContact CD1-CB 4.21Å; L438-H527 HydrophobicContact CD2-CB 3.75Å; L438-H527 HydrophobicContact CG-CB 3.83Å; L438-L528 HydrophobicContact CD1-CD2 3.79Å; L438-L528 HydrophobicContact CD1-CG 4.33Å; L438-L528 HydrophobicContact CD2-CD2 4.22Å; L438-L528 HydrophobicContact CD2-CG 4.2Å; L438-V531 HydrophobicContact CD1-CG2 4Å |
| 439 | S | 96.6 | Very high | 95.5 | Very high | 34 Ų | 34 | 48.2 Ų | 48.2 | 24% | 0.238 | 25% | 0.246 | C | C | . | . | I | π-helix | trans | -77.1 | -33.6 | -178.9 | 57.9 | 0 | 0 | 0 | 0 | 113.1 | V435 I471 L474 | V435-S439 PolarHBondContact O-N 2.8Å; V435-S439 VanDerWaalsContact O-N 3.15Å; V435-S439 PolarHBondContact O-OG 3.11Å; S439-I471 WeakPolarHBondContact CA-O 3.23Å; S439-I471 WeakPolarHBondContact CB-O 3.45Å; S439-L474 VanDerWaalsContact CB-O 3.3Å; S439-L474 WeakPolarHBondContact CB-O 3.49Å; S439-L474 PolarHBondContact OG-O 3.4Å; S439-L474 VanDerWaalsContact OG-O 3.1Å |
| 440 | G | 94.7 | Very high | 95.5 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 47% | 0.474 | 23% | 0.234 | S | C | . | . | I | π-helix | trans | -84.9 | -22.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | T436 L444 | T436-G440 WeakPolarHBondContact O-CA 3.45Å; T436-G440 PolarHBondContact O-N 3.11Å; G440-L444 WeakPolarHBondContact O-CD1 3.42Å |
| 441 | Y | 95.5 | Very high | 95.3 | Very high | 124 Ų | 124 | 54.4 Ų | 54.4 | 49% | 0.486 | 27% | 0.271 | S | S | . | . | I | π-helix | trans | -132 | -59.6 | -177.1 | -178.1 | -93.6 | 0 | 0 | 0 | 112.6 | Y437 A443 L444 A445 | Y437-Y441 HydrophobicContact CD1-CD1 4.27Å; Y437-Y441 AromaticContact CE1-CD1 3.49Å; Y437-Y441 HydrophobicContact CE1-CD1 3.49Å; Y437-Y441 VanDerWaalsContact CE1-CD1 3.49Å; Y437-Y441 HydrophobicContact CE1-CE1 4.2Å; Y437-Y441 HydrophobicContact CE1-CG 4.14Å; Y437-Y441 AromaticContact CZ-CD1 3.93Å; Y437-Y441 WeakPolarHBondContact O-CA 3.3Å; Y437-Y441 WeakPolarHBondContact O-CB 3.19Å; Y437-Y441 PolarHBondContact O-N 3.12Å; Y441-A443 VanDerWaalsContact C-N 3.34Å; Y441-A443 PolarHBondContact O-N 2.62Å; Y441-L444 PolarHBondContact O-N 3.34Å; Y441-L444 VanDerWaalsContact O-N 3.15Å; Y441-A445 PolarHBondContact O-N 3.2Å |
| 442 | D | 95.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -59.5 | -44.3 | -173.4 | -75.4 | 14 | 0 | 0 | 0 | 112.1 | Y437 L438 L444 A445 L446 I471 S524 H527 | Y437-D442 VanDerWaalsContact CD1-OD1 3.26Å; Y437-D442 WeakPolarHBondContact CD1-OD1 3.49Å; Y437-D442 WeakPolarHBondContact CE1-OD1 3.33Å; Y437-D442 PolarHBondContact O-N 3.23Å; Y437-D442 VanDerWaalsContact O-N 3.11Å; L438-D442 HydrophobicContact CD2-CB 4.3Å; L438-D442 PolarHBondContact O-N 3.41Å; D442-L444 VanDerWaalsContact C-N 3.33Å; D442-L444 PolarHBondContact O-N 2.87Å; D442-A445 PolarHBondContact O-N 3.13Å; D442-L446 VanDerWaalsContact O-CB 3.27Å; D442-L446 WeakPolarHBondContact O-CB 3.4Å; D442-L446 WeakPolarHBondContact O-CG 3.37Å; D442-L446 PolarHBondContact O-N 3.21Å; D442-I471 HydrophobicContact CB-CD1 4.48Å; D442-S524 WeakPolarHBondContact CB-OG 3.44Å; D442-S524 VanDerWaalsContact CG-OG 3.28Å; D442-S524 WeakPolarHBondContact OD2-CA 3.46Å; D442-S524 WeakPolarHBondContact OD2-CB 3.26Å; D442-S524 PolarHBondContact OD2-OG 3.38Å; D442-H527 IonicContact OD1-CE1 2.87Å; D442-H527 IonicContact OD1-ND1 2.85Å; D442-H527 IonicContact OD2-CE1 3.37Å; D442-H527 IonicContact OD2-CG 2.74Å; D442-H527 IonicContact OD2-ND1 3.92Å; D442-H527 PolarHBondContact OD2-ND1 3.17Å |
| 443 | A | 97 | Very high | 95 | Very high | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L438 Y441 N447 I471 A472 | L438-A443 WeakPolarHBondContact O-CB 3.37Å; L438-A443 PolarHBondContact O-N 3.4Å; Y441-A443 VanDerWaalsContact C-N 3.34Å; Y441-A443 PolarHBondContact O-N 2.62Å; A443-N447 WeakPolarHBondContact O-CB 3.2Å; A443-N447 PolarHBondContact O-N 3.28Å; A443-N447 PolarHBondContact O-ND2 2.75Å; A443-N447 VanDerWaalsContact O-ND2 3.11Å; A443-I471 HydrophobicContact CB-CD1 3.97Å; A443-I471 HydrophobicContact CB-CG1 3.78Å; A443-A472 HydrophobicContact CB-CB 3.91Å |
| 444 | L | 96.5 | Very high | 94.3 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 59% | 0.592 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -69.2 | -47.5 | 179.7 | -60.8 | -179.7 | 0 | 0 | 0 | 110.8 | G440 Y441 D442 L446 N447 E448 | G440-L444 WeakPolarHBondContact O-CD1 3.42Å; Y441-L444 PolarHBondContact O-N 3.34Å; Y441-L444 VanDerWaalsContact O-N 3.15Å; D442-L444 VanDerWaalsContact C-N 3.33Å; D442-L444 PolarHBondContact O-N 2.87Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 3.42Å; L444-N447 PolarHBondContact O-N 3.49Å; L444-E448 PolarHBondContact O-N 3.12Å |
| 445 | A | 95.9 | Very high | 93.8 | Very high | 21 Ų | 21 | 57.9 Ų | 57.9 | 17% | 0.174 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y441 D442 M449 L520 | Y441-A445 PolarHBondContact O-N 3.2Å; D442-A445 PolarHBondContact O-N 3.13Å; A445-M449 VanDerWaalsContact O-CB 3.31Å; A445-M449 WeakPolarHBondContact O-CB 3.48Å; A445-M449 PolarHBondContact O-N 3.32Å; A445-L520 HydrophobicContact CB-CD1 4.18Å; A445-L520 HydrophobicContact CB-CD2 3.79Å |
| 446 | L | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.7 | -44.9 | 177.5 | -81 | 168.8 | 0 | 0 | 0 | 111.4 | D442 L444 E448 M449 L450 F467 I471 L517 L520 M521 S524 | D442-L446 VanDerWaalsContact O-CB 3.27Å; D442-L446 WeakPolarHBondContact O-CB 3.4Å; D442-L446 WeakPolarHBondContact O-CG 3.37Å; D442-L446 PolarHBondContact O-N 3.21Å; L444-L446 VanDerWaalsContact C-N 3.33Å; L444-L446 PolarHBondContact O-N 3.42Å; L446-E448 PolarHBondContact O-N 3.34Å; L446-M449 PolarHBondContact O-N 3.17Å; L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 VanDerWaalsContact O-CG 3.25Å; L446-L450 WeakPolarHBondContact O-CG 3.37Å; L446-L450 PolarHBondContact O-N 3.18Å; L446-F467 HydrophobicContact CD1-CD1 4.21Å; L446-F467 HydrophobicContact CD1-CE1 3.92Å; L446-I471 HydrophobicContact CD1-CD1 3.51Å; L446-L517 HydrophobicContact CD2-CD1 4.1Å; L446-L520 HydrophobicContact CB-CD2 4.33Å; L446-L520 HydrophobicContact CD2-CB 4.19Å; L446-L520 HydrophobicContact CD2-CD2 3.64Å; L446-L520 HydrophobicContact CD2-CG 3.61Å; L446-L520 HydrophobicContact CG-CD2 3.72Å; L446-L520 HydrophobicContact CG-CG 3.77Å; L446-M521 HydrophobicContact CD1-SD 4.17Å; L446-M521 HydrophobicContact CD2-CG 4.02Å; L446-M521 HydrophobicContact CD2-SD 3.49Å; L446-M521 WeakPolarHBondContact CD2-SD 3.37Å; L446-S524 WeakPolarHBondContact CD1-OG 3.29Å |
| 447 | N | 94.8 | Very high | 93.2 | Very high | 57 Ų | 57 | 57.2 Ų | 57.2 | 31% | 0.305 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 176.6 | -83.1 | -37 | 0 | 0 | 0 | 111.9 | A443 L444 L450 Q451 C468 | A443-N447 WeakPolarHBondContact O-CB 3.2Å; A443-N447 PolarHBondContact O-N 3.28Å; A443-N447 PolarHBondContact O-ND2 2.75Å; A443-N447 VanDerWaalsContact O-ND2 3.11Å; L444-N447 PolarHBondContact O-N 3.49Å; N447-L450 PolarHBondContact O-N 3.17Å; N447-Q451 WeakPolarHBondContact O-CB 3.36Å; N447-Q451 VanDerWaalsContact O-CG 3.26Å; N447-Q451 WeakPolarHBondContact O-CG 3.29Å; N447-Q451 PolarHBondContact O-N 2.81Å; N447-C468 WeakPolarHBondContact OD1-CB 3.26Å |
| 448 | E | 95.6 | Very high | 92.7 | Very high | 147 Ų | 147 | 59.5 Ų | 59.5 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.6 | -45.3 | 176.2 | -173.5 | -178.1 | 171.4 | 0 | 0 | 111.6 | L444 L446 L450 Q451 S452 | L444-E448 PolarHBondContact O-N 3.12Å; L446-E448 PolarHBondContact O-N 3.34Å; E448-L450 PolarHBondContact O-N 2.82Å; E448-Q451 PolarHBondContact O-N 2.63Å; E448-S452 PolarHBondContact O-N 3.46Å; E448-S452 VanDerWaalsContact O-N 3.12Å |
| 449 | M | 93.8 | Very high | 92.1 | Very high | 54 Ų | 54 | 64.8 Ų | 64.8 | 27% | 0.266 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 178.5 | -171.2 | 64.9 | 57.2 | 0 | 0 | 111.9 | A445 L446 S452 K516 L517 L520 | A445-M449 VanDerWaalsContact O-CB 3.31Å; A445-M449 WeakPolarHBondContact O-CB 3.48Å; A445-M449 PolarHBondContact O-N 3.32Å; L446-M449 PolarHBondContact O-N 3.17Å; M449-S452 WeakPolarHBondContact O-CB 3.36Å; M449-S452 PolarHBondContact O-N 2.89Å; M449-S452 PolarHBondContact O-OG 3.02Å; M449-K516 HydrophobicContact CE-CB 4.18Å; M449-K516 HydrophobicContact SD-CB 4.41Å; M449-L517 HydrophobicContact CG-CB 4.06Å; M449-L517 HydrophobicContact CG-CD1 3.95Å; M449-L520 HydrophobicContact CB-CD2 4.43Å |
| 450 | L | 93.5 | Very high | 91.8 | Very high | 14 Ų | 14 | 63.5 Ų | 63.5 | 7% | 0.073 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 179.3 | -69.9 | 169.5 | 0 | 0 | 0 | 112 | L446 N447 E448 S452 I453 I456 F464 C468 L517 | L446-L450 WeakPolarHBondContact O-CB 3.44Å; L446-L450 VanDerWaalsContact O-CG 3.25Å; L446-L450 WeakPolarHBondContact O-CG 3.37Å; L446-L450 PolarHBondContact O-N 3.18Å; N447-L450 PolarHBondContact O-N 3.17Å; E448-L450 PolarHBondContact O-N 2.82Å; L450-S452 PolarHBondContact O-N 3.47Å; L450-I453 PolarHBondContact O-N 3.36Å; L450-I456 HydrophobicContact CB-CD1 4.47Å; L450-I456 HydrophobicContact CD2-CD1 3.62Å; L450-F464 HydrophobicContact CD1-CB 3.83Å; L450-F464 HydrophobicContact CD1-CG 4.44Å; L450-F464 HydrophobicContact CD2-CB 3.96Å; L450-F464 HydrophobicContact CD2-CD1 3.97Å; L450-F464 HydrophobicContact CD2-CD2 4.13Å; L450-F464 HydrophobicContact CD2-CE1 4.49Å; L450-F464 HydrophobicContact CD2-CG 3.79Å; L450-C468 WeakPolarHBondContact CD1-SG 2.98Å; L450-L517 HydrophobicContact CD2-CD1 4.06Å; L450-L517 HydrophobicContact CD2-CD2 4.2Å; L450-L517 HydrophobicContact CG-CD1 4.48Å |
| 451 | Q | 91.6 | Very high | 91.6 | Very high | 167 Ų | 167 | 64.3 Ų | 64.3 | 78% | 0.78 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -65.2 | -28.2 | 175.1 | -73.7 | 176.4 | 4.2 | 0 | 0 | 112.9 | N447 E448 I453 | N447-Q451 WeakPolarHBondContact O-CB 3.36Å; N447-Q451 VanDerWaalsContact O-CG 3.26Å; N447-Q451 WeakPolarHBondContact O-CG 3.29Å; N447-Q451 PolarHBondContact O-N 2.81Å; E448-Q451 PolarHBondContact O-N 2.63Å; Q451-I453 PolarHBondContact O-N 3.2Å |
| 452 | S | 92 | Very high | 91.5 | Very high | 86 Ų | 86 | 63.2 Ų | 63.2 | 60% | 0.601 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.8 | 177.4 | 80.9 | 0 | 0 | 0 | 0 | 114 | E448 M449 L450 | E448-S452 PolarHBondContact O-N 3.46Å; E448-S452 VanDerWaalsContact O-N 3.12Å; M449-S452 WeakPolarHBondContact O-CB 3.36Å; M449-S452 PolarHBondContact O-N 2.89Å; M449-S452 PolarHBondContact O-OG 3.02Å; L450-S452 PolarHBondContact O-N 3.47Å |
| 453 | I | 90.8 | Very high | 91.4 | Very high | 22 Ų | 22 | 64.3 Ų | 64.3 | 11% | 0.113 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -93.3 | 116.4 | -176.9 | -62.6 | 171.5 | 0 | 0 | 0 | 109.6 | L450 Q451 S455 I456 F509 L517 | L450-I453 PolarHBondContact O-N 3.36Å; Q451-I453 PolarHBondContact O-N 3.2Å; I453-S455 VanDerWaalsContact C-N 3.31Å; I453-S455 PolarHBondContact O-N 3.04Å; I453-S455 VanDerWaalsContact O-N 3.17Å; I453-I456 HydrophobicContact CB-CD1 4.26Å; I453-I456 HydrophobicContact CB-CG1 4.17Å; I453-I456 HydrophobicContact CD1-CD1 4.4Å; I453-I456 HydrophobicContact CG2-CD1 4.23Å; I453-I456 HydrophobicContact CG2-CG1 3.65Å; I453-F509 HydrophobicContact CD1-CE2 4.2Å; I453-F509 HydrophobicContact CD1-CZ 4.22Å; I453-F509 HydrophobicContact CG2-CD2 4.4Å; I453-F509 HydrophobicContact CG2-CE2 3.76Å; I453-L517 HydrophobicContact CD1-CD2 3.78Å |
| 454 | A | 80.4 | Confident | 91.3 | Very high | 112 Ų | 112 | 64.3 Ų | 64.3 | 93% | 0.926 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -62.3 | -26.2 | -168.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 455 | S | 85.7 | Confident | 91.1 | Very high | 96 Ų | 96 | 61.7 Ų | 61.7 | 67% | 0.671 | 37% | 0.365 | S | S | * | . | trans | -159.4 | 103.9 | 177.7 | 172.1 | 0 | 0 | 0 | 0 | 112 | I453 | I453-S455 VanDerWaalsContact C-N 3.31Å; I453-S455 PolarHBondContact O-N 3.04Å; I453-S455 VanDerWaalsContact O-N 3.17Å | ||
| 456 | I | 89.6 | Confident | 91 | Very high | 24 Ų | 24 | 63.6 Ų | 63.6 | 12% | 0.123 | 38% | 0.377 | C | S | . | . | trans | -97.4 | 129.4 | 168.7 | -55.5 | 176.2 | 0 | 0 | 0 | 108.4 | L450 I453 N461 F464 F509 | L450-I456 HydrophobicContact CB-CD1 4.47Å; L450-I456 HydrophobicContact CD2-CD1 3.62Å; I453-I456 HydrophobicContact CB-CD1 4.26Å; I453-I456 HydrophobicContact CB-CG1 4.17Å; I453-I456 HydrophobicContact CD1-CD1 4.4Å; I453-I456 HydrophobicContact CG2-CD1 4.23Å; I453-I456 HydrophobicContact CG2-CG1 3.65Å; I456-N461 HydrophobicContact CB-CB 4.15Å; I456-N461 HydrophobicContact CG2-CB 3.87Å; I456-F464 HydrophobicContact CG2-CD2 4.11Å; I456-F464 HydrophobicContact CG2-CE2 4.36Å; I456-F509 HydrophobicContact CG1-CD2 4.45Å; I456-F509 HydrophobicContact CG1-CE2 4.17Å | ||
| 457 | P | 88.6 | Confident | 91 | Very high | 36 Ų | 36 | 63.8 Ų | 63.8 | 23% | 0.234 | 38% | 0.378 | C | S | . | . | trans | -53 | 143.3 | 175 | -26.9 | 34 | 0 | 0 | 0 | 112.1 | E459 S460 N461 N508 F509 | P457-E459 VanDerWaalsContact C-N 3.31Å; P457-E459 PolarHBondContact O-N 3.36Å; P457-S460 PolarHBondContact O-N 3.42Å; P457-S460 VanDerWaalsContact O-N 3.1Å; P457-N461 WeakPolarHBondContact O-CB 3.29Å; P457-N461 PolarHBondContact O-N 3.4Å; P457-N508 HydrophobicContact CG-CB 4.06Å; P457-F509 HydrophobicContact CG-CB 3.77Å | ||
| 458 | S | 86.4 | Confident | 91.1 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 66% | 0.657 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -54.5 | -42.9 | -174.9 | 53.6 | 0 | 0 | 0 | 0 | 113.4 | S460 N461 V462 | S458-S460 PolarHBondContact O-N 3.08Å; S458-N461 PolarHBondContact O-N 2.92Å; S458-V462 VanDerWaalsContact O-CG2 3.3Å; S458-V462 WeakPolarHBondContact O-CG2 3.31Å; S458-V462 PolarHBondContact O-N 3.14Å |
| 459 | E | 84.6 | Confident | 91 | Very high | 111 Ų | 111 | 59.1 Ų | 59.1 | 52% | 0.519 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -57.6 | -46.8 | 177.9 | -66.3 | -178.8 | -172.9 | 0 | 0 | 112 | S8 P457 | S8-E459 PolarHBondContact OG-OE2 3.43Å; S8-E459 VanDerWaalsContact OG-OE2 3.08Å; P457-E459 VanDerWaalsContact C-N 3.31Å; P457-E459 PolarHBondContact O-N 3.36Å |
| 460 | S | 89 | Confident | 91.1 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 6% | 0.056 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.7 | -38.4 | 178.8 | -55.5 | 0 | 0 | 0 | 0 | 112.1 | P457 S458 V462 I463 F464 | P457-S460 PolarHBondContact O-N 3.42Å; P457-S460 VanDerWaalsContact O-N 3.1Å; S458-S460 PolarHBondContact O-N 3.08Å; S460-V462 VanDerWaalsContact C-N 3.33Å; S460-V462 PolarHBondContact O-N 3.38Å; S460-I463 PolarHBondContact O-N 2.83Å; S460-F464 WeakPolarHBondContact O-CD2 3.49Å; S460-F464 PolarHBondContact O-N 2.87Å |
| 461 | N | 91.4 | Very high | 91.2 | Very high | 62 Ų | 62 | 58.1 Ų | 58.1 | 33% | 0.332 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | -177.8 | -168.9 | 58.7 | 0 | 0 | 0 | 111.7 | I456 P457 S458 I463 F464 S465 | I456-N461 HydrophobicContact CB-CB 4.15Å; I456-N461 HydrophobicContact CG2-CB 3.87Å; P457-N461 WeakPolarHBondContact O-CB 3.29Å; P457-N461 PolarHBondContact O-N 3.4Å; S458-N461 PolarHBondContact O-N 2.92Å; N461-I463 VanDerWaalsContact C-N 3.32Å; N461-I463 PolarHBondContact O-N 3.11Å; N461-F464 PolarHBondContact O-N 3.12Å; N461-S465 WeakPolarHBondContact O-CB 3.34Å; N461-S465 PolarHBondContact O-N 3.47Å; N461-S465 PolarHBondContact O-OG 3.18Å; N461-S465 VanDerWaalsContact O-OG 3.05Å |
| 462 | V | 92.6 | Very high | 91.4 | Very high | 101 Ų | 101 | 52 Ų | 52 | 61% | 0.612 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.4 | -43.9 | 175.8 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | S458 S460 S466 | S458-V462 VanDerWaalsContact O-CG2 3.3Å; S458-V462 WeakPolarHBondContact O-CG2 3.31Å; S458-V462 PolarHBondContact O-N 3.14Å; S460-V462 VanDerWaalsContact C-N 3.33Å; S460-V462 PolarHBondContact O-N 3.38Å; V462-S466 WeakPolarHBondContact O-CB 3.46Å; V462-S466 PolarHBondContact O-N 3.27Å |
| 463 | I | 93.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 53 Ų | 53 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.3 | -45 | 179 | -55.8 | 174.6 | 0 | 0 | 0 | 110.5 | S460 N461 S466 F467 D494 L498 Y501 | S460-I463 PolarHBondContact O-N 2.83Å; N461-I463 VanDerWaalsContact C-N 3.32Å; N461-I463 PolarHBondContact O-N 3.11Å; I463-S466 PolarHBondContact O-N 3.23Å; I463-F467 WeakPolarHBondContact O-CB 3.37Å; I463-F467 PolarHBondContact O-N 3.01Å; I463-D494 HydrophobicContact CG2-CB 3.62Å; I463-L498 HydrophobicContact CB-CD1 4.04Å; I463-L498 HydrophobicContact CB-CD2 4.08Å; I463-L498 HydrophobicContact CB-CG 4.08Å; I463-L498 HydrophobicContact CD1-CD2 4.31Å; I463-L498 HydrophobicContact CD1-CG 4.38Å; I463-L498 HydrophobicContact CG2-CD1 3.54Å; I463-L498 HydrophobicContact CG2-CD2 4.34Å; I463-L498 HydrophobicContact CG2-CG 3.77Å; I463-Y501 HydrophobicContact CD1-CE2 4.02Å |
| 464 | F | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59.9 | -47.7 | 176.4 | -80 | -58.3 | 0 | 0 | 0 | 112.6 | L450 I456 S460 N461 F467 C468 W495 L498 F509 L517 M521 | L450-F464 HydrophobicContact CD1-CB 3.83Å; L450-F464 HydrophobicContact CD1-CG 4.44Å; L450-F464 HydrophobicContact CD2-CB 3.96Å; L450-F464 HydrophobicContact CD2-CD1 3.97Å; L450-F464 HydrophobicContact CD2-CD2 4.13Å; L450-F464 HydrophobicContact CD2-CE1 4.49Å; L450-F464 HydrophobicContact CD2-CG 3.79Å; I456-F464 HydrophobicContact CG2-CD2 4.11Å; I456-F464 HydrophobicContact CG2-CE2 4.36Å; S460-F464 WeakPolarHBondContact O-CD2 3.49Å; S460-F464 PolarHBondContact O-N 2.87Å; N461-F464 PolarHBondContact O-N 3.12Å; F464-F467 PolarHBondContact O-N 3.4Å; F464-C468 PolarHBondContact O-N 3.03Å; F464-C468 PolarHBondContact O-SG 3.17Å; F464-W495 HydrophobicContact CE1-CZ3 4.23Å; F464-L498 HydrophobicContact CD1-CD1 3.69Å; F464-L498 HydrophobicContact CD2-CD1 4.4Å; F464-L498 HydrophobicContact CD2-CD2 4.06Å; F464-L498 HydrophobicContact CE1-CD1 3.64Å; F464-L498 HydrophobicContact CE2-CD1 4.36Å; F464-L498 HydrophobicContact CE2-CD2 3.8Å; F464-L498 HydrophobicContact CG-CD1 4.08Å; F464-L498 HydrophobicContact CZ-CD1 3.98Å; F464-L498 HydrophobicContact CZ-CD2 4.04Å; F464-L498 HydrophobicContact CZ-CG 4.46Å; F464-F509 AromaticContact CE2-CE1 3.88Å; F464-F509 HydrophobicContact CE2-CE1 3.88Å; F464-F509 HydrophobicContact CZ-CE1 4.2Å; F464-L517 HydrophobicContact CE1-CD2 4.33Å; F464-L517 HydrophobicContact CZ-CD2 4.12Å; F464-M521 HydrophobicContact CD1-CE 4.43Å; F464-M521 HydrophobicContact CD1-SD 4.3Å; F464-M521 HydrophobicContact CE1-CE 4.31Å; F464-M521 HydrophobicContact CE1-CG 4.3Å; F464-M521 HydrophobicContact CE1-SD 4.21Å |
| 465 | S | 92.7 | Very high | 92.2 | Very high | 58 Ų | 58 | 49.4 Ų | 49.4 | 41% | 0.406 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.9 | -61 | 0 | 0 | 0 | 0 | 111.8 | N461 F467 C468 Q469 | N461-S465 WeakPolarHBondContact O-CB 3.34Å; N461-S465 PolarHBondContact O-N 3.47Å; N461-S465 PolarHBondContact O-OG 3.18Å; N461-S465 VanDerWaalsContact O-OG 3.05Å; S465-F467 VanDerWaalsContact C-N 3.34Å; S465-F467 PolarHBondContact O-N 3.1Å; S465-C468 PolarHBondContact O-N 3.34Å; S465-Q469 WeakPolarHBondContact O-CB 3.42Å; S465-Q469 PolarHBondContact O-N 3.42Å |
| 466 | S | 94.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 43% | 0.427 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.2 | -41.9 | 175.1 | -172 | 0 | 0 | 0 | 0 | 111.8 | V462 I463 T470 | V462-S466 WeakPolarHBondContact O-CB 3.46Å; V462-S466 PolarHBondContact O-N 3.27Å; I463-S466 PolarHBondContact O-N 3.23Å; S466-T470 WeakPolarHBondContact O-CB 3.29Å; S466-T470 PolarHBondContact O-N 3.46Å; S466-T470 PolarHBondContact O-OG1 2.88Å |
| 467 | F | 95.9 | Very high | 91.9 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.5 | -51.4 | 175.8 | -173.4 | -83.2 | 0 | 0 | 0 | 110.6 | L446 I463 F464 S465 Q469 T470 I471 L491 M521 V525 L528 | L446-F467 HydrophobicContact CD1-CD1 4.21Å; L446-F467 HydrophobicContact CD1-CE1 3.92Å; I463-F467 WeakPolarHBondContact O-CB 3.37Å; I463-F467 PolarHBondContact O-N 3.01Å; F464-F467 PolarHBondContact O-N 3.4Å; S465-F467 VanDerWaalsContact C-N 3.34Å; S465-F467 PolarHBondContact O-N 3.1Å; F467-Q469 PolarHBondContact O-N 3.12Å; F467-T470 PolarHBondContact O-N 3.4Å; F467-I471 HydrophobicContact CD1-CD1 4.18Å; F467-I471 HydrophobicContact CD1-CG2 4.47Å; F467-I471 HydrophobicContact CE1-CD1 4.01Å; F467-I471 HydrophobicContact CE1-CG2 4.17Å; F467-I471 WeakPolarHBondContact O-CG1 3.49Å; F467-I471 PolarHBondContact O-N 2.82Å; F467-I471 VanDerWaalsContact O-N 3.1Å; F467-L491 HydrophobicContact CD2-CB 4.16Å; F467-L491 HydrophobicContact CD2-CD2 4.17Å; F467-L491 HydrophobicContact CD2-CG 4.25Å; F467-L491 HydrophobicContact CE2-CB 4.12Å; F467-L491 HydrophobicContact CE2-CD2 4.29Å; F467-M521 HydrophobicContact CD1-CE 3.99Å; F467-M521 HydrophobicContact CD1-SD 4.26Å; F467-M521 HydrophobicContact CD2-CE 4.23Å; F467-M521 HydrophobicContact CE1-CE 3.93Å; F467-M521 HydrophobicContact CE1-SD 4.18Å; F467-M521 HydrophobicContact CE2-CE 4.17Å; F467-M521 HydrophobicContact CG-CE 4.14Å; F467-M521 HydrophobicContact CZ-CE 4.03Å; F467-V525 HydrophobicContact CE2-CG2 4.23Å; F467-V525 HydrophobicContact CZ-CG2 4.05Å; F467-L528 HydrophobicContact CE2-CD1 3.78Å; F467-L528 HydrophobicContact CZ-CD1 3.63Å |
| 468 | C | 95.2 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -41.9 | -179.8 | -64.9 | 0 | 0 | 0 | 0 | 112.7 | N447 L450 F464 S465 I471 A472 | N447-C468 WeakPolarHBondContact OD1-CB 3.26Å; L450-C468 WeakPolarHBondContact CD1-SG 2.98Å; F464-C468 PolarHBondContact O-N 3.03Å; F464-C468 PolarHBondContact O-SG 3.17Å; S465-C468 PolarHBondContact O-N 3.34Å; C468-I471 WeakPolarHBondContact O-CG1 3.49Å; C468-A472 VanDerWaalsContact O-CB 3.28Å; C468-A472 WeakPolarHBondContact O-CB 3.38Å; C468-A472 PolarHBondContact O-N 3.14Å |
| 469 | Q | 95 | Very high | 91.2 | Very high | 105 Ų | 105 | 46 Ų | 46 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 177.7 | -173.2 | 59.2 | 49.1 | 0 | 0 | 110.9 | S465 F467 I471 A472 D473 | S465-Q469 WeakPolarHBondContact O-CB 3.42Å; S465-Q469 PolarHBondContact O-N 3.42Å; F467-Q469 PolarHBondContact O-N 3.12Å; Q469-I471 VanDerWaalsContact C-N 3.34Å; Q469-I471 PolarHBondContact O-N 3.33Å; Q469-A472 PolarHBondContact O-N 3.26Å; Q469-D473 PolarHBondContact NE2-OD1 3.37Å; Q469-D473 PolarHBondContact NE2-OD2 2.81Å; Q469-D473 VanDerWaalsContact O-CG 3.26Å; Q469-D473 PolarHBondContact O-N 2.92Å |
| 470 | T | 95.3 | Very high | 90.6 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 29% | 0.288 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | -179.4 | -52.1 | 0 | 0 | 0 | 0 | 111.9 | S466 F467 L474 L491 | S466-T470 WeakPolarHBondContact O-CB 3.29Å; S466-T470 PolarHBondContact O-N 3.46Å; S466-T470 PolarHBondContact O-OG1 2.88Å; F467-T470 PolarHBondContact O-N 3.4Å; T470-L474 WeakPolarHBondContact O-CG 3.4Å; T470-L491 HydrophobicContact CG2-CD1 4.05Å; T470-L491 HydrophobicContact CG2-CD2 3.79Å; T470-L491 HydrophobicContact CG2-CG 4.45Å |
| 471 | I | 96.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -72.7 | -31 | 177.2 | 62.5 | 174.4 | 0 | 0 | 0 | 112.7 | L438 S439 D442 A443 L446 F467 C468 Q469 D473 L474 L491 L528 | L438-I471 HydrophobicContact CD2-CG2 4.39Å; S439-I471 WeakPolarHBondContact CA-O 3.23Å; S439-I471 WeakPolarHBondContact CB-O 3.45Å; D442-I471 HydrophobicContact CB-CD1 4.48Å; A443-I471 HydrophobicContact CB-CD1 3.97Å; A443-I471 HydrophobicContact CB-CG1 3.78Å; L446-I471 HydrophobicContact CD1-CD1 3.51Å; F467-I471 HydrophobicContact CD1-CD1 4.18Å; F467-I471 HydrophobicContact CD1-CG2 4.47Å; F467-I471 HydrophobicContact CE1-CD1 4.01Å; F467-I471 HydrophobicContact CE1-CG2 4.17Å; F467-I471 WeakPolarHBondContact O-CG1 3.49Å; F467-I471 PolarHBondContact O-N 2.82Å; F467-I471 VanDerWaalsContact O-N 3.1Å; C468-I471 WeakPolarHBondContact O-CG1 3.49Å; Q469-I471 VanDerWaalsContact C-N 3.34Å; Q469-I471 PolarHBondContact O-N 3.33Å; I471-D473 VanDerWaalsContact C-N 3.32Å; I471-L474 HydrophobicContact CB-CD1 4.38Å; I471-L474 WeakPolarHBondContact O-CG 3.28Å; I471-L474 PolarHBondContact O-N 3.26Å; I471-L491 HydrophobicContact CG2-CD2 4.34Å; I471-L528 HydrophobicContact CG2-CD2 4.09Å |
| 472 | A | 95.8 | Very high | 88.7 | Confident | 38 Ų | 38 | 60 Ų | 60 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -67.5 | -33.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A443 C468 Q469 L474 | A443-A472 HydrophobicContact CB-CB 3.91Å; C468-A472 VanDerWaalsContact O-CB 3.28Å; C468-A472 WeakPolarHBondContact O-CB 3.38Å; C468-A472 PolarHBondContact O-N 3.14Å; Q469-A472 PolarHBondContact O-N 3.26Å; A472-L474 VanDerWaalsContact C-N 3.26Å; A472-L474 PolarHBondContact O-N 2.83Å |
| 473 | D | 94.3 | Very high | 87.9 | Confident | 107 Ų | 107 | 57.7 Ų | 57.7 | 57% | 0.572 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -4.1 | -178.9 | -66.7 | -26.2 | 0 | 0 | 0 | 113.4 | Q469 I471 S475 | Q469-D473 PolarHBondContact NE2-OD1 3.37Å; Q469-D473 PolarHBondContact NE2-OD2 2.81Å; Q469-D473 VanDerWaalsContact O-CG 3.26Å; Q469-D473 PolarHBondContact O-N 2.92Å; I471-D473 VanDerWaalsContact C-N 3.32Å; D473-S475 PolarHBondContact O-N 3.47Å |
| 474 | L | 93.6 | Very high | 87.4 | Confident | 14 Ų | 14 | 60.5 Ų | 60.5 | 7% | 0.073 | 34% | 0.344 | C | S | . | . | trans | -66.8 | 131.9 | 179 | -61.4 | 178.2 | 0 | 0 | 0 | 111.8 | V435 L438 S439 T470 I471 A472 Y486 F488 | V435-L474 HydrophobicContact CG1-CB 4.11Å; L438-L474 HydrophobicContact CB-CD1 3.89Å; L438-L474 HydrophobicContact CD1-CD1 3.85Å; L438-L474 HydrophobicContact CG-CD1 4.47Å; S439-L474 VanDerWaalsContact CB-O 3.3Å; S439-L474 WeakPolarHBondContact CB-O 3.49Å; S439-L474 PolarHBondContact OG-O 3.4Å; S439-L474 VanDerWaalsContact OG-O 3.1Å; T470-L474 WeakPolarHBondContact O-CG 3.4Å; I471-L474 HydrophobicContact CB-CD1 4.38Å; I471-L474 WeakPolarHBondContact O-CG 3.28Å; I471-L474 PolarHBondContact O-N 3.26Å; A472-L474 VanDerWaalsContact C-N 3.26Å; A472-L474 PolarHBondContact O-N 2.83Å; L474-Y486 HydrophobicContact CD2-CD1 4.09Å; L474-Y486 HydrophobicContact CD2-CE1 3.55Å; L474-F488 HydrophobicContact CD1-CZ 4.09Å; L474-F488 HydrophobicContact CD2-CE1 3.79Å; L474-F488 HydrophobicContact CD2-CZ 3.52Å; L474-F488 HydrophobicContact CG-CZ 4.47Å | ||
| 475 | S | 90.9 | Very high | 87 | Confident | 45 Ų | 45 | 66.3 Ų | 66.3 | 32% | 0.315 | 38% | 0.382 | S | S | . | . | trans | -130.4 | 139.7 | -179.2 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | D473 S477 D478 Y486 | D473-S475 PolarHBondContact O-N 3.47Å; S475-S477 WeakPolarHBondContact CB-OG 3.42Å; S475-S477 PolarHBondContact O-N 3.45Å; S475-S477 WeakPolarHBondContact OG-CB 3.4Å; S475-S477 PolarHBondContact OG-N 3.34Å; S475-S477 VanDerWaalsContact OG-N 3.13Å; S475-S477 PolarHBondContact OG-OG 3.13Å; S475-D478 PolarHBondContact O-N 3.47Å; S475-Y486 PolarHBondContact N-OH 2.97Å; S475-Y486 PolarHBondContact O-OH 3.02Å | ||
| 476 | V | 86.2 | Confident | 86.9 | Confident | 33 Ų | 33 | 65.6 Ų | 65.6 | 20% | 0.2 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.9 | 171.6 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | R432 V435 T436 D478 F479 | R432-V476 HydrophobicContact CG-CG1 3.72Å; R432-V476 HydrophobicContact CG-CG2 4.29Å; V435-V476 HydrophobicContact CG1-CG2 3.92Å; T436-V476 VanDerWaalsContact OG1-CG2 3.29Å; T436-V476 WeakPolarHBondContact OG1-CG2 3.49Å; V476-D478 PolarHBondContact O-N 2.71Å; V476-F479 HydrophobicContact CG1-CD2 4.45Å |
| 477 | S | 83 | Confident | 86.9 | Confident | 50 Ų | 50 | 66.6 Ų | 66.6 | 35% | 0.35 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.1 | 176 | 55 | 0 | 0 | 0 | 0 | 113.1 | S475 F479 R480 | S475-S477 WeakPolarHBondContact CB-OG 3.42Å; S475-S477 PolarHBondContact O-N 3.45Å; S475-S477 WeakPolarHBondContact OG-CB 3.4Å; S475-S477 PolarHBondContact OG-N 3.34Å; S475-S477 VanDerWaalsContact OG-N 3.13Å; S475-S477 PolarHBondContact OG-OG 3.13Å; S477-F479 VanDerWaalsContact C-N 3.27Å; S477-F479 PolarHBondContact O-N 3.06Å; S477-R480 WeakPolarHBondContact O-CB 3.42Å; S477-R480 PolarHBondContact O-N 3.31Å |
| 478 | D | 80.7 | Confident | 86.9 | Confident | 48 Ų | 48 | 66.8 Ų | 66.8 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -67.5 | -36.5 | -169.5 | -60.2 | -7.6 | 0 | 0 | 0 | 110 | S475 V476 R480 N481 S483 Y486 | S475-D478 PolarHBondContact O-N 3.47Å; V476-D478 PolarHBondContact O-N 2.71Å; D478-R480 PolarHBondContact O-N 2.97Å; D478-N481 PolarHBondContact O-N 2.93Å; D478-N481 VanDerWaalsContact O-N 3.13Å; D478-S483 VanDerWaalsContact C-OG 3.25Å; D478-S483 PolarHBondContact O-OG 3.33Å; D478-Y486 HydrophobicContact CB-CE2 4.47Å; D478-Y486 PolarHBondContact OD2-OH 2.87Å |
| 479 | F | 79.1 | Confident | 86.9 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 21% | 0.206 | 40% | 0.401 | C | S | . | . | G | 310 helix | trans | -59.5 | -17.3 | 171.8 | -67.2 | -54.3 | 0 | 0 | 0 | 115.7 | F428 Q431 V435 V476 S477 Y486 V531 | F428-F479 HydrophobicContact CE2-CB 3.73Å; F428-F479 HydrophobicContact CE2-CD1 4.2Å; F428-F479 AromaticContact CE2-CG 3.99Å; F428-F479 HydrophobicContact CE2-CG 3.99Å; F428-F479 HydrophobicContact CZ-CB 4.05Å; Q431-F479 HydrophobicContact CB-CE1 4.11Å; Q431-F479 HydrophobicContact CB-CE2 4.42Å; Q431-F479 HydrophobicContact CB-CZ 3.72Å; V435-F479 HydrophobicContact CB-CE2 4.08Å; V435-F479 HydrophobicContact CG1-CE2 4.43Å; V435-F479 HydrophobicContact CG2-CE2 3.66Å; V435-F479 HydrophobicContact CG2-CZ 3.76Å; V476-F479 HydrophobicContact CG1-CD2 4.45Å; S477-F479 VanDerWaalsContact C-N 3.27Å; S477-F479 PolarHBondContact O-N 3.06Å; F479-Y486 AromaticContact CE1-CD2 3.98Å; F479-Y486 HydrophobicContact CE1-CD2 3.98Å; F479-Y486 AromaticContact CE1-CE2 3.9Å; F479-Y486 HydrophobicContact CE1-CE2 3.9Å; F479-Y486 HydrophobicContact CE2-CE2 4.13Å; F479-Y486 AromaticContact CZ-CD2 3.92Å; F479-Y486 HydrophobicContact CZ-CD2 3.92Å; F479-Y486 AromaticContact CZ-CE2 3.62Å; F479-Y486 HydrophobicContact CZ-CE2 3.62Å; F479-V531 HydrophobicContact CZ-CG1 4.38Å |
| 480 | R | 72.8 | Confident | 86.9 | Confident | 191 Ų | 191 | 71.7 Ų | 71.7 | 72% | 0.721 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -93.5 | -19.8 | 179.1 | -63.8 | -175.8 | 176.1 | -152.3 | -1.2 | 113.4 | S477 D478 | S477-R480 WeakPolarHBondContact O-CB 3.42Å; S477-R480 PolarHBondContact O-N 3.31Å; D478-R480 PolarHBondContact O-N 2.97Å |
| 481 | N | 71 | Confident | 87 | Confident | 116 Ų | 116 | 70.6 Ų | 70.6 | 62% | 0.62 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.3 | 21.4 | -163.3 | -70.4 | -17.5 | 0 | 0 | 0 | 113.4 | D478 S483 | D478-N481 PolarHBondContact O-N 2.93Å; D478-N481 VanDerWaalsContact O-N 3.13Å; N481-S483 PolarHBondContact O-N 3.15Å |
| 482 | D | 68.4 | Low | 87 | Confident | 169 Ų | 169 | 71 Ų | 71 | 90% | 0.904 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 34.3 | -170.7 | -73.4 | -26 | 0 | 0 | 0 | 112.4 | ||
| 483 | S | 76.1 | Confident | 87 | Confident | 52 Ų | 52 | 71.5 Ų | 71.5 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 155.7 | 178.4 | 65.9 | 0 | 0 | 0 | 0 | 110.2 | D478 N481 | D478-S483 VanDerWaalsContact C-OG 3.25Å; D478-S483 PolarHBondContact O-OG 3.33Å; N481-S483 PolarHBondContact O-N 3.15Å |
| 484 | A | 82.5 | Confident | 87.1 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 69% | 0.686 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -51.8 | 140.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y486 | A484-Y486 PolarHBondContact O-N 3.13Š|
| 485 | P | 86.3 | Confident | 87.2 | Confident | 122 Ų | 122 | 67.5 Ų | 67.5 | 79% | 0.792 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -58.5 | 142.6 | 175.8 | 25.8 | -33.7 | 0 | 0 | 0 | 109.3 | D487 | P485-D487 PolarHBondContact O-N 3.06Š|
| 486 | Y | 92.1 | Very high | 87.5 | Confident | 43 Ų | 43 | 67.1 Ų | 67.1 | 17% | 0.169 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -56 | 139.5 | 174.2 | -71.8 | -69.5 | 0 | 0 | 0 | 110.8 | V435 L474 S475 D478 F479 A484 F488 V531 D532 | V435-Y486 HydrophobicContact CG2-CE2 4.07Å; L474-Y486 HydrophobicContact CD2-CD1 4.09Å; L474-Y486 HydrophobicContact CD2-CE1 3.55Å; S475-Y486 PolarHBondContact N-OH 2.97Å; S475-Y486 PolarHBondContact O-OH 3.02Å; D478-Y486 HydrophobicContact CB-CE2 4.47Å; D478-Y486 PolarHBondContact OD2-OH 2.87Å; F479-Y486 AromaticContact CE1-CD2 3.98Å; F479-Y486 HydrophobicContact CE1-CD2 3.98Å; F479-Y486 AromaticContact CE1-CE2 3.9Å; F479-Y486 HydrophobicContact CE1-CE2 3.9Å; F479-Y486 HydrophobicContact CE2-CE2 4.13Å; F479-Y486 AromaticContact CZ-CD2 3.92Å; F479-Y486 HydrophobicContact CZ-CD2 3.92Å; F479-Y486 AromaticContact CZ-CE2 3.62Å; F479-Y486 HydrophobicContact CZ-CE2 3.62Å; A484-Y486 PolarHBondContact O-N 3.13Å; Y486-F488 AromaticContact CD1-CE1 3.96Å; Y486-F488 HydrophobicContact CD1-CE1 3.96Å; Y486-F488 HydrophobicContact CD1-CE2 4.25Å; Y486-F488 AromaticContact CD1-CZ 3.42Å; Y486-F488 HydrophobicContact CD1-CZ 3.42Å; Y486-F488 VanDerWaalsContact CD1-CZ 3.42Å; Y486-F488 HydrophobicContact CE1-CZ 4.15Å; Y486-F488 HydrophobicContact CG-CE2 4.04Å; Y486-F488 AromaticContact CG-CZ 3.67Å; Y486-F488 HydrophobicContact CG-CZ 3.67Å; Y486-V531 HydrophobicContact CD2-CG1 3.74Å; Y486-V531 HydrophobicContact CE2-CG1 4.47Å; Y486-V531 HydrophobicContact CG-CG1 4.16Å; Y486-D532 WeakPolarHBondContact O-CB 3.09Å |
| 487 | D | 93.9 | Very high | 87.9 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 44% | 0.444 | 36% | 0.363 | S | S | . | . | trans | -136 | 105.4 | 173 | -179.8 | 1.9 | 0 | 0 | 0 | 109.4 | P485 R489 | P485-D487 PolarHBondContact O-N 3.06Å; D487-R489 VanDerWaalsContact OD1-CB 3.29Å; D487-R489 WeakPolarHBondContact OD1-CB 3.5Å; D487-R489 WeakPolarHBondContact OD1-CG 3.34Å; D487-R489 IonicContact OD1-CZ 2.71Å; D487-R489 PolarHBondContact OD1-N 3.35Å; D487-R489 IonicContact OD1-NE 2.68Å; D487-R489 PolarHBondContact OD1-NE 3.23Å; D487-R489 IonicContact OD1-NH2 2.66Å; D487-R489 IonicContact OD2-CZ 3.02Å; D487-R489 VanDerWaalsContact OD2-CZ 3.3Å; D487-R489 IonicContact OD2-NE 3.48Å; D487-R489 PolarHBondContact OD2-NE 3.03Å; D487-R489 VanDerWaalsContact OD2-NE 3.11Å; D487-R489 IonicContact OD2-NH2 3.29Å; D487-R489 PolarHBondContact OD2-NH2 2.79Å | ||
| 488 | F | 96.4 | Very high | 88.5 | Confident | 8 Ų | 8 | 66.4 Ų | 66.4 | 4% | 0.035 | 35% | 0.347 | C | S | . | . | trans | -105.9 | 18 | -177.9 | -54.9 | -54.6 | 0 | 0 | 0 | 112.4 | L474 Y486 G490 L491 R492 L528 V531 D532 | L474-F488 HydrophobicContact CD1-CZ 4.09Å; L474-F488 HydrophobicContact CD2-CE1 3.79Å; L474-F488 HydrophobicContact CD2-CZ 3.52Å; L474-F488 HydrophobicContact CG-CZ 4.47Å; Y486-F488 AromaticContact CD1-CE1 3.96Å; Y486-F488 HydrophobicContact CD1-CE1 3.96Å; Y486-F488 HydrophobicContact CD1-CE2 4.25Å; Y486-F488 AromaticContact CD1-CZ 3.42Å; Y486-F488 HydrophobicContact CD1-CZ 3.42Å; Y486-F488 VanDerWaalsContact CD1-CZ 3.42Å; Y486-F488 HydrophobicContact CE1-CZ 4.15Å; Y486-F488 HydrophobicContact CG-CE2 4.04Å; Y486-F488 AromaticContact CG-CZ 3.67Å; Y486-F488 HydrophobicContact CG-CZ 3.67Å; F488-G490 PolarHBondContact O-N 3.03Å; F488-L491 HydrophobicContact CB-CB 4.37Å; F488-L491 HydrophobicContact CD1-CD1 4.35Å; F488-L491 HydrophobicContact CD1-CD2 4.23Å; F488-L491 PolarHBondContact O-N 3.01Å; F488-L491 VanDerWaalsContact O-N 3.16Å; F488-R492 PolarHBondContact O-N 3.25Å; F488-L528 HydrophobicContact CB-CD2 4.31Å; F488-L528 HydrophobicContact CD1-CD2 4.19Å; F488-L528 HydrophobicContact CD2-CB 4.27Å; F488-L528 HydrophobicContact CD2-CD2 3.59Å; F488-L528 HydrophobicContact CE1-CD2 4.41Å; F488-L528 HydrophobicContact CE2-CD2 3.83Å; F488-L528 HydrophobicContact CG-CD2 3.78Å; F488-L528 HydrophobicContact CZ-CD2 4.24Å; F488-V531 HydrophobicContact CE2-CB 3.97Å; F488-V531 HydrophobicContact CE2-CG1 3.81Å; F488-D532 WeakPolarHBondContact CA-OD2 3.49Å; F488-D532 HydrophobicContact CD2-CB 4.03Å; F488-D532 WeakPolarHBondContact CD2-OD1 3.27Å; F488-D532 PolarHBondContact N-OD2 2.97Å | ||
| 489 | R | 95.8 | Very high | 89.2 | Confident | 166 Ų | 166 | 64.1 Ų | 64.1 | 63% | 0.626 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -56.6 | -39.6 | 174.7 | -71.1 | 178.5 | -66.2 | 174.3 | -0.8 | 111.8 | D487 R492 L493 | D487-R489 VanDerWaalsContact OD1-CB 3.29Å; D487-R489 WeakPolarHBondContact OD1-CB 3.5Å; D487-R489 WeakPolarHBondContact OD1-CG 3.34Å; D487-R489 IonicContact OD1-CZ 2.71Å; D487-R489 PolarHBondContact OD1-N 3.35Å; D487-R489 IonicContact OD1-NE 2.68Å; D487-R489 PolarHBondContact OD1-NE 3.23Å; D487-R489 IonicContact OD1-NH2 2.66Å; D487-R489 IonicContact OD2-CZ 3.02Å; D487-R489 VanDerWaalsContact OD2-CZ 3.3Å; D487-R489 IonicContact OD2-NE 3.48Å; D487-R489 PolarHBondContact OD2-NE 3.03Å; D487-R489 VanDerWaalsContact OD2-NE 3.11Å; D487-R489 IonicContact OD2-NH2 3.29Å; D487-R489 PolarHBondContact OD2-NH2 2.79Å; R489-R492 PolarHBondContact O-N 3.12Å; R489-L493 WeakPolarHBondContact O-CB 3.39Å; R489-L493 PolarHBondContact O-N 3.02Å |
| 490 | G | 95.3 | Very high | 90 | Very high | 43 Ų | 43 | 61.9 Ų | 61.9 | 44% | 0.443 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60 | -48.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | F488 R492 L493 D494 | F488-G490 PolarHBondContact O-N 3.03Å; G490-R492 PolarHBondContact O-N 3.07Å; G490-L493 PolarHBondContact O-N 3.06Å; G490-D494 PolarHBondContact O-N 2.72Å |
| 491 | L | 95.7 | Very high | 90.9 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 13% | 0.131 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 179.4 | -83.9 | 73.5 | 0 | 0 | 0 | 112.2 | F467 T470 I471 F488 D494 W495 L528 | F467-L491 HydrophobicContact CD2-CB 4.16Å; F467-L491 HydrophobicContact CD2-CD2 4.17Å; F467-L491 HydrophobicContact CD2-CG 4.25Å; F467-L491 HydrophobicContact CE2-CB 4.12Å; F467-L491 HydrophobicContact CE2-CD2 4.29Å; T470-L491 HydrophobicContact CG2-CD1 4.05Å; T470-L491 HydrophobicContact CG2-CD2 3.79Å; T470-L491 HydrophobicContact CG2-CG 4.45Å; I471-L491 HydrophobicContact CG2-CD2 4.34Å; F488-L491 HydrophobicContact CB-CB 4.37Å; F488-L491 HydrophobicContact CD1-CD1 4.35Å; F488-L491 HydrophobicContact CD1-CD2 4.23Å; F488-L491 PolarHBondContact O-N 3.01Å; F488-L491 VanDerWaalsContact O-N 3.16Å; L491-D494 PolarHBondContact O-N 3.19Å; L491-W495 PolarHBondContact O-N 2.87Å; L491-L528 HydrophobicContact CB-CD1 4.37Å; L491-L528 HydrophobicContact CD2-CD1 4.22Å |
| 492 | R | 96.6 | Very high | 92 | Very high | 9 Ų | 9 | 49.1 Ų | 49.1 | 3% | 0.034 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 175 | -73 | -173.2 | -71.9 | -83.3 | 0.9 | 111.6 | F488 R489 G490 D494 W495 Y496 V525 D532 | F488-R492 PolarHBondContact O-N 3.25Å; R489-R492 PolarHBondContact O-N 3.12Å; G490-R492 PolarHBondContact O-N 3.07Å; R492-D494 VanDerWaalsContact C-N 3.3Å; R492-D494 PolarHBondContact O-N 3.21Å; R492-W495 WeakPolarHBondContact O-CB 3.42Å; R492-W495 PolarHBondContact O-N 2.87Å; R492-Y496 WeakPolarHBondContact O-CD1 3.19Å; R492-Y496 WeakPolarHBondContact O-CE1 3.46Å; R492-Y496 VanDerWaalsContact O-CG 3.26Å; R492-Y496 PolarHBondContact O-N 3.42Å; R492-V525 HydrophobicContact CG-CG1 4.22Å; R492-D532 IonicContact CZ-OD1 3.9Å; R492-D532 IonicContact CZ-OD2 2.74Å; R492-D532 VanDerWaalsContact NH1-CG 3.3Å; R492-D532 IonicContact NH1-OD1 3.8Å; R492-D532 PolarHBondContact NH1-OD1 3.45Å; R492-D532 IonicContact NH1-OD2 3.34Å; R492-D532 PolarHBondContact NH1-OD2 3.38Å; R492-D532 IonicContact NH2-OD1 3.92Å; R492-D532 IonicContact NH2-OD2 3.92Å; R492-D532 PolarHBondContact NH2-OD2 3.02Å |
| 493 | L | 96.4 | Very high | 93.3 | Very high | 47 Ų | 47 | 41.1 Ų | 41.1 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.8 | -37.4 | 175.9 | -177.4 | 60.9 | 0 | 0 | 0 | 112 | E14 R489 G490 W495 Y496 R497 | E14-L493 HydrophobicContact CG-CD1 4.25Å; E14-L493 HydrophobicContact CG-CD2 4.32Å; R489-L493 WeakPolarHBondContact O-CB 3.39Å; R489-L493 PolarHBondContact O-N 3.02Å; G490-L493 PolarHBondContact O-N 3.06Å; L493-W495 VanDerWaalsContact C-N 3.33Å; L493-Y496 HydrophobicContact CD1-CD2 4.14Å; L493-Y496 WeakPolarHBondContact O-CB 3.33Å; L493-Y496 PolarHBondContact O-N 2.88Å; L493-Y496 VanDerWaalsContact O-N 3.14Å; L493-R497 WeakPolarHBondContact O-CG 3.37Å; L493-R497 PolarHBondContact O-N 3.09Å |
| 494 | D | 96.3 | Very high | 94 | Very high | 37 Ų | 37 | 39.1 Ų | 39.1 | 20% | 0.198 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.7 | -37.2 | 173.9 | -80.5 | -14.4 | 0 | 0 | 0 | 112.4 | I463 G490 L491 R492 R497 L498 | I463-D494 HydrophobicContact CG2-CB 3.62Å; G490-D494 PolarHBondContact O-N 2.72Å; L491-D494 PolarHBondContact O-N 3.19Å; R492-D494 VanDerWaalsContact C-N 3.3Å; R492-D494 PolarHBondContact O-N 3.21Å; D494-R497 WeakPolarHBondContact O-CB 3.41Å; D494-R497 PolarHBondContact O-N 3.35Å; D494-R497 IonicContact OD1-CZ 3.12Å; D494-R497 IonicContact OD1-NH1 2.82Å; D494-R497 PolarHBondContact OD1-NH1 3.43Å; D494-L498 WeakPolarHBondContact O-CG 3.4Å; D494-L498 PolarHBondContact O-N 2.88Å |
| 495 | W | 96.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.6 | -40.9 | 169.7 | 179.2 | -131.9 | 0 | 0 | 0 | 112.2 | F464 L491 R492 L493 R497 L498 Q499 I511 M521 N522 V525 | F464-W495 HydrophobicContact CE1-CZ3 4.23Å; L491-W495 PolarHBondContact O-N 2.87Å; R492-W495 WeakPolarHBondContact O-CB 3.42Å; R492-W495 PolarHBondContact O-N 2.87Å; L493-W495 VanDerWaalsContact C-N 3.33Å; W495-R497 VanDerWaalsContact C-N 3.32Å; W495-R497 PolarHBondContact O-N 2.89Å; W495-L498 HydrophobicContact CE3-CB 3.84Å; W495-L498 HydrophobicContact CE3-CD1 4.16Å; W495-L498 HydrophobicContact CZ3-CB 4.1Å; W495-L498 PolarHBondContact O-N 3.21Å; W495-Q499 HydrophobicContact CD2-CG 4.05Å; W495-Q499 HydrophobicContact CE3-CG 4.29Å; W495-Q499 HydrophobicContact CH2-CG 4Å; W495-Q499 HydrophobicContact CZ2-CG 3.75Å; W495-Q499 VanDerWaalsContact CZ2-NE2 3.31Å; W495-Q499 HydrophobicContact CZ3-CG 4.27Å; W495-Q499 WeakPolarHBondContact O-CG 3.12Å; W495-Q499 PolarHBondContact O-N 3.35Å; W495-I511 HydrophobicContact CH2-CD1 4.46Å; W495-I511 HydrophobicContact CH2-CG1 4.42Å; W495-M521 HydrophobicContact CD2-CB 4.21Å; W495-M521 HydrophobicContact CD2-CE 3.86Å; W495-M521 HydrophobicContact CE3-CB 4.17Å; W495-M521 HydrophobicContact CE3-CE 3.43Å; W495-M521 VanDerWaalsContact CE3-CE 3.43Å; W495-M521 HydrophobicContact CE3-CG 4.26Å; W495-M521 HydrophobicContact CG-CE 4.39Å; W495-M521 HydrophobicContact CH2-CB 3.52Å; W495-M521 HydrophobicContact CH2-CG 3.88Å; W495-M521 HydrophobicContact CZ2-CB 3.51Å; W495-M521 HydrophobicContact CZ2-CG 4.36Å; W495-M521 HydrophobicContact CZ3-CB 3.86Å; W495-M521 HydrophobicContact CZ3-CE 3.93Å; W495-M521 HydrophobicContact CZ3-CG 3.81Å; W495-N522 PolarHBondContact NE1-OD1 3.45Å; W495-V525 HydrophobicContact CB-CG2 4.13Å; W495-V525 HydrophobicContact CG-CG2 3.92Å |
| 496 | Y | 96.6 | Very high | 94 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 15% | 0.145 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 176.3 | -54.7 | -16.4 | 0 | 0 | 0 | 111.7 | V17 D127 L131 R492 L493 Q499 A500 | V17-Y496 HydrophobicContact CG2-CD2 4.03Å; V17-Y496 HydrophobicContact CG2-CE2 4.24Å; D127-Y496 HydrophobicContact CB-CD1 3.62Å; D127-Y496 HydrophobicContact CB-CE1 3.28Å; D127-Y496 VanDerWaalsContact CG-CE1 3.47Å; L131-Y496 HydrophobicContact CD1-CD2 4.2Å; L131-Y496 HydrophobicContact CD1-CE2 4.42Å; R492-Y496 WeakPolarHBondContact O-CD1 3.19Å; R492-Y496 WeakPolarHBondContact O-CE1 3.46Å; R492-Y496 VanDerWaalsContact O-CG 3.26Å; R492-Y496 PolarHBondContact O-N 3.42Å; L493-Y496 HydrophobicContact CD1-CD2 4.14Å; L493-Y496 WeakPolarHBondContact O-CB 3.33Å; L493-Y496 PolarHBondContact O-N 2.88Å; L493-Y496 VanDerWaalsContact O-N 3.14Å; Y496-Q499 PolarHBondContact O-N 2.9Å; Y496-A500 PolarHBondContact O-N 2.91Å |
| 497 | R | 95.1 | Very high | 93.7 | Very high | 69 Ų | 69 | 41.4 Ų | 41.4 | 26% | 0.26 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.1 | -49.5 | 173 | -72.7 | 170 | 173.7 | 156.4 | -1.9 | 111.1 | A13 E14 L493 D494 W495 Q499 A500 Y501 | A13-R497 HydrophobicContact CB-CG 4.17Å; E14-R497 IonicContact OE1-CZ 2.8Å; E14-R497 IonicContact OE1-NE 3.22Å; E14-R497 PolarHBondContact OE1-NE 3.23Å; E14-R497 IonicContact OE1-NH2 3.96Å; E14-R497 PolarHBondContact OE1-NH2 2.8Å; L493-R497 WeakPolarHBondContact O-CG 3.37Å; L493-R497 PolarHBondContact O-N 3.09Å; D494-R497 WeakPolarHBondContact O-CB 3.41Å; D494-R497 PolarHBondContact O-N 3.35Å; D494-R497 IonicContact OD1-CZ 3.12Å; D494-R497 IonicContact OD1-NH1 2.82Å; D494-R497 PolarHBondContact OD1-NH1 3.43Å; W495-R497 VanDerWaalsContact C-N 3.32Å; W495-R497 PolarHBondContact O-N 2.89Å; R497-Q499 VanDerWaalsContact C-N 3.31Å; R497-Q499 PolarHBondContact O-N 3.5Å; R497-A500 WeakPolarHBondContact O-CB 3.29Å; R497-A500 PolarHBondContact O-N 3.14Å; R497-Y501 HydrophobicContact CB-CE1 4.18Å; R497-Y501 HydrophobicContact CB-CE2 4.06Å; R497-Y501 WeakPolarHBondContact O-CD1 3.37Å; R497-Y501 PolarHBondContact O-N 3.35Å |
| 498 | L | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 177.1 | -79.2 | 171 | 0 | 0 | 0 | 111.6 | I463 F464 D494 W495 A500 Y501 T502 | I463-L498 HydrophobicContact CB-CD1 4.04Å; I463-L498 HydrophobicContact CB-CD2 4.08Å; I463-L498 HydrophobicContact CB-CG 4.08Å; I463-L498 HydrophobicContact CD1-CD2 4.31Å; I463-L498 HydrophobicContact CD1-CG 4.38Å; I463-L498 HydrophobicContact CG2-CD1 3.54Å; I463-L498 HydrophobicContact CG2-CD2 4.34Å; I463-L498 HydrophobicContact CG2-CG 3.77Å; F464-L498 HydrophobicContact CD1-CD1 3.69Å; F464-L498 HydrophobicContact CD2-CD1 4.4Å; F464-L498 HydrophobicContact CD2-CD2 4.06Å; F464-L498 HydrophobicContact CE1-CD1 3.64Å; F464-L498 HydrophobicContact CE2-CD1 4.36Å; F464-L498 HydrophobicContact CE2-CD2 3.8Å; F464-L498 HydrophobicContact CG-CD1 4.08Å; F464-L498 HydrophobicContact CZ-CD1 3.98Å; F464-L498 HydrophobicContact CZ-CD2 4.04Å; F464-L498 HydrophobicContact CZ-CG 4.46Å; D494-L498 WeakPolarHBondContact O-CG 3.4Å; D494-L498 PolarHBondContact O-N 2.88Å; W495-L498 HydrophobicContact CE3-CB 3.84Å; W495-L498 HydrophobicContact CE3-CD1 4.16Å; W495-L498 HydrophobicContact CZ3-CB 4.1Å; W495-L498 PolarHBondContact O-N 3.21Å; L498-A500 VanDerWaalsContact C-N 3.31Å; L498-A500 PolarHBondContact O-N 2.97Å; L498-Y501 PolarHBondContact O-N 3.02Å; L498-T502 VanDerWaalsContact O-CB 3.32Å; L498-T502 WeakPolarHBondContact O-CB 3.34Å; L498-T502 VanDerWaalsContact O-CG2 3.27Å; L498-T502 WeakPolarHBondContact O-CG2 3.39Å; L498-T502 PolarHBondContact O-N 2.82Å; L498-T502 PolarHBondContact O-OG1 3.34Å |
| 499 | Q | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.1 | -42.7 | 173.8 | -74 | -175.8 | 1.7 | 0 | 0 | 111.7 | N125 L128 W495 Y496 R497 S503 | N125-Q499 HydrophobicContact CB-CB 3.93Å; N125-Q499 HydrophobicContact CB-CG 3.83Å; L128-Q499 HydrophobicContact CB-CB 3.92Å; L128-Q499 HydrophobicContact CD2-CB 4.2Å; W495-Q499 HydrophobicContact CD2-CG 4.05Å; W495-Q499 HydrophobicContact CE3-CG 4.29Å; W495-Q499 HydrophobicContact CH2-CG 4Å; W495-Q499 HydrophobicContact CZ2-CG 3.75Å; W495-Q499 VanDerWaalsContact CZ2-NE2 3.31Å; W495-Q499 HydrophobicContact CZ3-CG 4.27Å; W495-Q499 WeakPolarHBondContact O-CG 3.12Å; W495-Q499 PolarHBondContact O-N 3.35Å; Y496-Q499 PolarHBondContact O-N 2.9Å; R497-Q499 VanDerWaalsContact C-N 3.31Å; R497-Q499 PolarHBondContact O-N 3.5Å; Q499-S503 WeakPolarHBondContact O-CB 3.41Å; Q499-S503 PolarHBondContact O-N 3.39Å; Q499-S503 VanDerWaalsContact O-N 3.14Å; Q499-S503 PolarHBondContact O-OG 3.29Å; Q499-S503 VanDerWaalsContact O-OG 3.05Å |
| 500 | A | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I12 L128 Y496 R497 L498 | I12-A500 HydrophobicContact CB-CB 4.29Å; L128-A500 HydrophobicContact CD1-CB 4.07Å; L128-A500 HydrophobicContact CD2-CB 4.12Å; Y496-A500 PolarHBondContact O-N 2.91Å; R497-A500 WeakPolarHBondContact O-CB 3.29Å; R497-A500 PolarHBondContact O-N 3.14Å; L498-A500 VanDerWaalsContact C-N 3.31Å; L498-A500 PolarHBondContact O-N 2.97Å |
| 501 | Y | 92.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 36 Ų | 36 | 15% | 0.149 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71.3 | -39.9 | -177.1 | -58.6 | -6.4 | 0 | 0 | 0 | 111.1 | S8 I463 R497 L498 S507 | S8-Y501 VanDerWaalsContact CA-CE1 3.4Å; I463-Y501 HydrophobicContact CD1-CE2 4.02Å; R497-Y501 HydrophobicContact CB-CE1 4.18Å; R497-Y501 HydrophobicContact CB-CE2 4.06Å; R497-Y501 WeakPolarHBondContact O-CD1 3.37Å; R497-Y501 PolarHBondContact O-N 3.35Å; L498-Y501 PolarHBondContact O-N 3.02Å; Y501-S507 WeakPolarHBondContact O-CB 3.3Å; Y501-S507 PolarHBondContact O-OG 3.08Å |
| 502 | T | 93.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -91.7 | -7.3 | -172.5 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | L498 F509 S510 I511 | L498-T502 VanDerWaalsContact O-CB 3.32Å; L498-T502 WeakPolarHBondContact O-CB 3.34Å; L498-T502 VanDerWaalsContact O-CG2 3.27Å; L498-T502 WeakPolarHBondContact O-CG2 3.39Å; L498-T502 PolarHBondContact O-N 2.82Å; L498-T502 PolarHBondContact O-OG1 3.34Å; T502-F509 WeakPolarHBondContact CA-O 3.39Å; T502-F509 WeakPolarHBondContact CB-O 3.31Å; T502-F509 HydrophobicContact CG2-CD1 3.55Å; T502-F509 HydrophobicContact CG2-CE1 3.97Å; T502-S510 WeakPolarHBondContact O-CA 3.45Å; T502-I511 PolarHBondContact O-N 3.03Å; T502-I511 VanDerWaalsContact O-N 3.16Å; T502-I511 VanDerWaalsContact OG1-CB 3.31Å; T502-I511 WeakPolarHBondContact OG1-CB 3.23Å; T502-I511 WeakPolarHBondContact OG1-CG2 3.32Å |
| 503 | S | 95.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -1.8 | 174.6 | -67.8 | 0 | 0 | 0 | 0 | 114.5 | I118 I119 N125 Q499 H512 | I118-S503 WeakPolarHBondContact CA-O 3.23Å; I119-S503 PolarHBondContact N-O 2.93Å; N125-S503 WeakPolarHBondContact ND2-CB 3.45Å; N125-S503 PolarHBondContact ND2-OG 3.31Å; Q499-S503 WeakPolarHBondContact O-CB 3.41Å; Q499-S503 PolarHBondContact O-N 3.39Å; Q499-S503 VanDerWaalsContact O-N 3.14Å; Q499-S503 PolarHBondContact O-OG 3.29Å; Q499-S503 VanDerWaalsContact O-OG 3.05Å; S503-H512 WeakPolarHBondContact CB-NE2 3.47Å; S503-H512 PolarHBondContact OG-NE2 2.92Å |
| 504 | S | 91.7 | Very high | 92.4 | Very high | 10 Ų | 10 | 43.8 Ų | 43.8 | 7% | 0.07 | 21% | 0.206 | C | C | . | . | B | Isolated β-bridge | trans | -69 | 135.9 | 170.8 | 177 | 0 | 0 | 0 | 0 | 110.5 | C116 R506 S507 | C116-S504 PolarHBondContact O-OG 3.25Å; S504-R506 PolarHBondContact O-N 3.47Å; S504-R506 PolarHBondContact OG-N 2.97Å; S504-S507 VanDerWaalsContact O-CB 3.24Å; S504-S507 WeakPolarHBondContact O-CB 3.34Å; S504-S507 PolarHBondContact O-N 3.13Å |
| 505 | Q | 84.5 | Confident | 92.3 | Very high | 109 Ų | 109 | 45.7 Ų | 45.7 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -20.4 | 175.8 | -170.5 | 172.4 | -5.4 | 0 | 0 | 113.5 | Q117 | Q117-Q505 HydrophobicContact CB-CB 3.71Å; Q117-Q505 VanDerWaalsContact CD-OE1 3.32Å; Q117-Q505 PolarHBondContact O-N 3.36Å |
| 506 | R | 84.2 | Confident | 92.2 | Very high | 153 Ų | 153 | 53.4 Ų | 53.4 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | 6.7 | 178.1 | -61.7 | -177.5 | -179.2 | 176.2 | 1 | 113.6 | G4 S504 | G4-R506 VanDerWaalsContact CA-NH1 3.3Å; S504-R506 PolarHBondContact O-N 3.47Å; S504-R506 PolarHBondContact OG-N 2.97Å |
| 507 | S | 85.8 | Confident | 92.1 | Very high | 35 Ų | 35 | 51.7 Ų | 51.7 | 25% | 0.245 | 25% | 0.247 | C | C | . | . | trans | -66 | 136.8 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 110.5 | Y501 S504 F509 | Y501-S507 WeakPolarHBondContact O-CB 3.3Å; Y501-S507 PolarHBondContact O-OG 3.08Å; S504-S507 VanDerWaalsContact O-CB 3.24Å; S504-S507 WeakPolarHBondContact O-CB 3.34Å; S504-S507 PolarHBondContact O-N 3.13Å; S507-F509 WeakPolarHBondContact CB-O 3.5Å; S507-F509 PolarHBondContact O-N 3Å; S507-F509 PolarHBondContact OG-N 3.49Å; S507-F509 VanDerWaalsContact OG-N 3.1Å; S507-F509 PolarHBondContact OG-O 3.5Å | ||
| 508 | N | 85.7 | Confident | 92.2 | Very high | 155 Ų | 155 | 48.4 Ų | 48.4 | 83% | 0.829 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -73.4 | -7 | 170.6 | -67 | -20.9 | 0 | 0 | 0 | 112.7 | P457 | P457-N508 HydrophobicContact CG-CB 4.06Š|
| 509 | F | 91.2 | Very high | 92.2 | Very high | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -142.7 | 108.8 | 177.4 | 174 | -100.4 | 0 | 0 | 0 | 109.2 | I453 I456 P457 F464 T502 S507 H514 L517 | I453-F509 HydrophobicContact CD1-CE2 4.2Å; I453-F509 HydrophobicContact CD1-CZ 4.22Å; I453-F509 HydrophobicContact CG2-CD2 4.4Å; I453-F509 HydrophobicContact CG2-CE2 3.76Å; I456-F509 HydrophobicContact CG1-CD2 4.45Å; I456-F509 HydrophobicContact CG1-CE2 4.17Å; P457-F509 HydrophobicContact CG-CB 3.77Å; F464-F509 AromaticContact CE2-CE1 3.88Å; F464-F509 HydrophobicContact CE2-CE1 3.88Å; F464-F509 HydrophobicContact CZ-CE1 4.2Å; T502-F509 WeakPolarHBondContact CA-O 3.39Å; T502-F509 WeakPolarHBondContact CB-O 3.31Å; T502-F509 HydrophobicContact CG2-CD1 3.55Å; T502-F509 HydrophobicContact CG2-CE1 3.97Å; S507-F509 WeakPolarHBondContact CB-O 3.5Å; S507-F509 PolarHBondContact O-N 3Å; S507-F509 PolarHBondContact OG-N 3.49Å; S507-F509 VanDerWaalsContact OG-N 3.1Å; S507-F509 PolarHBondContact OG-O 3.5Å; F509-H514 AromaticContact CD2-NE2 3.96Å; F509-H514 AromaticContact CE2-CD2 3.31Å; F509-H514 WeakPolarHBondContact CE2-CD2 3.44Å; F509-H514 AromaticContact CE2-NE2 3.37Å; F509-H514 WeakPolarHBondContact CE2-NE2 3.43Å; F509-H514 AromaticContact CZ-CD2 3.67Å; F509-L517 HydrophobicContact CZ-CD2 3.95Å |
| 510 | S | 92.9 | Very high | 92.2 | Very high | 23 Ų | 23 | 50.5 Ų | 50.5 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | trans | -96 | 116.3 | -176.6 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | T502 H512 E513 H514 | T502-S510 WeakPolarHBondContact O-CA 3.45Å; S510-H512 PolarHBondContact O-N 2.84Å; S510-H512 VanDerWaalsContact O-N 3.15Å; S510-H512 PolarHBondContact OG-N 3.4Å; S510-E513 WeakPolarHBondContact O-CB 3.36Å; S510-E513 PolarHBondContact O-N 3.22Å; S510-H514 PolarHBondContact O-CD2 3.4Å | ||
| 511 | I | 93.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -63.2 | -22.6 | 176.7 | -168.4 | 60.6 | 0 | 0 | 0 | 112.2 | V124 W495 T502 E513 H514 L517 A518 | V124-I511 HydrophobicContact CG1-CG1 4.14Å; V124-I511 HydrophobicContact CG1-CG2 3.99Å; W495-I511 HydrophobicContact CH2-CD1 4.46Å; W495-I511 HydrophobicContact CH2-CG1 4.42Å; T502-I511 PolarHBondContact O-N 3.03Å; T502-I511 VanDerWaalsContact O-N 3.16Å; T502-I511 VanDerWaalsContact OG1-CB 3.31Å; T502-I511 WeakPolarHBondContact OG1-CB 3.23Å; T502-I511 WeakPolarHBondContact OG1-CG2 3.32Å; I511-E513 PolarHBondContact O-N 3.4Å; I511-H514 CarbonylContact O-C 3.51Å; I511-H514 VanDerWaalsContact O-C 3.32Å; I511-H514 PolarHBondContact O-N 3.37Å; I511-L517 HydrophobicContact CD1-CB 4.36Å; I511-L517 HydrophobicContact CD1-CD2 3.92Å; I511-L517 HydrophobicContact CD1-CG 4.08Å; I511-A518 HydrophobicContact CD1-CB 4.18Å; I511-A518 HydrophobicContact CG1-CB 3.94Å |
| 512 | H | 93.2 | Very high | 92.5 | Very high | 44 Ų | 44 | 49 Ų | 49 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -68.9 | -20 | 176.2 | -57.4 | -80.4 | 0 | 0 | 0 | 113.1 | I119 S503 S510 H514 | I119-H512 PolarHBondContact O-CE1 2.91Å; I119-H512 VanDerWaalsContact O-CE1 3.25Å; I119-H512 PolarHBondContact O-NE2 2.63Å; I119-H512 VanDerWaalsContact O-NE2 3.13Å; S503-H512 WeakPolarHBondContact CB-NE2 3.47Å; S503-H512 PolarHBondContact OG-NE2 2.92Å; S510-H512 PolarHBondContact O-N 2.84Å; S510-H512 VanDerWaalsContact O-N 3.15Å; S510-H512 PolarHBondContact OG-N 3.4Å; H512-H514 VanDerWaalsContact C-N 3.31Å |
| 513 | E | 92.8 | Very high | 92.6 | Very high | 147 Ų | 147 | 50 Ų | 50 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -83.9 | -10.8 | 172.2 | -64.1 | 175.1 | 178.7 | 0 | 0 | 112 | S510 I511 P515 | S510-E513 WeakPolarHBondContact O-CB 3.36Å; S510-E513 PolarHBondContact O-N 3.22Å; I511-E513 PolarHBondContact O-N 3.4Å; E513-P515 WeakPolarHBondContact O-CD 3.3Å |
| 514 | H | 94 | Very high | 92.6 | Very high | 53 Ų | 53 | 50 Ų | 50 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | trans | -124.6 | 60 | -178.3 | -58.9 | -75 | 0 | 0 | 0 | 112.1 | F509 S510 I511 H512 K516 L517 A518 | F509-H514 AromaticContact CD2-NE2 3.96Å; F509-H514 AromaticContact CE2-CD2 3.31Å; F509-H514 WeakPolarHBondContact CE2-CD2 3.44Å; F509-H514 AromaticContact CE2-NE2 3.37Å; F509-H514 WeakPolarHBondContact CE2-NE2 3.43Å; F509-H514 AromaticContact CZ-CD2 3.67Å; S510-H514 PolarHBondContact O-CD2 3.4Å; I511-H514 CarbonylContact O-C 3.51Å; I511-H514 VanDerWaalsContact O-C 3.32Å; I511-H514 PolarHBondContact O-N 3.37Å; H512-H514 VanDerWaalsContact C-N 3.31Å; H514-K516 PolarHBondContact O-N 2.81Å; H514-L517 HydrophobicContact CB-CB 4Å; H514-L517 HydrophobicContact CB-CD2 4.5Å; H514-L517 WeakPolarHBondContact O-CB 3.18Å; H514-L517 PolarHBondContact O-N 3.33Å; H514-A518 PolarHBondContact O-N 2.65Å; H514-A518 VanDerWaalsContact O-N 3.11Å | ||
| 515 | P | 93.1 | Very high | 92.9 | Very high | 78 Ų | 78 | 49.6 Ų | 49.6 | 51% | 0.506 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61 | -30.2 | -175.3 | 24.8 | -35 | 0 | 0 | 0 | 113.6 | E513 A518 C519 | E513-P515 WeakPolarHBondContact O-CD 3.3Å; P515-A518 PolarHBondContact O-N 3.34Å; P515-C519 WeakPolarHBondContact O-CB 3.36Å; P515-C519 PolarHBondContact O-N 3.28Å |
| 516 | K | 94.6 | Very high | 93.5 | Very high | 161 Ų | 161 | 44.7 Ų | 44.7 | 70% | 0.7 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.9 | -39.6 | 175.1 | -68.2 | -174.4 | 178.2 | -177.4 | 0 | 112.5 | M449 H514 A518 C519 L520 | M449-K516 HydrophobicContact CE-CB 4.18Å; M449-K516 HydrophobicContact SD-CB 4.41Å; H514-K516 PolarHBondContact O-N 2.81Å; K516-A518 VanDerWaalsContact C-N 3.34Å; K516-C519 PolarHBondContact O-N 2.84Å; K516-L520 WeakPolarHBondContact O-CB 3.45Å; K516-L520 PolarHBondContact O-N 3Å |
| 517 | L | 95.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 173.7 | 176.8 | 63.3 | 0 | 0 | 0 | 110.4 | L446 M449 L450 I453 F464 F509 I511 H514 L520 M521 | L446-L517 HydrophobicContact CD2-CD1 4.1Å; M449-L517 HydrophobicContact CG-CB 4.06Å; M449-L517 HydrophobicContact CG-CD1 3.95Å; L450-L517 HydrophobicContact CD2-CD1 4.06Å; L450-L517 HydrophobicContact CD2-CD2 4.2Å; L450-L517 HydrophobicContact CG-CD1 4.48Å; I453-L517 HydrophobicContact CD1-CD2 3.78Å; F464-L517 HydrophobicContact CE1-CD2 4.33Å; F464-L517 HydrophobicContact CZ-CD2 4.12Å; F509-L517 HydrophobicContact CZ-CD2 3.95Å; I511-L517 HydrophobicContact CD1-CB 4.36Å; I511-L517 HydrophobicContact CD1-CD2 3.92Å; I511-L517 HydrophobicContact CD1-CG 4.08Å; H514-L517 HydrophobicContact CB-CB 4Å; H514-L517 HydrophobicContact CB-CD2 4.5Å; H514-L517 WeakPolarHBondContact O-CB 3.18Å; H514-L517 PolarHBondContact O-N 3.33Å; L517-L520 PolarHBondContact O-N 2.92Å; L517-M521 HydrophobicContact CD1-CG 4.13Å; L517-M521 HydrophobicContact CG-CG 4.4Å; L517-M521 WeakPolarHBondContact O-CB 3.44Å; L517-M521 VanDerWaalsContact O-CG 3.32Å; L517-M521 WeakPolarHBondContact O-CG 3.41Å; L517-M521 PolarHBondContact O-N 3.09Å |
| 518 | A | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.2 | -46.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V124 I511 H514 P515 K516 L520 M521 N522 | V124-A518 HydrophobicContact CB-CB 4.4Å; V124-A518 HydrophobicContact CG1-CB 3.64Å; I511-A518 HydrophobicContact CD1-CB 4.18Å; I511-A518 HydrophobicContact CG1-CB 3.94Å; H514-A518 PolarHBondContact O-N 2.65Å; H514-A518 VanDerWaalsContact O-N 3.11Å; P515-A518 PolarHBondContact O-N 3.34Å; K516-A518 VanDerWaalsContact C-N 3.34Å; A518-L520 PolarHBondContact O-N 3.24Å; A518-M521 PolarHBondContact O-N 3.43Å; A518-N522 WeakPolarHBondContact O-CB 3.1Å; A518-N522 PolarHBondContact O-N 2.73Å; A518-N522 PolarHBondContact O-ND2 3.48Å; A518-N522 VanDerWaalsContact O-ND2 3.1Å |
| 519 | C | 96 | Very high | 95.2 | Very high | 23 Ų | 23 | 29.5 Ų | 29.5 | 16% | 0.155 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -56.9 | -48.4 | 174.9 | 173.2 | 0 | 0 | 0 | 0 | 111.5 | P515 K516 N522 T523 | P515-C519 WeakPolarHBondContact O-CB 3.36Å; P515-C519 PolarHBondContact O-N 3.28Å; K516-C519 PolarHBondContact O-N 2.84Å; C519-N522 PolarHBondContact O-N 2.93Å; C519-T523 WeakPolarHBondContact O-CB 3.46Å; C519-T523 PolarHBondContact O-N 2.81Å; C519-T523 PolarHBondContact O-OG1 3.49Å |
| 520 | L | 95.7 | Very high | 95.4 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 12% | 0.115 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | -179.9 | -172.8 | 58.6 | 0 | 0 | 0 | 112.1 | A445 L446 M449 K516 L517 A518 N522 T523 S524 | A445-L520 HydrophobicContact CB-CD1 4.18Å; A445-L520 HydrophobicContact CB-CD2 3.79Å; L446-L520 HydrophobicContact CB-CD2 4.33Å; L446-L520 HydrophobicContact CD2-CB 4.19Å; L446-L520 HydrophobicContact CD2-CD2 3.64Å; L446-L520 HydrophobicContact CD2-CG 3.61Å; L446-L520 HydrophobicContact CG-CD2 3.72Å; L446-L520 HydrophobicContact CG-CG 3.77Å; M449-L520 HydrophobicContact CB-CD2 4.43Å; K516-L520 WeakPolarHBondContact O-CB 3.45Å; K516-L520 PolarHBondContact O-N 3Å; L517-L520 PolarHBondContact O-N 2.92Å; A518-L520 PolarHBondContact O-N 3.24Å; L520-N522 PolarHBondContact O-N 3.19Å; L520-T523 WeakPolarHBondContact O-CB 3.23Å; L520-T523 PolarHBondContact O-N 3.37Å; L520-S524 PolarHBondContact O-N 3.45Å; L520-S524 PolarHBondContact O-OG 3.36Å |
| 521 | M | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.8 | -74.3 | -62.6 | -63 | 0 | 0 | 112.4 | L446 F464 F467 W495 L517 A518 T523 S524 V525 | L446-M521 HydrophobicContact CD1-SD 4.17Å; L446-M521 HydrophobicContact CD2-CG 4.02Å; L446-M521 HydrophobicContact CD2-SD 3.49Å; L446-M521 WeakPolarHBondContact CD2-SD 3.37Å; F464-M521 HydrophobicContact CD1-CE 4.43Å; F464-M521 HydrophobicContact CD1-SD 4.3Å; F464-M521 HydrophobicContact CE1-CE 4.31Å; F464-M521 HydrophobicContact CE1-CG 4.3Å; F464-M521 HydrophobicContact CE1-SD 4.21Å; F467-M521 HydrophobicContact CD1-CE 3.99Å; F467-M521 HydrophobicContact CD1-SD 4.26Å; F467-M521 HydrophobicContact CD2-CE 4.23Å; F467-M521 HydrophobicContact CE1-CE 3.93Å; F467-M521 HydrophobicContact CE1-SD 4.18Å; F467-M521 HydrophobicContact CE2-CE 4.17Å; F467-M521 HydrophobicContact CG-CE 4.14Å; F467-M521 HydrophobicContact CZ-CE 4.03Å; W495-M521 HydrophobicContact CD2-CB 4.21Å; W495-M521 HydrophobicContact CD2-CE 3.86Å; W495-M521 HydrophobicContact CE3-CB 4.17Å; W495-M521 HydrophobicContact CE3-CE 3.43Å; W495-M521 VanDerWaalsContact CE3-CE 3.43Å; W495-M521 HydrophobicContact CE3-CG 4.26Å; W495-M521 HydrophobicContact CG-CE 4.39Å; W495-M521 HydrophobicContact CH2-CB 3.52Å; W495-M521 HydrophobicContact CH2-CG 3.88Å; W495-M521 HydrophobicContact CZ2-CB 3.51Å; W495-M521 HydrophobicContact CZ2-CG 4.36Å; W495-M521 HydrophobicContact CZ3-CB 3.86Å; W495-M521 HydrophobicContact CZ3-CE 3.93Å; W495-M521 HydrophobicContact CZ3-CG 3.81Å; L517-M521 HydrophobicContact CD1-CG 4.13Å; L517-M521 HydrophobicContact CG-CG 4.4Å; L517-M521 WeakPolarHBondContact O-CB 3.44Å; L517-M521 VanDerWaalsContact O-CG 3.32Å; L517-M521 WeakPolarHBondContact O-CG 3.41Å; L517-M521 PolarHBondContact O-N 3.09Å; A518-M521 PolarHBondContact O-N 3.43Å; M521-T523 VanDerWaalsContact C-N 3.28Å; M521-T523 PolarHBondContact O-N 3.11Å; M521-S524 PolarHBondContact O-N 3.42Å; M521-V525 WeakPolarHBondContact O-CB 3.4Å; M521-V525 WeakPolarHBondContact O-CG2 3.32Å; M521-V525 PolarHBondContact O-N 2.84Å |
| 522 | N | 96.2 | Very high | 95.7 | Very high | 5 Ų | 5 | 29.9 Ų | 29.9 | 3% | 0.027 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -36.4 | 176.8 | -70.8 | -30.6 | 0 | 0 | 0 | 111.6 | V124 P248 W495 A518 C519 L520 F526 | V124-N522 PolarHBondContact O-ND2 2.92Å; P248-N522 HydrophobicContact CG-CB 4.28Å; W495-N522 PolarHBondContact NE1-OD1 3.45Å; A518-N522 WeakPolarHBondContact O-CB 3.1Å; A518-N522 PolarHBondContact O-N 2.73Å; A518-N522 PolarHBondContact O-ND2 3.48Å; A518-N522 VanDerWaalsContact O-ND2 3.1Å; C519-N522 PolarHBondContact O-N 2.93Å; L520-N522 PolarHBondContact O-N 3.19Å; N522-F526 WeakPolarHBondContact O-CB 3.37Å; N522-F526 PolarHBondContact O-N 2.69Å |
| 523 | T | 95.8 | Very high | 95.9 | Very high | 22 Ų | 22 | 30.7 Ų | 30.7 | 14% | 0.135 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66.2 | -47.4 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | I247 C519 L520 M521 V525 F526 H527 | I247-T523 HydrophobicContact CD1-CG2 3.81Å; C519-T523 WeakPolarHBondContact O-CB 3.46Å; C519-T523 PolarHBondContact O-N 2.81Å; C519-T523 PolarHBondContact O-OG1 3.49Å; L520-T523 WeakPolarHBondContact O-CB 3.23Å; L520-T523 PolarHBondContact O-N 3.37Å; M521-T523 VanDerWaalsContact C-N 3.28Å; M521-T523 PolarHBondContact O-N 3.11Å; T523-V525 VanDerWaalsContact C-N 3.34Å; T523-V525 PolarHBondContact O-N 3.4Å; T523-F526 WeakPolarHBondContact O-CB 3.37Å; T523-F526 PolarHBondContact O-N 3.22Å; T523-F526 VanDerWaalsContact O-N 3.15Å; T523-H527 VanDerWaalsContact CG2-CE1 3.48Å; T523-H527 WeakPolarHBondContact CG2-CE1 3.33Å; T523-H527 PolarHBondContact O-N 2.79Å |
| 524 | S | 96.4 | Very high | 96 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -38.1 | 177.6 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | D442 L446 L520 M521 F526 H527 L528 | D442-S524 WeakPolarHBondContact CB-OG 3.44Å; D442-S524 VanDerWaalsContact CG-OG 3.28Å; D442-S524 WeakPolarHBondContact OD2-CA 3.46Å; D442-S524 WeakPolarHBondContact OD2-CB 3.26Å; D442-S524 PolarHBondContact OD2-OG 3.38Å; L446-S524 WeakPolarHBondContact CD1-OG 3.29Å; L520-S524 PolarHBondContact O-N 3.45Å; L520-S524 PolarHBondContact O-OG 3.36Å; M521-S524 PolarHBondContact O-N 3.42Å; S524-F526 VanDerWaalsContact C-N 3.33Å; S524-F526 PolarHBondContact O-N 3.13Å; S524-H527 PolarHBondContact O-N 2.64Å; S524-L528 WeakPolarHBondContact O-CG 3.3Å; S524-L528 PolarHBondContact O-N 2.9Å |
| 525 | V | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.012 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -66.1 | -36.4 | 173.7 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | F467 R492 W495 M521 T523 L528 K529 | F467-V525 HydrophobicContact CE2-CG2 4.23Å; F467-V525 HydrophobicContact CZ-CG2 4.05Å; R492-V525 HydrophobicContact CG-CG1 4.22Å; W495-V525 HydrophobicContact CB-CG2 4.13Å; W495-V525 HydrophobicContact CG-CG2 3.92Å; M521-V525 WeakPolarHBondContact O-CB 3.4Å; M521-V525 WeakPolarHBondContact O-CG2 3.32Å; M521-V525 PolarHBondContact O-N 2.84Å; T523-V525 VanDerWaalsContact C-N 3.34Å; T523-V525 PolarHBondContact O-N 3.4Å; V525-L528 PolarHBondContact O-N 3.44Å; V525-K529 WeakPolarHBondContact O-CG 3.2Å; V525-K529 PolarHBondContact O-N 3.14Å |
| 526 | F | 96.8 | Very high | 96.2 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.026 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -47 | 170.2 | 171 | -101.7 | 0 | 0 | 0 | 111.5 | I247 Y251 I366 L367 L370 N522 T523 S524 L528 K529 M530 | I247-F526 HydrophobicContact CG2-CB 3.87Å; I247-F526 HydrophobicContact CG2-CD1 3.69Å; I247-F526 HydrophobicContact CG2-CD2 3.61Å; I247-F526 HydrophobicContact CG2-CE1 4.07Å; I247-F526 HydrophobicContact CG2-CE2 3.97Å; I247-F526 HydrophobicContact CG2-CG 3.43Å; I247-F526 VanDerWaalsContact CG2-CG 3.43Å; I247-F526 HydrophobicContact CG2-CZ 4.18Å; Y251-F526 HydrophobicContact CD1-CE2 4.44Å; Y251-F526 AromaticContact CE1-CD2 3.82Å; Y251-F526 HydrophobicContact CE1-CD2 3.82Å; Y251-F526 AromaticContact CE1-CE2 3.72Å; Y251-F526 HydrophobicContact CE1-CE2 3.72Å; I366-F526 HydrophobicContact CG2-CE1 4.16Å; I366-F526 HydrophobicContact CG2-CZ 3.92Å; L367-F526 HydrophobicContact CB-CZ 4.32Å; L367-F526 HydrophobicContact CD1-CZ 4.3Å; L370-F526 HydrophobicContact CD1-CE2 3.73Å; L370-F526 HydrophobicContact CD1-CZ 4.08Å; N522-F526 WeakPolarHBondContact O-CB 3.37Å; N522-F526 PolarHBondContact O-N 2.69Å; T523-F526 WeakPolarHBondContact O-CB 3.37Å; T523-F526 PolarHBondContact O-N 3.22Å; T523-F526 VanDerWaalsContact O-N 3.15Å; S524-F526 VanDerWaalsContact C-N 3.33Å; S524-F526 PolarHBondContact O-N 3.13Å; F526-L528 PolarHBondContact O-N 3.41Å; F526-K529 WeakPolarHBondContact O-CB 3.26Å; F526-K529 PolarHBondContact O-N 3.35Å; F526-K529 VanDerWaalsContact O-N 3.15Å; F526-M530 HydrophobicContact CD2-CE 4.06Å; F526-M530 HydrophobicContact CE1-CG 4.31Å; F526-M530 HydrophobicContact CE2-CE 3.78Å; F526-M530 HydrophobicContact CE2-SD 4.15Å; F526-M530 HydrophobicContact CZ-CE 4.27Å; F526-M530 HydrophobicContact CZ-CG 4.34Å; F526-M530 HydrophobicContact CZ-SD 4.04Å; F526-M530 WeakPolarHBondContact O-CG 3.17Å; F526-M530 PolarHBondContact O-N 2.93Å |
| 527 | H | 97.1 | Very high | 96.3 | Very high | 6 Ų | 6 | 19.5 Ų | 19.5 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 176.3 | -64.1 | 156.3 | 0 | 0 | 0 | 112.9 | H434 Y437 L438 D442 T523 S524 K529 M530 | H434-H527 AromaticContact CE1-CD2 3.64Å; H434-H527 AromaticContact ND1-CD2 3.36Å; H434-H527 PolarHBondContact ND1-CD2 2.95Å; H434-H527 AromaticContact ND1-CG 3.79Å; Y437-H527 AromaticContact CD1-CE1 3.43Å; Y437-H527 VanDerWaalsContact CD1-CE1 3.43Å; Y437-H527 WeakPolarHBondContact CD1-CE1 3.38Å; Y437-H527 AromaticContact CD1-ND1 3.58Å; Y437-H527 AromaticContact CE1-CE1 3.36Å; Y437-H527 WeakPolarHBondContact CE1-CE1 3.49Å; Y437-H527 AromaticContact CE1-ND1 3.91Å; L438-H527 HydrophobicContact CD1-CB 4.21Å; L438-H527 HydrophobicContact CD2-CB 3.75Å; L438-H527 HydrophobicContact CG-CB 3.83Å; D442-H527 IonicContact OD1-CE1 2.87Å; D442-H527 IonicContact OD1-ND1 2.85Å; D442-H527 IonicContact OD2-CE1 3.37Å; D442-H527 IonicContact OD2-CG 2.74Å; D442-H527 IonicContact OD2-ND1 3.92Å; D442-H527 PolarHBondContact OD2-ND1 3.17Å; T523-H527 VanDerWaalsContact CG2-CE1 3.48Å; T523-H527 WeakPolarHBondContact CG2-CE1 3.33Å; T523-H527 PolarHBondContact O-N 2.79Å; S524-H527 PolarHBondContact O-N 2.64Å; H527-K529 VanDerWaalsContact C-N 3.32Å; H527-K529 PolarHBondContact O-N 2.69Å; H527-M530 WeakPolarHBondContact O-CB 3.5Å; H527-M530 PolarHBondContact O-N 3.05Å; H527-M530 VanDerWaalsContact O-N 3.09Å |
| 528 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57.6 | -45.4 | 172.8 | -71.7 | 172.8 | 0 | 0 | 0 | 111 | L438 F467 I471 F488 L491 S524 V525 F526 M530 V531 D532 | L438-L528 HydrophobicContact CD1-CD2 3.79Å; L438-L528 HydrophobicContact CD1-CG 4.33Å; L438-L528 HydrophobicContact CD2-CD2 4.22Å; L438-L528 HydrophobicContact CD2-CG 4.2Å; F467-L528 HydrophobicContact CE2-CD1 3.78Å; F467-L528 HydrophobicContact CZ-CD1 3.63Å; I471-L528 HydrophobicContact CG2-CD2 4.09Å; F488-L528 HydrophobicContact CB-CD2 4.31Å; F488-L528 HydrophobicContact CD1-CD2 4.19Å; F488-L528 HydrophobicContact CD2-CB 4.27Å; F488-L528 HydrophobicContact CD2-CD2 3.59Å; F488-L528 HydrophobicContact CE1-CD2 4.41Å; F488-L528 HydrophobicContact CE2-CD2 3.83Å; F488-L528 HydrophobicContact CG-CD2 3.78Å; F488-L528 HydrophobicContact CZ-CD2 4.24Å; L491-L528 HydrophobicContact CB-CD1 4.37Å; L491-L528 HydrophobicContact CD2-CD1 4.22Å; S524-L528 WeakPolarHBondContact O-CG 3.3Å; S524-L528 PolarHBondContact O-N 2.9Å; V525-L528 PolarHBondContact O-N 3.44Å; F526-L528 PolarHBondContact O-N 3.41Å; L528-M530 PolarHBondContact O-N 2.64Å; L528-V531 WeakPolarHBondContact O-CB 3.38Å; L528-V531 PolarHBondContact O-N 3.07Å; L528-D532 PolarHBondContact O-N 3.42Å |
| 529 | K | 97.5 | Very high | 96.5 | Very high | 19 Ų | 19 | 21.7 Ų | 21.7 | 8% | 0.083 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -57.9 | -33 | 176.8 | -70.8 | 177 | -177.1 | 179.2 | 0 | 112.2 | D127 V525 F526 H527 V531 F533 L534 | D127-K529 IonicContact OD1-NZ 3.76Å; V525-K529 WeakPolarHBondContact O-CG 3.2Å; V525-K529 PolarHBondContact O-N 3.14Å; F526-K529 WeakPolarHBondContact O-CB 3.26Å; F526-K529 PolarHBondContact O-N 3.35Å; F526-K529 VanDerWaalsContact O-N 3.15Å; H527-K529 VanDerWaalsContact C-N 3.32Å; H527-K529 PolarHBondContact O-N 2.69Å; K529-V531 PolarHBondContact O-N 2.85Å; K529-F533 HydrophobicContact CB-CB 4.09Å; K529-F533 HydrophobicContact CG-CB 4.23Å; K529-F533 HydrophobicContact CG-CD1 4.2Å; K529-F533 CarbonylContact O-C 3.06Å; K529-F533 VanDerWaalsContact O-CA 3.26Å; K529-F533 WeakPolarHBondContact O-CA 3.19Å; K529-F533 WeakPolarHBondContact O-CB 3.49Å; K529-F533 PolarHBondContact O-N 2.64Å; K529-L534 PolarHBondContact O-N 2.78Å |
| 530 | M | 96.7 | Very high | 96.4 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -72.3 | -11.6 | 177.8 | -55.8 | -55.6 | 98.8 | 0 | 0 | 113.3 | I366 L370 V430 H434 F526 H527 L528 L534 T537 | I366-M530 HydrophobicContact CD1-CG 4.28Å; I366-M530 HydrophobicContact CD1-SD 3.32Å; I366-M530 WeakPolarHBondContact CD1-SD 3.3Å; I366-M530 HydrophobicContact CG1-SD 3.79Å; I366-M530 HydrophobicContact CG2-CG 4.32Å; I366-M530 HydrophobicContact CG2-SD 4.04Å; L370-M530 HydrophobicContact CD1-CE 4.2Å; L370-M530 HydrophobicContact CD1-SD 4.23Å; V430-M530 HydrophobicContact CG1-CB 3.96Å; H434-M530 HydrophobicContact CB-CB 4.18Å; H434-M530 WeakPolarHBondContact CD2-CB 3.29Å; F526-M530 HydrophobicContact CD2-CE 4.06Å; F526-M530 HydrophobicContact CE1-CG 4.31Å; F526-M530 HydrophobicContact CE2-CE 3.78Å; F526-M530 HydrophobicContact CE2-SD 4.15Å; F526-M530 HydrophobicContact CZ-CE 4.27Å; F526-M530 HydrophobicContact CZ-CG 4.34Å; F526-M530 HydrophobicContact CZ-SD 4.04Å; F526-M530 WeakPolarHBondContact O-CG 3.17Å; F526-M530 PolarHBondContact O-N 2.93Å; H527-M530 WeakPolarHBondContact O-CB 3.5Å; H527-M530 PolarHBondContact O-N 3.05Å; H527-M530 VanDerWaalsContact O-N 3.09Å; L528-M530 PolarHBondContact O-N 2.64Å; M530-L534 HydrophobicContact SD-CD1 4.19Å; M530-T537 HydrophobicContact CE-CG2 3.93Å |
| 531 | V | 96 | Very high | 96.5 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -94.1 | -54.7 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 111.5 | Q431 H434 V435 L438 F479 Y486 F488 L528 K529 | Q431-V531 WeakPolarHBondContact CG-O 3.42Å; Q431-V531 PolarHBondContact NE2-O 2.81Å; H434-V531 HydrophobicContact CB-CG2 3.87Å; V435-V531 HydrophobicContact CG2-CG1 3.79Å; V435-V531 HydrophobicContact CG2-CG2 3.86Å; L438-V531 HydrophobicContact CD1-CG2 4Å; F479-V531 HydrophobicContact CZ-CG1 4.38Å; Y486-V531 HydrophobicContact CD2-CG1 3.74Å; Y486-V531 HydrophobicContact CE2-CG1 4.47Å; Y486-V531 HydrophobicContact CG-CG1 4.16Å; F488-V531 HydrophobicContact CE2-CB 3.97Å; F488-V531 HydrophobicContact CE2-CG1 3.81Å; L528-V531 WeakPolarHBondContact O-CB 3.38Å; L528-V531 PolarHBondContact O-N 3.07Å; K529-V531 PolarHBondContact O-N 2.85Å |
| 532 | D | 95.7 | Very high | 96.6 | Very high | 37 Ų | 37 | 23 Ų | 23 | 20% | 0.198 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -115.9 | -5.1 | -171.8 | 74.9 | -41.3 | 0 | 0 | 0 | 114.9 | Y486 F488 R492 L528 | Y486-D532 WeakPolarHBondContact O-CB 3.09Å; F488-D532 WeakPolarHBondContact CA-OD2 3.49Å; F488-D532 HydrophobicContact CD2-CB 4.03Å; F488-D532 WeakPolarHBondContact CD2-OD1 3.27Å; F488-D532 PolarHBondContact N-OD2 2.97Å; R492-D532 IonicContact CZ-OD1 3.9Å; R492-D532 IonicContact CZ-OD2 2.74Å; R492-D532 VanDerWaalsContact NH1-CG 3.3Å; R492-D532 IonicContact NH1-OD1 3.8Å; R492-D532 PolarHBondContact NH1-OD1 3.45Å; R492-D532 IonicContact NH1-OD2 3.34Å; R492-D532 PolarHBondContact NH1-OD2 3.38Å; R492-D532 IonicContact NH2-OD1 3.92Å; R492-D532 IonicContact NH2-OD2 3.92Å; R492-D532 PolarHBondContact NH2-OD2 3.02Å; L528-D532 PolarHBondContact O-N 3.42Å |
| 533 | F | 96.7 | Very high | 96.5 | Very high | 61 Ų | 61 | 24.2 Ų | 24.2 | 27% | 0.268 | 12% | 0.121 | S | C | . | . | trans | -129.6 | 15.6 | -172.9 | -150.7 | -119.5 | 0 | 0 | 0 | 113.5 | K529 D535 H536 T537 | K529-F533 HydrophobicContact CB-CB 4.09Å; K529-F533 HydrophobicContact CG-CB 4.23Å; K529-F533 HydrophobicContact CG-CD1 4.2Å; K529-F533 CarbonylContact O-C 3.06Å; K529-F533 VanDerWaalsContact O-CA 3.26Å; K529-F533 WeakPolarHBondContact O-CA 3.19Å; K529-F533 WeakPolarHBondContact O-CB 3.49Å; K529-F533 PolarHBondContact O-N 2.64Å; F533-D535 PolarHBondContact O-N 3Å; F533-H536 HydrophobicContact CD1-CB 3.78Å; F533-H536 HydrophobicContact CD2-CB 4.04Å; F533-H536 HydrophobicContact CE1-CB 3.5Å; F533-H536 AromaticContact CE1-CD2 3.99Å; F533-H536 AromaticContact CE1-CE1 3.93Å; F533-H536 AromaticContact CE1-CG 3.3Å; F533-H536 AromaticContact CE1-ND1 3.26Å; F533-H536 VanDerWaalsContact CE1-ND1 3.26Å; F533-H536 WeakPolarHBondContact CE1-ND1 3.32Å; F533-H536 HydrophobicContact CE2-CB 3.75Å; F533-H536 AromaticContact CE2-CG 3.95Å; F533-H536 HydrophobicContact CG-CB 4.05Å; F533-H536 HydrophobicContact CZ-CB 3.48Å; F533-H536 VanDerWaalsContact CZ-CB 3.48Å; F533-H536 AromaticContact CZ-CD2 3.47Å; F533-H536 VanDerWaalsContact CZ-CD2 3.47Å; F533-H536 WeakPolarHBondContact CZ-CD2 3.39Å; F533-H536 AromaticContact CZ-CG 3.21Å; F533-H536 AromaticContact CZ-ND1 3.59Å; F533-H536 AromaticContact CZ-NE2 3.97Å; F533-H536 PolarHBondContact O-N 3.48Å; F533-T537 PolarHBondContact O-N 2.95Å; F533-T537 PolarHBondContact O-OG1 3.49Å | ||
| 534 | L | 96.7 | Very high | 96.6 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | -173.4 | 178.6 | 61.1 | 0 | 0 | 0 | 111.6 | I366 A427 V430 K529 M530 H536 T537 V538 | I366-L534 HydrophobicContact CD1-CD1 3.78Å; A427-L534 HydrophobicContact CB-CD2 3.78Å; V430-L534 HydrophobicContact CB-CD2 4.24Å; V430-L534 HydrophobicContact CG1-CD2 4.16Å; K529-L534 PolarHBondContact O-N 2.78Å; M530-L534 HydrophobicContact SD-CD1 4.19Å; L534-H536 VanDerWaalsContact C-N 3.28Å; L534-H536 PolarHBondContact O-N 3.08Å; L534-T537 PolarHBondContact O-N 3.36Å; L534-V538 HydrophobicContact CD1-CG2 3.86Å; L534-V538 HydrophobicContact CG-CG2 4.21Å; L534-V538 WeakPolarHBondContact O-CB 3.41Å; L534-V538 VanDerWaalsContact O-CG2 3.29Å; L534-V538 WeakPolarHBondContact O-CG2 3.29Å; L534-V538 PolarHBondContact O-N 3.38Å |
| 535 | D | 95 | Very high | 96.6 | Very high | 103 Ų | 103 | 23.8 Ų | 23.8 | 55% | 0.551 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -55.5 | -44.4 | 178.7 | -67.3 | -48.2 | 0 | 0 | 0 | 112 | L424 F533 N539 | L424-D535 WeakPolarHBondContact CD2-OD1 3.19Å; F533-D535 PolarHBondContact O-N 3Å; D535-N539 WeakPolarHBondContact O-CB 3.41Å; D535-N539 PolarHBondContact O-N 3.06Å; D535-N539 PolarHBondContact O-ND2 3.49Å |
| 536 | H | 95.5 | Very high | 96.6 | Very high | 95 Ų | 95 | 24.6 Ų | 24.6 | 44% | 0.44 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -69.3 | -43.4 | 178.8 | -173.9 | -70.6 | 0 | 0 | 0 | 111.4 | F533 L534 V538 N539 E540 | F533-H536 HydrophobicContact CD1-CB 3.78Å; F533-H536 HydrophobicContact CD2-CB 4.04Å; F533-H536 HydrophobicContact CE1-CB 3.5Å; F533-H536 AromaticContact CE1-CD2 3.99Å; F533-H536 AromaticContact CE1-CE1 3.93Å; F533-H536 AromaticContact CE1-CG 3.3Å; F533-H536 AromaticContact CE1-ND1 3.26Å; F533-H536 VanDerWaalsContact CE1-ND1 3.26Å; F533-H536 WeakPolarHBondContact CE1-ND1 3.32Å; F533-H536 HydrophobicContact CE2-CB 3.75Å; F533-H536 AromaticContact CE2-CG 3.95Å; F533-H536 HydrophobicContact CG-CB 4.05Å; F533-H536 HydrophobicContact CZ-CB 3.48Å; F533-H536 VanDerWaalsContact CZ-CB 3.48Å; F533-H536 AromaticContact CZ-CD2 3.47Å; F533-H536 VanDerWaalsContact CZ-CD2 3.47Å; F533-H536 WeakPolarHBondContact CZ-CD2 3.39Å; F533-H536 AromaticContact CZ-CG 3.21Å; F533-H536 AromaticContact CZ-ND1 3.59Å; F533-H536 AromaticContact CZ-NE2 3.97Å; F533-H536 PolarHBondContact O-N 3.48Å; L534-H536 VanDerWaalsContact C-N 3.28Å; L534-H536 PolarHBondContact O-N 3.08Å; H536-V538 VanDerWaalsContact C-N 3.31Å; H536-V538 PolarHBondContact O-N 3.4Å; H536-N539 PolarHBondContact O-N 3.49Å; H536-E540 IonicContact ND1-OE2 3.61Å; H536-E540 WeakPolarHBondContact O-CB 3.46Å; H536-E540 PolarHBondContact O-N 3.42Å |
| 537 | T | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.7 | -37.2 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | L370 M530 F533 L534 E540 T541 | L370-T537 HydrophobicContact CD1-CG2 3.76Å; L370-T537 HydrophobicContact CD2-CG2 3.92Å; L370-T537 HydrophobicContact CG-CG2 4.49Å; M530-T537 HydrophobicContact CE-CG2 3.93Å; F533-T537 PolarHBondContact O-N 2.95Å; F533-T537 PolarHBondContact O-OG1 3.49Å; L534-T537 PolarHBondContact O-N 3.36Å; T537-E540 PolarHBondContact O-N 3.38Å; T537-T541 WeakPolarHBondContact O-CG2 3.41Å; T537-T541 PolarHBondContact O-N 2.91Å; T537-T541 VanDerWaalsContact O-N 3.15Å; T537-T541 PolarHBondContact O-OG1 2.97Å |
| 538 | V | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -46.6 | 172.9 | 170.9 | 0 | 0 | 0 | 0 | 110.3 | R420 L423 L424 L534 H536 E540 T541 S542 | R420-V538 HydrophobicContact CB-CG1 4.16Å; R420-V538 HydrophobicContact CG-CG1 3.53Å; L423-V538 HydrophobicContact CB-CG2 4.38Å; L423-V538 HydrophobicContact CD1-CG2 3.96Å; L424-V538 HydrophobicContact CD2-CB 4.31Å; L424-V538 HydrophobicContact CD2-CG1 4.28Å; L424-V538 HydrophobicContact CD2-CG2 4.23Å; L424-V538 HydrophobicContact CG-CG1 4.34Å; L534-V538 HydrophobicContact CD1-CG2 3.86Å; L534-V538 HydrophobicContact CG-CG2 4.21Å; L534-V538 WeakPolarHBondContact O-CB 3.41Å; L534-V538 VanDerWaalsContact O-CG2 3.29Å; L534-V538 WeakPolarHBondContact O-CG2 3.29Å; L534-V538 PolarHBondContact O-N 3.38Å; H536-V538 VanDerWaalsContact C-N 3.31Å; H536-V538 PolarHBondContact O-N 3.4Å; V538-E540 PolarHBondContact O-N 3.26Å; V538-T541 PolarHBondContact O-N 3.28Å; V538-T541 PolarHBondContact O-OG1 3.38Å; V538-S542 WeakPolarHBondContact O-CB 3.46Å; V538-S542 PolarHBondContact O-N 3.48Å; V538-S542 PolarHBondContact O-OG 3.4Å |
| 539 | N | 96 | Very high | 96.5 | Very high | 46 Ų | 46 | 26 Ų | 26 | 25% | 0.246 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | 175.7 | -73.6 | -23.5 | 0 | 0 | 0 | 112.2 | R420 D535 H536 T541 S542 N543 | R420-N539 PolarHBondContact NH2-OD1 3.2Å; D535-N539 WeakPolarHBondContact O-CB 3.41Å; D535-N539 PolarHBondContact O-N 3.06Å; D535-N539 PolarHBondContact O-ND2 3.49Å; H536-N539 PolarHBondContact O-N 3.49Å; N539-T541 VanDerWaalsContact C-N 3.25Å; N539-T541 PolarHBondContact O-N 3.26Å; N539-S542 PolarHBondContact O-N 2.91Å; N539-N543 WeakPolarHBondContact O-CA 3.47Å; N539-N543 WeakPolarHBondContact O-CB 3.43Å; N539-N543 PolarHBondContact O-N 2.96Å |
| 540 | E | 95.7 | Very high | 96.4 | Very high | 71 Ų | 71 | 25.5 Ų | 25.5 | 33% | 0.332 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -54.7 | -44.1 | 177.6 | -177 | -178.5 | 171 | 0 | 0 | 111.7 | K377 H536 T537 V538 | K377-E540 PolarHBondContact NZ-O 2.84Å; H536-E540 IonicContact ND1-OE2 3.61Å; H536-E540 WeakPolarHBondContact O-CB 3.46Å; H536-E540 PolarHBondContact O-N 3.42Å; T537-E540 PolarHBondContact O-N 3.38Å; V538-E540 PolarHBondContact O-N 3.26Å |
| 541 | T | 97.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -87 | -15.4 | -176.6 | 55.3 | 0 | 0 | 0 | 0 | 114.5 | Y251 L370 L373 S374 K377 T537 V538 N539 | Y251-T541 HydrophobicContact CD2-CG2 3.85Å; Y251-T541 HydrophobicContact CG-CG2 4.32Å; L370-T541 HydrophobicContact CB-CG2 4.34Å; L370-T541 HydrophobicContact CD2-CG2 4.14Å; L370-T541 WeakPolarHBondContact CD2-OG1 3.49Å; L373-T541 CarbonylContact C-O 3.47Å; S374-T541 WeakPolarHBondContact CA-O 3.21Å; S374-T541 PolarHBondContact N-O 3.35Å; K377-T541 WeakPolarHBondContact CB-O 3.43Å; T537-T541 WeakPolarHBondContact O-CG2 3.41Å; T537-T541 PolarHBondContact O-N 2.91Å; T537-T541 VanDerWaalsContact O-N 3.15Å; T537-T541 PolarHBondContact O-OG1 2.97Å; V538-T541 PolarHBondContact O-N 3.28Å; V538-T541 PolarHBondContact O-OG1 3.38Å; N539-T541 VanDerWaalsContact C-N 3.25Å; N539-T541 PolarHBondContact O-N 3.26Å |
| 542 | S | 97.6 | Very high | 96 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -139 | 8.1 | -172.3 | 67.8 | 0 | 0 | 0 | 0 | 116.6 | M416 R420 V538 N539 L544 | M416-S542 VanDerWaalsContact CE-CA 3.45Å; M416-S542 WeakPolarHBondContact CE-O 3.47Å; R420-S542 VanDerWaalsContact CD-OG 3.32Å; R420-S542 WeakPolarHBondContact CD-OG 3.44Å; V538-S542 WeakPolarHBondContact O-CB 3.46Å; V538-S542 PolarHBondContact O-N 3.48Å; V538-S542 PolarHBondContact O-OG 3.4Å; N539-S542 PolarHBondContact O-N 2.91Å; S542-L544 PolarHBondContact O-N 2.99Å |
| 543 | N | 95.4 | Very high | 96 | Very high | 31 Ų | 31 | 31.7 Ų | 31.7 | 17% | 0.166 | 16% | 0.161 | C | C | . | . | trans | -65.1 | 122.6 | 178.8 | 179.4 | 2 | 0 | 0 | 0 | 111.2 | N539 S545 C583 | N539-N543 WeakPolarHBondContact O-CA 3.47Å; N539-N543 WeakPolarHBondContact O-CB 3.43Å; N539-N543 PolarHBondContact O-N 2.96Å; N543-S545 PolarHBondContact ND2-OG 3.1Å; N543-S545 WeakPolarHBondContact OD1-CB 3.49Å; N543-S545 PolarHBondContact OD1-N 3.1Å; N543-S545 PolarHBondContact OD1-OG 3.07Å; N543-C583 WeakPolarHBondContact ND2-CB 3.36Å | ||
| 544 | L | 97.1 | Very high | 96 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | trans | -113 | 15.5 | 179.1 | -69.3 | 175.8 | 0 | 0 | 0 | 113.2 | V380 L413 M416 V417 S542 L546 Y547 L577 | V380-L544 HydrophobicContact CB-CD2 4.21Å; V380-L544 HydrophobicContact CG1-CD2 3.76Å; L413-L544 HydrophobicContact CD2-CD1 3.86Å; M416-L544 HydrophobicContact CE-CD1 4.05Å; M416-L544 HydrophobicContact CE-CD2 3.77Å; M416-L544 HydrophobicContact CE-CG 3.76Å; M416-L544 HydrophobicContact SD-CD1 3.72Å; M416-L544 HydrophobicContact SD-CD2 4Å; M416-L544 HydrophobicContact SD-CG 4.06Å; V417-L544 HydrophobicContact CG2-CD1 4.49Å; S542-L544 PolarHBondContact O-N 2.99Å; L544-L546 PolarHBondContact O-N 3.15Å; L544-Y547 HydrophobicContact CB-CD2 4.43Å; L544-Y547 PolarHBondContact O-N 2.71Å; L544-L577 HydrophobicContact CB-CD2 3.74Å; L544-L577 HydrophobicContact CD1-CD2 3.46Å; L544-L577 VanDerWaalsContact CD1-CD2 3.46Å; L544-L577 HydrophobicContact CG-CD2 4.26Å | ||
| 545 | S | 96.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 30.8 Ų | 30.8 | 7% | 0.07 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -57.7 | -18.3 | 177.5 | 61.7 | 0 | 0 | 0 | 0 | 113.9 | N543 Y547 C548 H580 | N543-S545 PolarHBondContact ND2-OG 3.1Å; N543-S545 WeakPolarHBondContact OD1-CB 3.49Å; N543-S545 PolarHBondContact OD1-N 3.1Å; N543-S545 PolarHBondContact OD1-OG 3.07Å; S545-Y547 PolarHBondContact O-N 3.46Å; S545-Y547 VanDerWaalsContact O-N 3.15Å; S545-C548 WeakPolarHBondContact O-CB 3.43Å; S545-C548 PolarHBondContact O-N 3.1Å; S545-H580 VanDerWaalsContact CB-O 3.23Å; S545-H580 WeakPolarHBondContact CB-O 3.26Å |
| 546 | L | 95.9 | Very high | 95.9 | Very high | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.099 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -57.5 | -27.5 | 175.9 | -171.7 | 58.8 | 0 | 0 | 0 | 112.8 | R295 E381 L544 C548 F549 Y550 | R295-L546 HydrophobicContact CB-CD1 4.28Å; E381-L546 HydrophobicContact CB-CD2 4.13Å; E381-L546 HydrophobicContact CG-CD2 3.8Å; L544-L546 PolarHBondContact O-N 3.15Å; L546-C548 PolarHBondContact O-N 3.11Å; L546-C548 VanDerWaalsContact O-N 3.12Å; L546-F549 HydrophobicContact CD1-CD2 4.25Å; L546-F549 PolarHBondContact O-N 3.4Å; L546-Y550 HydrophobicContact CD1-CD2 4.39Å; L546-Y550 HydrophobicContact CD1-CE2 3.98Å; L546-Y550 HydrophobicContact CD2-CE2 3.96Å; L546-Y550 HydrophobicContact CG-CD2 3.92Å; L546-Y550 HydrophobicContact CG-CE2 3.72Å |
| 547 | Y | 97 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -55.6 | -27.2 | 171.9 | -91.2 | -64.3 | 0 | 0 | 0 | 113.6 | V380 L384 L413 L544 S545 F549 Y550 F554 H557 L577 | V380-Y547 HydrophobicContact CG1-CE2 4.01Å; L384-Y547 HydrophobicContact CD1-CD1 3.92Å; L384-Y547 HydrophobicContact CD1-CD2 4.21Å; L384-Y547 HydrophobicContact CD1-CE1 3.92Å; L384-Y547 HydrophobicContact CD1-CE2 4.15Å; L384-Y547 HydrophobicContact CD1-CG 4.11Å; L384-Y547 HydrophobicContact CD2-CD1 3.87Å; L384-Y547 HydrophobicContact CD2-CE1 3.27Å; L384-Y547 HydrophobicContact CG-CE1 4.18Å; L413-Y547 HydrophobicContact CD1-CE2 4.22Å; L413-Y547 HydrophobicContact CD2-CE2 4.05Å; L544-Y547 HydrophobicContact CB-CD2 4.43Å; L544-Y547 PolarHBondContact O-N 2.71Å; S545-Y547 PolarHBondContact O-N 3.46Å; S545-Y547 VanDerWaalsContact O-N 3.15Å; Y547-F549 PolarHBondContact O-N 3.3Å; Y547-F549 VanDerWaalsContact O-N 3.14Å; Y547-Y550 CarbonylContact O-C 3.32Å; Y547-Y550 PolarHBondContact O-N 3.42Å; Y547-F554 HydrophobicContact CD1-CB 3.81Å; Y547-F554 AromaticContact CD1-CD2 3.33Å; Y547-F554 HydrophobicContact CD1-CD2 3.33Å; Y547-F554 HydrophobicContact CD1-CE2 4.26Å; Y547-F554 HydrophobicContact CD1-CG 4.01Å; Y547-F554 HydrophobicContact CD2-CD2 4.22Å; Y547-F554 HydrophobicContact CD2-CE2 4.4Å; Y547-F554 HydrophobicContact CE1-CB 4.34Å; Y547-F554 AromaticContact CE1-CD2 3.77Å; Y547-F554 HydrophobicContact CE1-CD2 3.77Å; Y547-F554 AromaticContact CG-CD2 3.54Å; Y547-F554 HydrophobicContact CG-CD2 3.54Å; Y547-F554 HydrophobicContact CG-CE2 4.05Å; Y547-F554 HydrophobicContact CG-CG 4.44Å; Y547-H557 AromaticContact CE1-ND1 3.78Å; Y547-H557 PolarHBondContact OH-ND1 2.86Å; Y547-L577 HydrophobicContact CD2-CD1 4.4Å; Y547-L577 HydrophobicContact CE2-CD1 4.4Å |
| 548 | C | 96.3 | Very high | 96 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.014 | 14% | 0.137 | C | C | . | . | G | 310 helix | trans | -56 | -29 | 173.6 | -175.6 | 0 | 0 | 0 | 0 | 112.2 | S545 L546 S551 F581 K599 | S545-C548 WeakPolarHBondContact O-CB 3.43Å; S545-C548 PolarHBondContact O-N 3.1Å; L546-C548 PolarHBondContact O-N 3.11Å; L546-C548 VanDerWaalsContact O-N 3.12Å; C548-S551 PolarHBondContact O-OG 3.43Å; C548-F581 HydrophobicContact CB-CB 4.32Å; C548-F581 HydrophobicContact CB-CD1 3.92Å; C548-F581 HydrophobicContact CB-CD2 3.77Å; C548-F581 HydrophobicContact CB-CE1 4.13Å; C548-F581 HydrophobicContact CB-CE2 3.99Å; C548-F581 HydrophobicContact CB-CG 3.74Å; C548-F581 HydrophobicContact CB-CZ 4.17Å; C548-K599 WeakPolarHBondContact O-CE 3.34Å; C548-K599 PolarHBondContact O-NZ 3.18Å |
| 549 | F | 96 | Very high | 95.9 | Very high | 37 Ų | 37 | 32.8 Ų | 32.8 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -98 | -7.2 | -179.8 | -53.3 | -78 | 0 | 0 | 0 | 113.2 | Y31 R295 D296 L546 Y547 C584 | Y31-F549 HydrophobicContact CE1-CD1 4.37Å; Y31-F549 HydrophobicContact CE1-CE1 4.16Å; Y31-F549 VanDerWaalsContact OH-CD1 3.25Å; Y31-F549 WeakPolarHBondContact OH-CD1 3.47Å; R295-F549 HydrophobicContact CB-CD1 4.44Å; R295-F549 HydrophobicContact CB-CD2 3.97Å; R295-F549 HydrophobicContact CB-CE2 4.35Å; R295-F549 HydrophobicContact CB-CG 4.03Å; R295-F549 HydrophobicContact CG-CD2 3.97Å; R295-F549 HydrophobicContact CG-CE2 3.84Å; R295-F549 HydrophobicContact CG-CG 4.38Å; R295-F549 HydrophobicContact CG-CZ 4.16Å; R295-F549 VanDerWaalsContact CZ-CZ 3.5Å; R295-F549 VanDerWaalsContact NE-CZ 3.31Å; D296-F549 HydrophobicContact CB-CB 4.02Å; L546-F549 HydrophobicContact CD1-CD2 4.25Å; L546-F549 PolarHBondContact O-N 3.4Å; Y547-F549 PolarHBondContact O-N 3.3Å; Y547-F549 VanDerWaalsContact O-N 3.14Å; F549-C584 HydrophobicContact CE2-CB 3.85Å; F549-C584 HydrophobicContact CZ-CB 4.25Å |
| 550 | Y | 95.7 | Very high | 95.7 | Very high | 9 Ų | 9 | 34.3 Ų | 34.3 | 4% | 0.035 | 17% | 0.169 | C | C | . | . | trans | -116 | 47.7 | 177.9 | -68.9 | -67.6 | 0 | 0 | 0 | 112.5 | D296 L384 R385 N388 Y389 L546 Y547 N552 L553 F554 | D296-Y550 WeakPolarHBondContact CA-OH 3.32Å; D296-Y550 HydrophobicContact CB-CE1 4.03Å; D296-Y550 HydrophobicContact CB-CE2 4.46Å; L384-Y550 HydrophobicContact CB-CD2 3.86Å; L384-Y550 HydrophobicContact CB-CE2 4.01Å; L384-Y550 HydrophobicContact CB-CG 4.26Å; L384-Y550 HydrophobicContact CD1-CD2 4.11Å; L384-Y550 HydrophobicContact CG-CD2 4.5Å; R385-Y550 WeakPolarHBondContact CG-OH 3.11Å; N388-Y550 WeakPolarHBondContact ND2-CD1 3.45Å; N388-Y550 VanDerWaalsContact ND2-CE1 3.3Å; N388-Y550 WeakPolarHBondContact ND2-CE1 3.26Å; Y389-Y550 HydrophobicContact CE2-CE1 4.45Å; L546-Y550 HydrophobicContact CD1-CD2 4.39Å; L546-Y550 HydrophobicContact CD1-CE2 3.98Å; L546-Y550 HydrophobicContact CD2-CE2 3.96Å; L546-Y550 HydrophobicContact CG-CD2 3.92Å; L546-Y550 HydrophobicContact CG-CE2 3.72Å; Y547-Y550 CarbonylContact O-C 3.32Å; Y547-Y550 PolarHBondContact O-N 3.42Å; Y550-N552 PolarHBondContact O-N 2.9Å; Y550-L553 HydrophobicContact CD1-CD1 4.45Å; Y550-L553 PolarHBondContact O-N 2.98Å; Y550-L553 VanDerWaalsContact O-N 3.08Å; Y550-F554 PolarHBondContact O-N 3.15Å | ||
| 551 | S | 92 | Very high | 95.8 | Very high | 24 Ų | 24 | 31 Ų | 31 | 17% | 0.168 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -41 | -169.7 | -53 | 0 | 0 | 0 | 0 | 114.6 | C548 L553 F554 E555 K599 | C548-S551 PolarHBondContact O-OG 3.43Å; S551-L553 VanDerWaalsContact C-N 3.31Å; S551-L553 PolarHBondContact O-N 3.46Å; S551-F554 WeakPolarHBondContact O-CB 3.35Å; S551-F554 PolarHBondContact O-N 3.36Å; S551-E555 PolarHBondContact O-N 3.36Å; S551-K599 WeakPolarHBondContact OG-CE 3.48Å; S551-K599 PolarHBondContact OG-NZ 3.31Å |
| 552 | N | 93.2 | Very high | 95.6 | Very high | 128 Ų | 128 | 32.3 Ų | 32.3 | 68% | 0.684 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -61.8 | -40.5 | 177.9 | -66.6 | -17.3 | 0 | 0 | 0 | 111.8 | Y550 T556 | Y550-N552 PolarHBondContact O-N 2.9Å; N552-T556 WeakPolarHBondContact O-CB 3.41Å; N552-T556 PolarHBondContact O-N 2.73Å; N552-T556 PolarHBondContact O-OG1 3.31Å |
| 553 | L | 94.2 | Very high | 95.2 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 9% | 0.089 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -70.3 | -40.7 | 176 | -71.6 | -177.4 | 0 | 0 | 0 | 111.2 | L384 T387 N388 Y550 S551 E555 T556 H557 | L384-L553 HydrophobicContact CD2-CB 4.42Å; L384-L553 HydrophobicContact CD2-CD1 4.17Å; L384-L553 WeakPolarHBondContact O-CD1 3.36Å; T387-L553 HydrophobicContact CG2-CD1 4.32Å; T387-L553 HydrophobicContact CG2-CD2 3.68Å; N388-L553 WeakPolarHBondContact ND2-CD1 3.2Å; Y550-L553 HydrophobicContact CD1-CD1 4.45Å; Y550-L553 PolarHBondContact O-N 2.98Å; Y550-L553 VanDerWaalsContact O-N 3.08Å; S551-L553 VanDerWaalsContact C-N 3.31Å; S551-L553 PolarHBondContact O-N 3.46Å; L553-E555 PolarHBondContact O-N 2.8Å; L553-T556 PolarHBondContact O-N 2.99Å; L553-T556 VanDerWaalsContact O-N 3.17Å; L553-H557 WeakPolarHBondContact O-CB 3.48Å; L553-H557 PolarHBondContact O-CD2 2.87Å; L553-H557 PolarHBondContact O-N 3.1Å |
| 554 | F | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58 | -49.4 | 177.1 | -171 | -110.2 | 0 | 0 | 0 | 112 | Y547 Y550 S551 T556 H557 F558 F574 L577 F581 L603 L607 | Y547-F554 HydrophobicContact CD1-CB 3.81Å; Y547-F554 AromaticContact CD1-CD2 3.33Å; Y547-F554 HydrophobicContact CD1-CD2 3.33Å; Y547-F554 HydrophobicContact CD1-CE2 4.26Å; Y547-F554 HydrophobicContact CD1-CG 4.01Å; Y547-F554 HydrophobicContact CD2-CD2 4.22Å; Y547-F554 HydrophobicContact CD2-CE2 4.4Å; Y547-F554 HydrophobicContact CE1-CB 4.34Å; Y547-F554 AromaticContact CE1-CD2 3.77Å; Y547-F554 HydrophobicContact CE1-CD2 3.77Å; Y547-F554 AromaticContact CG-CD2 3.54Å; Y547-F554 HydrophobicContact CG-CD2 3.54Å; Y547-F554 HydrophobicContact CG-CE2 4.05Å; Y547-F554 HydrophobicContact CG-CG 4.44Å; Y550-F554 PolarHBondContact O-N 3.15Å; S551-F554 WeakPolarHBondContact O-CB 3.35Å; S551-F554 PolarHBondContact O-N 3.36Å; F554-T556 VanDerWaalsContact C-N 3.33Å; F554-T556 PolarHBondContact O-N 3.03Å; F554-H557 PolarHBondContact O-N 3.25Å; F554-F558 PolarHBondContact O-N 3.2Å; F554-F574 AromaticContact CD2-CD1 3.94Å; F554-F574 HydrophobicContact CD2-CD1 3.94Å; F554-F574 HydrophobicContact CD2-CE1 4.32Å; F554-F574 HydrophobicContact CE1-CD1 4.48Å; F554-F574 AromaticContact CE2-CD1 3.61Å; F554-F574 HydrophobicContact CE2-CD1 3.61Å; F554-F574 HydrophobicContact CE2-CE1 4.33Å; F554-F574 HydrophobicContact CZ-CB 4.14Å; F554-F574 AromaticContact CZ-CD1 3.93Å; F554-F574 HydrophobicContact CZ-CD1 3.93Å; F554-F574 WeakPolarHBondContact CZ-O 3.28Å; F554-L577 HydrophobicContact CE2-CB 4.05Å; F554-L577 HydrophobicContact CE2-CD1 3.92Å; F554-L577 HydrophobicContact CZ-CB 4.11Å; F554-F581 HydrophobicContact CE1-CZ 4.47Å; F554-F581 HydrophobicContact CZ-CZ 4.35Å; F554-L603 HydrophobicContact CD1-CD1 4.29Å; F554-L603 HydrophobicContact CD1-CD2 3.52Å; F554-L603 HydrophobicContact CD1-CG 4.16Å; F554-L603 HydrophobicContact CE1-CD1 4.39Å; F554-L603 HydrophobicContact CE1-CD2 3.37Å; F554-L603 HydrophobicContact CE1-CG 3.86Å; F554-L603 HydrophobicContact CZ-CD2 4.47Å; F554-L607 HydrophobicContact CE1-CD1 3.71Å; F554-L607 HydrophobicContact CZ-CD1 4.24Å |
| 555 | E | 95.8 | Very high | 94.5 | Very high | 48 Ų | 48 | 40.2 Ų | 40.2 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 174.4 | -73.3 | -177.2 | -143.2 | 0 | 0 | 112.5 | S551 L553 F558 R559 L603 | S551-E555 PolarHBondContact O-N 3.36Å; L553-E555 PolarHBondContact O-N 2.8Å; E555-F558 PolarHBondContact O-N 3.05Å; E555-R559 WeakPolarHBondContact O-CB 3.33Å; E555-R559 WeakPolarHBondContact O-CG 3.41Å; E555-R559 PolarHBondContact O-N 3.48Å; E555-R559 IonicContact OE2-CZ 3.07Å; E555-R559 IonicContact OE2-NH1 3.73Å; E555-R559 PolarHBondContact OE2-NH1 2.87Å; E555-R559 VanDerWaalsContact OE2-NH1 3.17Å; E555-R559 IonicContact OE2-NH2 2.94Å; E555-R559 PolarHBondContact OE2-NH2 3.2Å; E555-L603 HydrophobicContact CG-CD1 4.42Å |
| 556 | T | 94.7 | Very high | 94 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 40% | 0.399 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 177.4 | -60.9 | 0 | 0 | 0 | 0 | 111 | N552 L553 F554 F558 R559 M560 | N552-T556 WeakPolarHBondContact O-CB 3.41Å; N552-T556 PolarHBondContact O-N 2.73Å; N552-T556 PolarHBondContact O-OG1 3.31Å; L553-T556 PolarHBondContact O-N 2.99Å; L553-T556 VanDerWaalsContact O-N 3.17Å; F554-T556 VanDerWaalsContact C-N 3.33Å; F554-T556 PolarHBondContact O-N 3.03Å; T556-F558 VanDerWaalsContact C-N 3.33Å; T556-F558 PolarHBondContact O-N 3.41Å; T556-R559 PolarHBondContact O-N 3.44Å; T556-M560 HydrophobicContact CG2-CG 4.33Å; T556-M560 WeakPolarHBondContact O-CB 3.22Å; T556-M560 WeakPolarHBondContact O-CG 3.29Å; T556-M560 PolarHBondContact O-N 3.24Å |
| 557 | H | 96.1 | Very high | 94 | Very high | 27 Ų | 27 | 42 Ų | 42 | 13% | 0.125 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 177 | -66.4 | 170.2 | 0 | 0 | 0 | 111.4 | L409 Y547 L553 F554 C561 F574 | L409-H557 WeakPolarHBondContact CD2-CE1 3.39Å; L409-H557 WeakPolarHBondContact CD2-ND1 3.27Å; Y547-H557 AromaticContact CE1-ND1 3.78Å; Y547-H557 PolarHBondContact OH-ND1 2.86Å; L553-H557 WeakPolarHBondContact O-CB 3.48Å; L553-H557 PolarHBondContact O-CD2 2.87Å; L553-H557 PolarHBondContact O-N 3.1Å; F554-H557 PolarHBondContact O-N 3.25Å; H557-C561 WeakPolarHBondContact O-CB 3.3Å; H557-C561 PolarHBondContact O-N 3.23Å; H557-F574 HydrophobicContact CB-CE1 3.71Å; H557-F574 HydrophobicContact CB-CZ 3.79Å |
| 558 | F | 97.8 | Very high | 94 | Very high | 7 Ų | 7 | 42 Ų | 42 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -51.8 | 173.9 | 170.6 | -99 | 0 | 0 | 0 | 112.4 | F554 E555 T556 M560 C561 L562 V571 F574 L607 E610 M611 | F554-F558 PolarHBondContact O-N 3.2Å; E555-F558 PolarHBondContact O-N 3.05Å; T556-F558 VanDerWaalsContact C-N 3.33Å; T556-F558 PolarHBondContact O-N 3.41Å; F558-M560 VanDerWaalsContact C-N 3.31Å; F558-M560 PolarHBondContact O-N 3.39Å; F558-C561 VanDerWaalsContact O-CB 3.3Å; F558-C561 WeakPolarHBondContact O-CB 3.28Å; F558-C561 PolarHBondContact O-N 3.1Å; F558-C561 VanDerWaalsContact O-N 3.11Å; F558-L562 HydrophobicContact CD1-CD1 4.28Å; F558-L562 HydrophobicContact CE1-CD1 3.55Å; F558-L562 HydrophobicContact CE1-CG 4.48Å; F558-L562 HydrophobicContact CE2-CD1 4.29Å; F558-L562 HydrophobicContact CZ-CD1 3.58Å; F558-L562 HydrophobicContact CZ-CG 4.32Å; F558-L562 PolarHBondContact O-N 3.5Å; F558-L562 VanDerWaalsContact O-N 3.09Å; F558-V571 HydrophobicContact CD2-CG2 3.47Å; F558-V571 VanDerWaalsContact CD2-CG2 3.47Å; F558-V571 HydrophobicContact CE2-CG2 3.35Å; F558-V571 HydrophobicContact CZ-CG2 4.31Å; F558-F574 HydrophobicContact CB-CD1 4.01Å; F558-F574 HydrophobicContact CB-CD2 4.26Å; F558-F574 HydrophobicContact CB-CE1 4.22Å; F558-F574 HydrophobicContact CB-CE2 4.46Å; F558-F574 HydrophobicContact CB-CG 4.05Å; F558-F574 HydrophobicContact CB-CZ 4.45Å; F558-F574 HydrophobicContact CD2-CB 3.88Å; F558-F574 AromaticContact CD2-CD2 3.92Å; F558-F574 HydrophobicContact CD2-CD2 3.92Å; F558-F574 AromaticContact CD2-CG 3.95Å; F558-F574 HydrophobicContact CD2-CG 3.95Å; F558-L607 HydrophobicContact CB-CD2 3.96Å; F558-L607 HydrophobicContact CD1-CD2 3.52Å; F558-L607 HydrophobicContact CD2-CB 4.5Å; F558-L607 HydrophobicContact CD2-CD2 3.46Å; F558-L607 VanDerWaalsContact CD2-CD2 3.46Å; F558-L607 HydrophobicContact CD2-CG 4.44Å; F558-L607 HydrophobicContact CE1-CD2 3.76Å; F558-L607 HydrophobicContact CE2-CB 3.97Å; F558-L607 HydrophobicContact CE2-CD2 3.66Å; F558-L607 HydrophobicContact CE2-CG 4.36Å; F558-L607 HydrophobicContact CG-CD2 3.36Å; F558-L607 HydrophobicContact CZ-CB 4.16Å; F558-L607 HydrophobicContact CZ-CD2 3.82Å; F558-L607 WeakPolarHBondContact CZ-O 3.21Å; F558-E610 HydrophobicContact CE1-CB 3.8Å; F558-E610 HydrophobicContact CE1-CG 4.48Å; F558-E610 HydrophobicContact CZ-CB 3.87Å; F558-M611 HydrophobicContact CE2-CG 3.88Å; F558-M611 HydrophobicContact CE2-SD 4.31Å; F558-M611 HydrophobicContact CZ-CG 4.01Å |
| 559 | R | 95.4 | Very high | 94 | Very high | 142 Ų | 142 | 45.2 Ų | 45.2 | 54% | 0.536 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -40.4 | 179.4 | -72.3 | -179.5 | -174.2 | 115.1 | 9.1 | 111.9 | E555 T556 C561 L562 A563 | E555-R559 WeakPolarHBondContact O-CB 3.33Å; E555-R559 WeakPolarHBondContact O-CG 3.41Å; E555-R559 PolarHBondContact O-N 3.48Å; E555-R559 IonicContact OE2-CZ 3.07Å; E555-R559 IonicContact OE2-NH1 3.73Å; E555-R559 PolarHBondContact OE2-NH1 2.87Å; E555-R559 VanDerWaalsContact OE2-NH1 3.17Å; E555-R559 IonicContact OE2-NH2 2.94Å; E555-R559 PolarHBondContact OE2-NH2 3.2Å; T556-R559 PolarHBondContact O-N 3.44Å; R559-C561 VanDerWaalsContact C-N 3.35Å; R559-L562 PolarHBondContact O-N 2.91Å; R559-A563 WeakPolarHBondContact O-CB 3.31Å; R559-A563 PolarHBondContact O-N 3.15Å |
| 560 | M | 93.4 | Very high | 94.1 | Very high | 77 Ų | 77 | 43.9 Ų | 43.9 | 38% | 0.379 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.8 | -41.7 | 175.3 | -71 | -69.1 | -86.7 | 0 | 0 | 111.2 | T556 F558 L562 A563 Y564 | T556-M560 HydrophobicContact CG2-CG 4.33Å; T556-M560 WeakPolarHBondContact O-CB 3.22Å; T556-M560 WeakPolarHBondContact O-CG 3.29Å; T556-M560 PolarHBondContact O-N 3.24Å; F558-M560 VanDerWaalsContact C-N 3.31Å; F558-M560 PolarHBondContact O-N 3.39Å; M560-L562 VanDerWaalsContact C-N 3.34Å; M560-L562 PolarHBondContact O-N 3.32Å; M560-A563 PolarHBondContact O-N 3.39Å; M560-A563 VanDerWaalsContact O-N 3.11Å; M560-Y564 HydrophobicContact CB-CD2 4.46Å; M560-Y564 HydrophobicContact CB-CE2 4.25Å; M560-Y564 HydrophobicContact CE-CE2 3.5Å; M560-Y564 WeakPolarHBondContact CE-OH 3.26Å; M560-Y564 WeakPolarHBondContact O-CD2 3.49Å; M560-Y564 PolarHBondContact O-N 3.31Å; M560-Y564 VanDerWaalsContact O-N 3.13Å; M560-Y564 HydrophobicContact SD-CE2 3.99Å |
| 561 | C | 97 | Very high | 94.2 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 176.1 | -176 | 0 | 0 | 0 | 0 | 112.2 | P410 H557 F558 R559 A563 Y564 Q567 S568 V571 F574 | P410-C561 HydrophobicContact CB-CB 4.19Å; P410-C561 VanDerWaalsContact CB-SG 3.59Å; P410-C561 HydrophobicContact CG-CB 3.64Å; H557-C561 WeakPolarHBondContact O-CB 3.3Å; H557-C561 PolarHBondContact O-N 3.23Å; F558-C561 VanDerWaalsContact O-CB 3.3Å; F558-C561 WeakPolarHBondContact O-CB 3.28Å; F558-C561 PolarHBondContact O-N 3.1Å; F558-C561 VanDerWaalsContact O-N 3.11Å; R559-C561 VanDerWaalsContact C-N 3.35Å; C561-A563 VanDerWaalsContact C-N 3.35Å; C561-A563 PolarHBondContact O-N 3.46Å; C561-Y564 PolarHBondContact O-N 3.15Å; C561-Q567 PolarHBondContact SG-O 3.1Å; C561-S568 PolarHBondContact O-N 2.85Å; C561-V571 HydrophobicContact CB-CG2 4.37Å; C561-V571 VanDerWaalsContact SG-CA 3.58Å; C561-F574 HydrophobicContact CB-CE2 3.86Å; C561-F574 HydrophobicContact CB-CZ 4.49Å |
| 562 | L | 93.7 | Very high | 94.5 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 15% | 0.152 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.5 | -38.4 | 174.2 | -72.1 | 176.3 | 0 | 0 | 0 | 112.6 | F558 R559 M560 Y564 V571 L699 | F558-L562 HydrophobicContact CD1-CD1 4.28Å; F558-L562 HydrophobicContact CE1-CD1 3.55Å; F558-L562 HydrophobicContact CE1-CG 4.48Å; F558-L562 HydrophobicContact CE2-CD1 4.29Å; F558-L562 HydrophobicContact CZ-CD1 3.58Å; F558-L562 HydrophobicContact CZ-CG 4.32Å; F558-L562 PolarHBondContact O-N 3.5Å; F558-L562 VanDerWaalsContact O-N 3.09Å; R559-L562 PolarHBondContact O-N 2.91Å; M560-L562 VanDerWaalsContact C-N 3.34Å; M560-L562 PolarHBondContact O-N 3.32Å; L562-Y564 VanDerWaalsContact C-N 3.3Å; L562-Y564 PolarHBondContact O-N 3.03Å; L562-V571 HydrophobicContact CD2-CB 4.23Å; L562-V571 HydrophobicContact CD2-CG1 4.1Å; L562-V571 HydrophobicContact CD2-CG2 3.77Å; L562-V571 HydrophobicContact CG-CG2 3.9Å; L562-L699 HydrophobicContact CD2-CD2 3.86Å |
| 563 | A | 89.8 | Confident | 94.7 | Very high | 69 Ų | 69 | 36.4 Ų | 36.4 | 57% | 0.57 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -73.1 | -16.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R559 M560 C561 P565 | R559-A563 WeakPolarHBondContact O-CB 3.31Å; R559-A563 PolarHBondContact O-N 3.15Å; M560-A563 PolarHBondContact O-N 3.39Å; M560-A563 VanDerWaalsContact O-N 3.11Å; C561-A563 VanDerWaalsContact C-N 3.35Å; C561-A563 PolarHBondContact O-N 3.46Å; A563-P565 WeakPolarHBondContact O-CD 3.31Å |
| 564 | Y | 90 | Very high | 94.9 | Very high | 65 Ų | 65 | 35.6 Ų | 35.6 | 26% | 0.255 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -108 | 105.5 | 177.6 | -67.7 | -66.9 | 0 | 0 | 0 | 110.8 | R407 M560 C561 L562 S566 Q567 S568 | R407-Y564 HydrophobicContact CB-CD2 4.29Å; R407-Y564 HydrophobicContact CB-CE2 4.27Å; R407-Y564 VanDerWaalsContact CD-CZ 3.44Å; R407-Y564 HydrophobicContact CG-CD2 4.24Å; R407-Y564 HydrophobicContact CG-CE2 3.72Å; R407-Y564 PolarHBondContact NE-OH 3.45Å; M560-Y564 HydrophobicContact CB-CD2 4.46Å; M560-Y564 HydrophobicContact CB-CE2 4.25Å; M560-Y564 HydrophobicContact CE-CE2 3.5Å; M560-Y564 WeakPolarHBondContact CE-OH 3.26Å; M560-Y564 WeakPolarHBondContact O-CD2 3.49Å; M560-Y564 PolarHBondContact O-N 3.31Å; M560-Y564 VanDerWaalsContact O-N 3.13Å; M560-Y564 HydrophobicContact SD-CE2 3.99Å; C561-Y564 PolarHBondContact O-N 3.15Å; L562-Y564 VanDerWaalsContact C-N 3.3Å; L562-Y564 PolarHBondContact O-N 3.03Å; Y564-S566 VanDerWaalsContact C-N 3.29Å; Y564-S566 PolarHBondContact O-N 3.19Å; Y564-S566 VanDerWaalsContact O-N 3.12Å; Y564-Q567 WeakPolarHBondContact O-CA 3.35Å; Y564-Q567 PolarHBondContact O-N 2.85Å; Y564-S568 PolarHBondContact O-N 3.38Å; Y564-S568 VanDerWaalsContact O-N 3.08Å |
| 565 | P | 86.2 | Confident | 95 | Very high | 67 Ų | 67 | 35.7 Ų | 35.7 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -53 | -40.6 | -174.3 | -31.2 | 36.5 | 0 | 0 | 0 | 114.8 | A563 Q567 S568 F694 | A563-P565 WeakPolarHBondContact O-CD 3.31Å; P565-Q567 PolarHBondContact O-N 3.23Å; P565-Q567 VanDerWaalsContact O-N 3.12Å; P565-S568 PolarHBondContact O-N 3.41Å; P565-S568 PolarHBondContact O-OG 2.95Å; P565-F694 HydrophobicContact CB-CD1 4.03Å; P565-F694 HydrophobicContact CB-CE1 3.71Å |
| 566 | S | 87.9 | Confident | 95.1 | Very high | 63 Ų | 63 | 35.1 Ų | 35.1 | 44% | 0.441 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.4 | -8 | 178.3 | 60.9 | 0 | 0 | 0 | 0 | 114.8 | Y564 | Y564-S566 VanDerWaalsContact C-N 3.29Å; Y564-S566 PolarHBondContact O-N 3.19Å; Y564-S566 VanDerWaalsContact O-N 3.12Å |
| 567 | Q | 95.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.019 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -113.4 | -17.4 | 177.8 | -65.5 | -65.3 | -62.8 | 0 | 0 | 112.7 | R407 M408 C561 Y564 P565 R569 F570 | R407-Q567 WeakPolarHBondContact O-CG 3.42Å; M408-Q567 HydrophobicContact CG-CG 4.5Å; M408-Q567 PolarHBondContact SD-NE2 3.19Å; C561-Q567 PolarHBondContact SG-O 3.1Å; Y564-Q567 WeakPolarHBondContact O-CA 3.35Å; Y564-Q567 PolarHBondContact O-N 2.85Å; P565-Q567 PolarHBondContact O-N 3.23Å; P565-Q567 VanDerWaalsContact O-N 3.12Å; Q567-R569 PolarHBondContact O-N 3.01Å; Q567-R569 VanDerWaalsContact O-N 3.1Å; Q567-F570 WeakPolarHBondContact O-CB 3.43Å; Q567-F570 PolarHBondContact O-N 2.92Å |
| 568 | S | 96.2 | Very high | 95.3 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.3 | -34.3 | -176.4 | 63.1 | 0 | 0 | 0 | 0 | 113.4 | C561 Y564 P565 F570 V571 E698 | C561-S568 PolarHBondContact O-N 2.85Å; Y564-S568 PolarHBondContact O-N 3.38Å; Y564-S568 VanDerWaalsContact O-N 3.08Å; P565-S568 PolarHBondContact O-N 3.41Å; P565-S568 PolarHBondContact O-OG 2.95Å; S568-F570 PolarHBondContact O-N 3.06Å; S568-F570 VanDerWaalsContact O-N 3.15Å; S568-V571 VanDerWaalsContact O-CB 3.27Å; S568-V571 WeakPolarHBondContact O-CB 3.41Å; S568-V571 WeakPolarHBondContact O-CG1 3.29Å; S568-V571 PolarHBondContact O-N 2.94Å; S568-E698 WeakPolarHBondContact OG-CB 3.08Å |
| 569 | R | 96.8 | Very high | 95.2 | Very high | 68 Ų | 68 | 32.3 Ų | 32.3 | 26% | 0.257 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -27.1 | 175.6 | 80.5 | -178.4 | -44.1 | 128.4 | 7.2 | 115 | Q567 V571 E698 F701 A702 | Q567-R569 PolarHBondContact O-N 3.01Å; Q567-R569 VanDerWaalsContact O-N 3.1Å; R569-V571 VanDerWaalsContact C-N 3.35Å; R569-E698 WeakPolarHBondContact CA-O 3.17Å; R569-E698 HydrophobicContact CB-CB 4.22Å; R569-E698 VanDerWaalsContact CB-OE2 3.32Å; R569-E698 WeakPolarHBondContact CB-OE2 3.16Å; R569-E698 VanDerWaalsContact CD-OE2 3.23Å; R569-E698 WeakPolarHBondContact CD-OE2 3.45Å; R569-E698 IonicContact CZ-OE1 3.03Å; R569-E698 IonicContact CZ-OE2 2.72Å; R569-E698 IonicContact NE-OE2 3.32Å; R569-E698 IonicContact NH1-OE1 2.81Å; R569-E698 PolarHBondContact NH1-OE1 2.96Å; R569-E698 IonicContact NH1-OE2 3.58Å; R569-E698 PolarHBondContact NH1-OE2 2.93Å; R569-E698 IonicContact NH2-OE1 3.98Å; R569-F701 HydrophobicContact CB-CD1 3.74Å; R569-F701 HydrophobicContact CB-CE1 4.26Å; R569-A702 WeakPolarHBondContact O-CB 3.32Å |
| 570 | F | 98.3 | Very high | 95.3 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 4% | 0.044 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -2.2 | -177.8 | -55 | -63.7 | 0 | 0 | 0 | 112.2 | P410 E411 F414 Q567 S568 C572 V573 | P410-F570 HydrophobicContact CB-CB 4.01Å; E411-F570 HydrophobicContact CB-CD2 3.75Å; E411-F570 HydrophobicContact CB-CE2 3.65Å; E411-F570 HydrophobicContact CB-CG 4.25Å; E411-F570 HydrophobicContact CB-CZ 4.04Å; E411-F570 HydrophobicContact CG-CD2 4.28Å; E411-F570 HydrophobicContact CG-CE1 4.11Å; E411-F570 HydrophobicContact CG-CE2 3.72Å; E411-F570 HydrophobicContact CG-CZ 3.61Å; F414-F570 HydrophobicContact CB-CB 4.2Å; F414-F570 HydrophobicContact CB-CD1 3.76Å; F414-F570 HydrophobicContact CB-CG 4.3Å; F414-F570 AromaticContact CD1-CD1 3.64Å; F414-F570 HydrophobicContact CD1-CD1 3.64Å; F414-F570 AromaticContact CD1-CE1 3.81Å; F414-F570 HydrophobicContact CD1-CE1 3.81Å; F414-F570 HydrophobicContact CD2-CD1 4.01Å; F414-F570 HydrophobicContact CE1-CD1 4.2Å; F414-F570 HydrophobicContact CE1-CE1 4.17Å; F414-F570 AromaticContact CG-CD1 3.53Å; F414-F570 HydrophobicContact CG-CD1 3.53Å; F414-F570 HydrophobicContact CG-CE1 4.19Å; F414-F570 HydrophobicContact CG-CG 4.46Å; Q567-F570 WeakPolarHBondContact O-CB 3.43Å; Q567-F570 PolarHBondContact O-N 2.92Å; S568-F570 PolarHBondContact O-N 3.06Å; S568-F570 VanDerWaalsContact O-N 3.15Å; F570-C572 PolarHBondContact O-N 3.1Å; F570-C572 VanDerWaalsContact O-N 3.1Å; F570-V573 WeakPolarHBondContact O-CB 3.37Å; F570-V573 WeakPolarHBondContact O-CG1 3.35Å; F570-V573 PolarHBondContact O-N 2.99Å; F570-V573 VanDerWaalsContact O-N 3.09Å |
| 571 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24 | -178.1 | 77.7 | 0 | 0 | 0 | 0 | 112.6 | F558 C561 L562 S568 R569 V573 F574 P575 M611 A702 | F558-V571 HydrophobicContact CD2-CG2 3.47Å; F558-V571 VanDerWaalsContact CD2-CG2 3.47Å; F558-V571 HydrophobicContact CE2-CG2 3.35Å; F558-V571 HydrophobicContact CZ-CG2 4.31Å; C561-V571 HydrophobicContact CB-CG2 4.37Å; C561-V571 VanDerWaalsContact SG-CA 3.58Å; L562-V571 HydrophobicContact CD2-CB 4.23Å; L562-V571 HydrophobicContact CD2-CG1 4.1Å; L562-V571 HydrophobicContact CD2-CG2 3.77Å; L562-V571 HydrophobicContact CG-CG2 3.9Å; S568-V571 VanDerWaalsContact O-CB 3.27Å; S568-V571 WeakPolarHBondContact O-CB 3.41Å; S568-V571 WeakPolarHBondContact O-CG1 3.29Å; S568-V571 PolarHBondContact O-N 2.94Å; R569-V571 VanDerWaalsContact C-N 3.35Å; V571-V573 PolarHBondContact O-N 3.49Å; V571-V573 VanDerWaalsContact O-N 3.1Å; V571-F574 HydrophobicContact CG2-CD2 4.23Å; V571-F574 WeakPolarHBondContact O-CD2 2.8Å; V571-F574 PolarHBondContact O-N 3.49Å; V571-F574 VanDerWaalsContact O-N 3.14Å; V571-P575 WeakPolarHBondContact O-CD 3.19Å; V571-M611 HydrophobicContact CG1-CE 3.8Å; V571-M611 HydrophobicContact CG1-CG 3.89Å; V571-M611 HydrophobicContact CG1-SD 3.93Å; V571-M611 HydrophobicContact CG2-CG 4.22Å; V571-M611 HydrophobicContact CG2-SD 4.44Å; V571-A702 HydrophobicContact CG1-CB 3.68Å |
| 572 | C | 97.4 | Very high | 95.4 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -22 | 175.2 | 63.1 | 0 | 0 | 0 | 0 | 114 | F570 F574 P575 A702 Y706 | F570-C572 PolarHBondContact O-N 3.1Å; F570-C572 VanDerWaalsContact O-N 3.1Å; C572-F574 VanDerWaalsContact C-N 3.29Å; C572-F574 PolarHBondContact O-N 3.39Å; C572-P575 WeakPolarHBondContact O-CD 3.12Å; C572-A702 HydrophobicContact CB-CB 4.15Å; C572-A702 WeakPolarHBondContact CB-O 3.3Å; C572-Y706 HydrophobicContact CB-CD2 3.82Å; C572-Y706 HydrophobicContact CB-CE2 3.78Å; C572-Y706 WeakPolarHBondContact O-CE2 3.5Å |
| 573 | V | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -30 | 177.9 | 78.1 | 0 | 0 | 0 | 0 | 112.4 | L413 F414 V417 F570 V571 M576 L577 | L413-V573 HydrophobicContact CB-CG1 4.12Å; L413-V573 HydrophobicContact CB-CG2 4.15Å; F414-V573 HydrophobicContact CB-CB 4.41Å; V417-V573 HydrophobicContact CB-CG2 4.07Å; V417-V573 HydrophobicContact CG2-CG2 3.72Å; F570-V573 WeakPolarHBondContact O-CB 3.37Å; F570-V573 WeakPolarHBondContact O-CG1 3.35Å; F570-V573 PolarHBondContact O-N 2.99Å; F570-V573 VanDerWaalsContact O-N 3.09Å; V571-V573 PolarHBondContact O-N 3.49Å; V571-V573 VanDerWaalsContact O-N 3.1Å; V573-M576 WeakPolarHBondContact O-CB 3.46Å; V573-M576 PolarHBondContact O-N 2.72Å; V573-L577 HydrophobicContact CG2-CD1 4.36Å; V573-L577 HydrophobicContact CG2-CG 4.29Å; V573-L577 VanDerWaalsContact O-CG 3.3Å; V573-L577 WeakPolarHBondContact O-CG 3.39Å; V573-L577 PolarHBondContact O-N 3.09Å |
| 574 | F | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.3 | -48.1 | -175.3 | -67.6 | -87.7 | 0 | 0 | 0 | 112.7 | P410 L413 F554 H557 F558 C561 V571 C572 M576 L577 L607 | P410-F574 HydrophobicContact CB-CE2 4.18Å; P410-F574 HydrophobicContact CG-CE2 4.22Å; P410-F574 HydrophobicContact CG-CZ 4.24Å; L413-F574 HydrophobicContact CD1-CE1 4.46Å; L413-F574 HydrophobicContact CD1-CZ 4.47Å; F554-F574 AromaticContact CD2-CD1 3.94Å; F554-F574 HydrophobicContact CD2-CD1 3.94Å; F554-F574 HydrophobicContact CD2-CE1 4.32Å; F554-F574 HydrophobicContact CE1-CD1 4.48Å; F554-F574 AromaticContact CE2-CD1 3.61Å; F554-F574 HydrophobicContact CE2-CD1 3.61Å; F554-F574 HydrophobicContact CE2-CE1 4.33Å; F554-F574 HydrophobicContact CZ-CB 4.14Å; F554-F574 AromaticContact CZ-CD1 3.93Å; F554-F574 HydrophobicContact CZ-CD1 3.93Å; F554-F574 WeakPolarHBondContact CZ-O 3.28Å; H557-F574 HydrophobicContact CB-CE1 3.71Å; H557-F574 HydrophobicContact CB-CZ 3.79Å; F558-F574 HydrophobicContact CB-CD1 4.01Å; F558-F574 HydrophobicContact CB-CD2 4.26Å; F558-F574 HydrophobicContact CB-CE1 4.22Å; F558-F574 HydrophobicContact CB-CE2 4.46Å; F558-F574 HydrophobicContact CB-CG 4.05Å; F558-F574 HydrophobicContact CB-CZ 4.45Å; F558-F574 HydrophobicContact CD2-CB 3.88Å; F558-F574 AromaticContact CD2-CD2 3.92Å; F558-F574 HydrophobicContact CD2-CD2 3.92Å; F558-F574 AromaticContact CD2-CG 3.95Å; F558-F574 HydrophobicContact CD2-CG 3.95Å; C561-F574 HydrophobicContact CB-CE2 3.86Å; C561-F574 HydrophobicContact CB-CZ 4.49Å; V571-F574 HydrophobicContact CG2-CD2 4.23Å; V571-F574 WeakPolarHBondContact O-CD2 2.8Å; V571-F574 PolarHBondContact O-N 3.49Å; V571-F574 VanDerWaalsContact O-N 3.14Å; C572-F574 VanDerWaalsContact C-N 3.29Å; C572-F574 PolarHBondContact O-N 3.39Å; F574-M576 VanDerWaalsContact C-N 3.28Å; F574-M576 PolarHBondContact O-N 3.38Å; F574-L577 PolarHBondContact O-N 2.91Å; F574-L607 HydrophobicContact CB-CD1 3.86Å |
| 575 | P | 98.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.013 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -54.6 | -42.9 | 169 | -26.9 | 33 | 0 | 0 | 0 | 113 | V571 C572 L577 C578 L607 L608 M611 V709 | V571-P575 WeakPolarHBondContact O-CD 3.19Å; C572-P575 WeakPolarHBondContact O-CD 3.12Å; P575-L577 PolarHBondContact O-N 3.15Å; P575-C578 VanDerWaalsContact O-CB 3.26Å; P575-C578 WeakPolarHBondContact O-CB 3.33Å; P575-C578 PolarHBondContact O-N 3.29Å; P575-L607 HydrophobicContact CG-CB 4.01Å; P575-L608 HydrophobicContact CB-CD2 3.84Å; P575-L608 HydrophobicContact CB-CG 4.08Å; P575-L608 HydrophobicContact CG-CD2 3.64Å; P575-L608 HydrophobicContact CG-CG 4.05Å; P575-M611 HydrophobicContact CG-SD 3.77Å; P575-V709 HydrophobicContact CB-CG1 4.43Å; P575-V709 HydrophobicContact CB-CG2 4.46Å |
| 576 | M | 97.5 | Very high | 96.3 | Very high | 37 Ų | 37 | 18.4 Ų | 18.4 | 18% | 0.182 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 178.5 | -73.2 | -59.9 | -69.8 | 0 | 0 | 113.2 | V573 F574 C578 S579 Y706 V709 | V573-M576 WeakPolarHBondContact O-CB 3.46Å; V573-M576 PolarHBondContact O-N 2.72Å; F574-M576 VanDerWaalsContact C-N 3.28Å; F574-M576 PolarHBondContact O-N 3.38Å; M576-C578 PolarHBondContact O-N 3.09Å; M576-S579 VanDerWaalsContact O-CB 3.3Å; M576-S579 WeakPolarHBondContact O-CB 3.37Å; M576-S579 PolarHBondContact O-N 2.72Å; M576-S579 PolarHBondContact O-OG 3.48Å; M576-Y706 HydrophobicContact CB-CE2 4.29Å; M576-Y706 HydrophobicContact CE-CD1 4.07Å; M576-Y706 HydrophobicContact CE-CE1 3.97Å; M576-Y706 HydrophobicContact CG-CD1 4.01Å; M576-Y706 HydrophobicContact CG-CD2 3.39Å; M576-Y706 HydrophobicContact CG-CE1 3.83Å; M576-Y706 HydrophobicContact CG-CE2 3.22Å; M576-Y706 HydrophobicContact CG-CG 3.8Å; M576-Y706 VanDerWaalsContact CG-CZ 3.44Å; M576-Y706 HydrophobicContact SD-CD1 3.87Å; M576-Y706 HydrophobicContact SD-CD2 4.02Å; M576-Y706 HydrophobicContact SD-CE1 4.13Å; M576-Y706 HydrophobicContact SD-CE2 4.31Å; M576-Y706 HydrophobicContact SD-CG 3.81Å; M576-V709 HydrophobicContact CG-CG2 4.5Å; M576-V709 HydrophobicContact SD-CB 4.01Å; M576-V709 HydrophobicContact SD-CG1 3.66Å; M576-V709 HydrophobicContact SD-CG2 3.7Å |
| 577 | L | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62.1 | -22.9 | 177.6 | -75.6 | 171.9 | 0 | 0 | 0 | 113.2 | L413 V417 L544 Y547 F554 V573 F574 P575 S579 H580 F581 | L413-L577 HydrophobicContact CD1-CD1 4.21Å; V417-L577 HydrophobicContact CG2-CD2 3.76Å; V417-L577 HydrophobicContact CG2-CG 4.41Å; L544-L577 HydrophobicContact CB-CD2 3.74Å; L544-L577 HydrophobicContact CD1-CD2 3.46Å; L544-L577 VanDerWaalsContact CD1-CD2 3.46Å; L544-L577 HydrophobicContact CG-CD2 4.26Å; Y547-L577 HydrophobicContact CD2-CD1 4.4Å; Y547-L577 HydrophobicContact CE2-CD1 4.4Å; F554-L577 HydrophobicContact CE2-CB 4.05Å; F554-L577 HydrophobicContact CE2-CD1 3.92Å; F554-L577 HydrophobicContact CZ-CB 4.11Å; V573-L577 HydrophobicContact CG2-CD1 4.36Å; V573-L577 HydrophobicContact CG2-CG 4.29Å; V573-L577 VanDerWaalsContact O-CG 3.3Å; V573-L577 WeakPolarHBondContact O-CG 3.39Å; V573-L577 PolarHBondContact O-N 3.09Å; F574-L577 PolarHBondContact O-N 2.91Å; P575-L577 PolarHBondContact O-N 3.15Å; L577-S579 PolarHBondContact O-N 3.09Å; L577-H580 WeakPolarHBondContact O-CB 3.4Å; L577-H580 PolarHBondContact O-N 3.41Å; L577-F581 WeakPolarHBondContact O-CD1 3.18Å; L577-F581 WeakPolarHBondContact O-CE1 3.48Å |
| 578 | C | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -61.5 | -28 | 173.4 | -60 | 0 | 0 | 0 | 0 | 111.9 | P575 M576 H580 F581 C604 V711 | P575-C578 VanDerWaalsContact O-CB 3.26Å; P575-C578 WeakPolarHBondContact O-CB 3.33Å; P575-C578 PolarHBondContact O-N 3.29Å; M576-C578 PolarHBondContact O-N 3.09Å; C578-H580 VanDerWaalsContact C-N 3.25Å; C578-H580 PolarHBondContact O-N 3.42Å; C578-F581 PolarHBondContact O-N 2.99Å; C578-C604 HydrophobicContact CB-CB 4.03Å; C578-V711 HydrophobicContact CB-CG1 4.22Å; C578-V711 HydrophobicContact CB-CG2 4.22Å |
| 579 | S | 95.6 | Very high | 96.5 | Very high | 39 Ų | 39 | 25.4 Ų | 25.4 | 27% | 0.273 | 13% | 0.134 | S | C | . | . | G | 310 helix | trans | -67 | -25 | 174.6 | 73.3 | 0 | 0 | 0 | 0 | 113.1 | M576 L577 F581 V710 | M576-S579 VanDerWaalsContact O-CB 3.3Å; M576-S579 WeakPolarHBondContact O-CB 3.37Å; M576-S579 PolarHBondContact O-N 2.72Å; M576-S579 PolarHBondContact O-OG 3.48Å; L577-S579 PolarHBondContact O-N 3.09Å; S579-F581 VanDerWaalsContact C-N 3.29Å; S579-F581 PolarHBondContact O-N 2.94Å; S579-V710 VanDerWaalsContact CB-O 3.23Å; S579-V710 WeakPolarHBondContact CB-O 3.2Å |
| 580 | H | 96.4 | Very high | 96.3 | Very high | 8 Ų | 8 | 26.1 Ų | 26.1 | 4% | 0.037 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -74.5 | -20.2 | 178.7 | -69.6 | -163.2 | 0 | 0 | 0 | 112.1 | S545 L577 C578 A582 C583 | S545-H580 VanDerWaalsContact CB-O 3.23Å; S545-H580 WeakPolarHBondContact CB-O 3.26Å; L577-H580 WeakPolarHBondContact O-CB 3.4Å; L577-H580 PolarHBondContact O-N 3.41Å; C578-H580 VanDerWaalsContact C-N 3.25Å; C578-H580 PolarHBondContact O-N 3.42Å; H580-A582 PolarHBondContact O-N 3.49Å; H580-A582 VanDerWaalsContact O-N 3.14Å; H580-C583 WeakPolarHBondContact O-CB 3.3Å; H580-C583 PolarHBondContact O-N 3.23Å; H580-C583 PolarHBondContact O-SG 2.95Å |
| 581 | F | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -63.7 | -25.8 | -169.6 | -70.1 | 4.2 | 0 | 0 | 0 | 113 | C548 F554 L577 C578 S579 C583 C584 I596 S600 L603 | C548-F581 HydrophobicContact CB-CB 4.32Å; C548-F581 HydrophobicContact CB-CD1 3.92Å; C548-F581 HydrophobicContact CB-CD2 3.77Å; C548-F581 HydrophobicContact CB-CE1 4.13Å; C548-F581 HydrophobicContact CB-CE2 3.99Å; C548-F581 HydrophobicContact CB-CG 3.74Å; C548-F581 HydrophobicContact CB-CZ 4.17Å; F554-F581 HydrophobicContact CE1-CZ 4.47Å; F554-F581 HydrophobicContact CZ-CZ 4.35Å; L577-F581 WeakPolarHBondContact O-CD1 3.18Å; L577-F581 WeakPolarHBondContact O-CE1 3.48Å; C578-F581 PolarHBondContact O-N 2.99Å; S579-F581 VanDerWaalsContact C-N 3.29Å; S579-F581 PolarHBondContact O-N 2.94Å; F581-C583 PolarHBondContact O-N 2.98Å; F581-C584 PolarHBondContact O-N 2.98Å; F581-C584 PolarHBondContact O-SG 3.47Å; F581-I596 HydrophobicContact CB-CG2 4.16Å; F581-S600 VanDerWaalsContact CB-OG 3.3Å; F581-S600 WeakPolarHBondContact CB-OG 3.26Å; F581-S600 WeakPolarHBondContact CD2-OG 3.42Å; F581-L603 HydrophobicContact CE2-CD2 3.81Å; F581-L603 HydrophobicContact CZ-CD2 4.16Å |
| 582 | A | 95.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 30 Ų | 30 | 30% | 0.298 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -61.5 | -24 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | H580 C584 L585 W712 | H580-A582 PolarHBondContact O-N 3.49Å; H580-A582 VanDerWaalsContact O-N 3.14Å; A582-C584 PolarHBondContact O-N 3.03Å; A582-L585 HydrophobicContact CB-CD1 4.36Å; A582-L585 WeakPolarHBondContact O-CB 3.46Å; A582-L585 WeakPolarHBondContact O-CD1 3.14Å; A582-L585 VanDerWaalsContact O-CG 3.3Å; A582-L585 WeakPolarHBondContact O-CG 3.3Å; A582-L585 PolarHBondContact O-N 2.67Å; A582-W712 HydrophobicContact CB-CD2 4.4Å; A582-W712 HydrophobicContact CB-CH2 4.21Å; A582-W712 HydrophobicContact CB-CZ2 3.93Å; A582-W712 HydrophobicContact CB-CZ3 4.45Å |
| 583 | C | 94.5 | Very high | 95.4 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -71.8 | -7.3 | 179.7 | -58.3 | 0 | 0 | 0 | 0 | 114.2 | N543 H580 F581 | N543-C583 WeakPolarHBondContact ND2-CB 3.36Å; H580-C583 WeakPolarHBondContact O-CB 3.3Å; H580-C583 PolarHBondContact O-N 3.23Å; H580-C583 PolarHBondContact O-SG 2.95Å; F581-C583 PolarHBondContact O-N 2.98Å |
| 584 | C | 94.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 41.2 Ų | 41.2 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -92.8 | -3.4 | 176 | 73.1 | 0 | 0 | 0 | 0 | 114.1 | R295 F549 F581 A582 | R295-C584 PolarHBondContact NH2-O 2.99Å; F549-C584 HydrophobicContact CE2-CB 3.85Å; F549-C584 HydrophobicContact CZ-CB 4.25Å; F581-C584 PolarHBondContact O-N 2.98Å; F581-C584 PolarHBondContact O-SG 3.47Å; A582-C584 PolarHBondContact O-N 3.03Å |
| 585 | L | 95.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 47.2 Ų | 47.2 | 23% | 0.225 | 25% | 0.245 | C | C | . | . | trans | -72.9 | 152.8 | -179.7 | -61.6 | 168 | 0 | 0 | 0 | 111.9 | A582 E592 R593 I596 W712 | A582-L585 HydrophobicContact CB-CD1 4.36Å; A582-L585 WeakPolarHBondContact O-CB 3.46Å; A582-L585 WeakPolarHBondContact O-CD1 3.14Å; A582-L585 VanDerWaalsContact O-CG 3.3Å; A582-L585 WeakPolarHBondContact O-CG 3.3Å; A582-L585 PolarHBondContact O-N 2.67Å; L585-E592 HydrophobicContact CD2-CG 4.21Å; L585-R593 HydrophobicContact CD1-CG 4.35Å; L585-R593 HydrophobicContact CD2-CB 4.26Å; L585-I596 HydrophobicContact CD2-CB 4.24Å; L585-I596 HydrophobicContact CD2-CD1 3.5Å; L585-I596 VanDerWaalsContact CD2-CD1 3.5Å; L585-I596 HydrophobicContact CD2-CG1 4.44Å; L585-I596 HydrophobicContact CD2-CG2 4.48Å; L585-W712 HydrophobicContact CD1-CH2 3.36Å; L585-W712 HydrophobicContact CD1-CZ2 4.2Å; L585-W712 HydrophobicContact CD1-CZ3 3.95Å; L585-W712 HydrophobicContact CG-CH2 4.42Å | ||
| 586 | H | 95.4 | Very high | 94.8 | Very high | 17 Ų | 17 | 47.6 Ų | 47.6 | 8% | 0.079 | 25% | 0.247 | C | C | . | . | trans | -128.5 | 138.8 | 171.8 | -164 | -76.6 | 0 | 0 | 0 | 111.4 | E21 W24 G25 T28 M588 C589 | E21-H586 PolarHBondContact O-NE2 3.44Å; W24-H586 AromaticContact CD2-CD2 3.75Å; W24-H586 AromaticContact CE3-CD2 3.28Å; W24-H586 AromaticContact CE3-NE2 3.74Å; W24-H586 AromaticContact CZ3-CD2 3.79Å; G25-H586 WeakPolarHBondContact CA-CE1 3.5Å; G25-H586 WeakPolarHBondContact CA-ND1 3.22Å; G25-H586 PolarHBondContact N-NE2 3.38Å; T28-H586 HydrophobicContact CG2-CB 4.07Å; H586-M588 VanDerWaalsContact C-N 3.28Å; H586-M588 WeakPolarHBondContact ND1-CB 3.23Å; H586-M588 PolarHBondContact ND1-N 2.98Å; H586-M588 PolarHBondContact O-N 3.26Å; H586-C589 CarbonylContact O-C 3.39Å; H586-C589 PolarHBondContact O-N 3.3Å | ||
| 587 | E | 94 | Very high | 94.8 | Very high | 174 Ų | 174 | 47 Ų | 47 | 81% | 0.813 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61 | -34.9 | -177.3 | -63.4 | -170.8 | 168.6 | 0 | 0 | 113.5 | C589 | E587-C589 PolarHBondContact O-N 3.02Š|
| 588 | M | 94.6 | Very high | 94.7 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 19% | 0.192 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -3 | 174.2 | -65.4 | -176.7 | 60.5 | 0 | 0 | 115.2 | R22 I26 R29 H586 | R22-M588 VanDerWaalsContact CD-SD 3.53Å; R22-M588 PolarHBondContact NH1-SD 2.97Å; I26-M588 HydrophobicContact CD1-CE 3.82Å; I26-M588 HydrophobicContact CG1-CE 4.21Å; R29-M588 WeakPolarHBondContact CD-O 3.46Å; H586-M588 VanDerWaalsContact C-N 3.28Å; H586-M588 WeakPolarHBondContact ND1-CB 3.23Å; H586-M588 PolarHBondContact ND1-N 2.98Å; H586-M588 PolarHBondContact O-N 3.26Å |
| 589 | C | 94.7 | Very high | 94.6 | Very high | 4 Ų | 4 | 56 Ų | 56 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | trans | -135.8 | 69.8 | 175.8 | -155.9 | 0 | 0 | 0 | 0 | 110.9 | T28 R29 N32 H586 E587 E591 E592 | T28-C589 HydrophobicContact CG2-CB 3.77Å; R29-C589 HydrophobicContact CG-CB 4.02Å; N32-C589 PolarHBondContact ND2-SG 3.19Å; H586-C589 CarbonylContact O-C 3.39Å; H586-C589 PolarHBondContact O-N 3.3Å; E587-C589 PolarHBondContact O-N 3.02Å; C589-E591 VanDerWaalsContact C-OE2 3.24Å; C589-E591 VanDerWaalsContact CA-OE2 3.29Å; C589-E591 WeakPolarHBondContact CA-OE2 3.43Å; C589-E591 PolarHBondContact O-N 3.11Å; C589-E591 PolarHBondContact SG-OE2 2.94Å; C589-E592 VanDerWaalsContact O-CG 3.31Å; C589-E592 WeakPolarHBondContact O-CG 3.36Å | ||
| 590 | P | 93.3 | Very high | 94.7 | Very high | 82 Ų | 82 | 54.1 Ų | 54.1 | 53% | 0.532 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.8 | 179.6 | 28.2 | -35.6 | 0 | 0 | 0 | 113.4 | E592 R593 | P590-E592 VanDerWaalsContact C-N 3.3Å; P590-E592 PolarHBondContact O-N 3.18Å; P590-R593 VanDerWaalsContact O-CB 3.26Å; P590-R593 WeakPolarHBondContact O-CB 3.37Å; P590-R593 PolarHBondContact O-N 3.43Å; P590-R593 VanDerWaalsContact O-N 3.16Å |
| 591 | E | 88.1 | Confident | 94.8 | Very high | 85 Ų | 85 | 55.2 Ų | 55.2 | 40% | 0.397 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -31.2 | -175.1 | -55.9 | 83.9 | 175.6 | 0 | 0 | 113 | L91 C589 R593 | L91-E591 HydrophobicContact CD2-CG 4.3Å; C589-E591 VanDerWaalsContact C-OE2 3.24Å; C589-E591 VanDerWaalsContact CA-OE2 3.29Å; C589-E591 WeakPolarHBondContact CA-OE2 3.43Å; C589-E591 PolarHBondContact O-N 3.11Å; C589-E591 PolarHBondContact SG-OE2 2.94Å; E591-R593 VanDerWaalsContact C-N 3.33Å |
| 592 | E | 92.6 | Very high | 94.8 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.037 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -79.5 | -14.5 | 178.4 | 59.4 | 175.7 | -161.7 | 0 | 0 | 113.8 | T28 N32 R295 L585 C589 P590 V594 H595 I596 | T28-E592 WeakPolarHBondContact CG2-OE1 3.34Å; N32-E592 PolarHBondContact ND2-OE2 2.77Å; N32-E592 PolarHBondContact OD1-OE2 2.63Å; R295-E592 IonicContact CZ-OE1 3.94Å; R295-E592 IonicContact CZ-OE2 2.89Å; R295-E592 IonicContact NH1-OE1 3.04Å; R295-E592 IonicContact NH1-OE2 2.73Å; R295-E592 PolarHBondContact NH1-OE2 3.25Å; R295-E592 VanDerWaalsContact NH2-CD 3.29Å; R295-E592 IonicContact NH2-OE1 3.79Å; R295-E592 PolarHBondContact NH2-OE1 3.05Å; R295-E592 IonicContact NH2-OE2 3.08Å; R295-E592 PolarHBondContact NH2-OE2 2.88Å; L585-E592 HydrophobicContact CD2-CG 4.21Å; C589-E592 VanDerWaalsContact O-CG 3.31Å; C589-E592 WeakPolarHBondContact O-CG 3.36Å; P590-E592 VanDerWaalsContact C-N 3.3Å; P590-E592 PolarHBondContact O-N 3.18Å; E592-V594 VanDerWaalsContact C-N 3.32Å; E592-V594 PolarHBondContact O-N 3.27Å; E592-H595 PolarHBondContact O-N 3.14Å; E592-I596 HydrophobicContact CB-CD1 4Å; E592-I596 HydrophobicContact CG-CD1 3.95Å; E592-I596 WeakPolarHBondContact O-CG1 3.49Å; E592-I596 PolarHBondContact O-N 3.09Å |
| 593 | R | 94.4 | Very high | 94.9 | Very high | 153 Ų | 153 | 57.5 Ų | 57.5 | 58% | 0.577 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -57.6 | -45.1 | -174.2 | -178.1 | 175.8 | 178 | 160.1 | 1.2 | 112.1 | L585 P590 E591 S597 W712 | L585-R593 HydrophobicContact CD1-CG 4.35Å; L585-R593 HydrophobicContact CD2-CB 4.26Å; P590-R593 VanDerWaalsContact O-CB 3.26Å; P590-R593 WeakPolarHBondContact O-CB 3.37Å; P590-R593 PolarHBondContact O-N 3.43Å; P590-R593 VanDerWaalsContact O-N 3.16Å; E591-R593 VanDerWaalsContact C-N 3.33Å; R593-S597 VanDerWaalsContact O-CB 3.26Å; R593-S597 WeakPolarHBondContact O-CB 3.38Å; R593-S597 PolarHBondContact O-N 3.37Å; R593-W712 HydrophobicContact CG-CH2 3.97Å; R593-W712 HydrophobicContact CG-CZ3 4.06Å |
| 594 | V | 93.2 | Very high | 95.1 | Very high | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.515 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.8 | -49.2 | -179.9 | 178.2 | 0 | 0 | 0 | 0 | 110 | E592 I596 S597 E598 | E592-V594 VanDerWaalsContact C-N 3.32Å; E592-V594 PolarHBondContact O-N 3.27Å; V594-I596 PolarHBondContact O-N 3.4Å; V594-S597 PolarHBondContact O-N 2.75Å; V594-E598 HydrophobicContact CG1-CG 4.35Å; V594-E598 WeakPolarHBondContact O-CG 3.3Å; V594-E598 PolarHBondContact O-N 2.7Å |
| 595 | H | 92.6 | Very high | 95.2 | Very high | 126 Ų | 126 | 57.6 Ų | 57.6 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63 | -42.5 | -178.5 | -60.9 | -45.8 | 0 | 0 | 0 | 112.9 | E592 K599 | E592-H595 PolarHBondContact O-N 3.14Å; H595-K599 WeakPolarHBondContact O-CB 3.47Å; H595-K599 PolarHBondContact O-N 3.1Å |
| 596 | I | 96.4 | Very high | 95.4 | Very high | 10 Ų | 10 | 58.9 Ų | 58.9 | 5% | 0.051 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69 | -39.4 | 178.2 | -66.6 | 163.9 | 0 | 0 | 0 | 110.3 | F581 L585 E592 V594 K599 S600 W712 | F581-I596 HydrophobicContact CB-CG2 4.16Å; L585-I596 HydrophobicContact CD2-CB 4.24Å; L585-I596 HydrophobicContact CD2-CD1 3.5Å; L585-I596 VanDerWaalsContact CD2-CD1 3.5Å; L585-I596 HydrophobicContact CD2-CG1 4.44Å; L585-I596 HydrophobicContact CD2-CG2 4.48Å; E592-I596 HydrophobicContact CB-CD1 4Å; E592-I596 HydrophobicContact CG-CD1 3.95Å; E592-I596 WeakPolarHBondContact O-CG1 3.49Å; E592-I596 PolarHBondContact O-N 3.09Å; V594-I596 PolarHBondContact O-N 3.4Å; I596-K599 PolarHBondContact O-N 3.38Å; I596-S600 WeakPolarHBondContact O-CB 3.5Å; I596-S600 PolarHBondContact O-N 3.42Å; I596-S600 PolarHBondContact O-OG 2.84Å; I596-W712 HydrophobicContact CG2-CZ2 4.17Å |
| 597 | S | 96.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 58.1 Ų | 58.1 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -53.8 | 176.4 | -171.4 | 0 | 0 | 0 | 0 | 112 | R593 V594 K599 S600 L601 | R593-S597 VanDerWaalsContact O-CB 3.26Å; R593-S597 WeakPolarHBondContact O-CB 3.38Å; R593-S597 PolarHBondContact O-N 3.37Å; V594-S597 PolarHBondContact O-N 2.75Å; S597-K599 VanDerWaalsContact C-N 3.26Å; S597-K599 PolarHBondContact O-N 2.71Å; S597-S600 WeakPolarHBondContact O-CB 3.45Å; S597-S600 PolarHBondContact O-N 3.07Å; S597-S600 VanDerWaalsContact O-N 3.09Å; S597-L601 WeakPolarHBondContact O-CG 3.46Å; S597-L601 PolarHBondContact O-N 2.95Å |
| 598 | E | 96.3 | Very high | 95.7 | Very high | 115 Ų | 115 | 50.1 Ų | 50.1 | 54% | 0.537 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -56.3 | -42.5 | 177.7 | -72.4 | 175.5 | 165.4 | 0 | 0 | 111.5 | V594 L601 S602 | V594-E598 HydrophobicContact CG1-CG 4.35Å; V594-E598 WeakPolarHBondContact O-CG 3.3Å; V594-E598 PolarHBondContact O-N 2.7Å; E598-L601 PolarHBondContact O-N 3.28Å; E598-S602 VanDerWaalsContact O-CB 3.29Å; E598-S602 WeakPolarHBondContact O-CB 3.32Å; E598-S602 PolarHBondContact O-N 2.93Å; E598-S602 PolarHBondContact O-OG 3.18Å |
| 599 | K | 95.5 | Very high | 95.9 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 32% | 0.322 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.7 | -43.5 | 176.5 | -174.6 | 172.4 | -172.5 | 173.5 | 0 | 112.4 | C548 S551 H595 I596 S597 S602 L603 | C548-K599 WeakPolarHBondContact O-CE 3.34Å; C548-K599 PolarHBondContact O-NZ 3.18Å; S551-K599 WeakPolarHBondContact OG-CE 3.48Å; S551-K599 PolarHBondContact OG-NZ 3.31Å; H595-K599 WeakPolarHBondContact O-CB 3.47Å; H595-K599 PolarHBondContact O-N 3.1Å; I596-K599 PolarHBondContact O-N 3.38Å; S597-K599 VanDerWaalsContact C-N 3.26Å; S597-K599 PolarHBondContact O-N 2.71Å; K599-S602 WeakPolarHBondContact CA-OG 3.37Å; K599-S602 PolarHBondContact O-OG 2.85Å; K599-S602 VanDerWaalsContact O-OG 3.09Å; K599-L603 WeakPolarHBondContact O-CB 3.38Å; K599-L603 PolarHBondContact O-N 3.44Å |
| 600 | S | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 178.5 | -53.2 | 0 | 0 | 0 | 0 | 111.4 | F581 I596 S597 C604 W712 | F581-S600 VanDerWaalsContact CB-OG 3.3Å; F581-S600 WeakPolarHBondContact CB-OG 3.26Å; F581-S600 WeakPolarHBondContact CD2-OG 3.42Å; I596-S600 WeakPolarHBondContact O-CB 3.5Å; I596-S600 PolarHBondContact O-N 3.42Å; I596-S600 PolarHBondContact O-OG 2.84Å; S597-S600 WeakPolarHBondContact O-CB 3.45Å; S597-S600 PolarHBondContact O-N 3.07Å; S597-S600 VanDerWaalsContact O-N 3.09Å; S600-C604 VanDerWaalsContact O-CB 3.32Å; S600-C604 WeakPolarHBondContact O-CB 3.48Å; S600-C604 PolarHBondContact O-N 3.09Å; S600-W712 PolarHBondContact OG-NE1 3.39Å |
| 601 | L | 98 | Very high | 96.3 | Very high | 30 Ų | 30 | 49.8 Ų | 49.8 | 16% | 0.157 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -69.3 | -46.1 | -178 | -65.2 | 173 | 0 | 0 | 0 | 112.5 | S597 E598 L603 C604 T605 V711 H714 F716 | S597-L601 WeakPolarHBondContact O-CG 3.46Å; S597-L601 PolarHBondContact O-N 2.95Å; E598-L601 PolarHBondContact O-N 3.28Å; L601-L603 VanDerWaalsContact C-N 3.35Å; L601-L603 PolarHBondContact O-N 2.95Å; L601-C604 PolarHBondContact O-N 2.9Å; L601-T605 WeakPolarHBondContact O-CB 3.33Å; L601-T605 PolarHBondContact O-N 3.27Å; L601-T605 PolarHBondContact O-OG1 3.12Å; L601-V711 HydrophobicContact CD2-CB 4.31Å; L601-V711 HydrophobicContact CD2-CG1 4.12Å; L601-H714 HydrophobicContact CD2-CB 3.66Å; L601-F716 HydrophobicContact CD2-CE2 3.91Å; L601-F716 HydrophobicContact CD2-CZ 3.91Å |
| 602 | S | 97.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 45.8 Ų | 45.8 | 50% | 0.503 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -40.6 | 178.4 | 54.5 | 0 | 0 | 0 | 0 | 112 | E598 K599 L606 | E598-S602 VanDerWaalsContact O-CB 3.29Å; E598-S602 WeakPolarHBondContact O-CB 3.32Å; E598-S602 PolarHBondContact O-N 2.93Å; E598-S602 PolarHBondContact O-OG 3.18Å; K599-S602 WeakPolarHBondContact CA-OG 3.37Å; K599-S602 PolarHBondContact O-OG 2.85Å; K599-S602 VanDerWaalsContact O-OG 3.09Å; S602-L606 WeakPolarHBondContact O-CB 3.48Å; S602-L606 PolarHBondContact O-N 2.84Å |
| 603 | L | 97.3 | Very high | 97 | Very high | 13 Ų | 13 | 48 Ų | 48 | 7% | 0.068 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -44.6 | 176.9 | -169 | 60.3 | 0 | 0 | 0 | 111.6 | F554 E555 F581 K599 L601 T605 L606 L607 | F554-L603 HydrophobicContact CD1-CD1 4.29Å; F554-L603 HydrophobicContact CD1-CD2 3.52Å; F554-L603 HydrophobicContact CD1-CG 4.16Å; F554-L603 HydrophobicContact CE1-CD1 4.39Å; F554-L603 HydrophobicContact CE1-CD2 3.37Å; F554-L603 HydrophobicContact CE1-CG 3.86Å; F554-L603 HydrophobicContact CZ-CD2 4.47Å; E555-L603 HydrophobicContact CG-CD1 4.42Å; F581-L603 HydrophobicContact CE2-CD2 3.81Å; F581-L603 HydrophobicContact CZ-CD2 4.16Å; K599-L603 WeakPolarHBondContact O-CB 3.38Å; K599-L603 PolarHBondContact O-N 3.44Å; L601-L603 VanDerWaalsContact C-N 3.35Å; L601-L603 PolarHBondContact O-N 2.95Å; L603-T605 VanDerWaalsContact C-N 3.31Å; L603-T605 PolarHBondContact O-N 3.08Å; L603-L606 HydrophobicContact CD1-CD2 4.39Å; L603-L606 PolarHBondContact O-N 3.39Å; L603-L607 HydrophobicContact CD1-CG 4.41Å; L603-L607 HydrophobicContact CG-CD1 4.13Å; L603-L607 HydrophobicContact CG-CG 4.43Å; L603-L607 WeakPolarHBondContact O-CG 3.47Å; L603-L607 PolarHBondContact O-N 3.24Å |
| 604 | C | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57 | -46.5 | 176.3 | -168.1 | 0 | 0 | 0 | 0 | 111.4 | C578 S600 L601 L607 L608 V711 F716 | C578-C604 HydrophobicContact CB-CB 4.03Å; S600-C604 VanDerWaalsContact O-CB 3.32Å; S600-C604 WeakPolarHBondContact O-CB 3.48Å; S600-C604 PolarHBondContact O-N 3.09Å; L601-C604 PolarHBondContact O-N 2.9Å; C604-L607 PolarHBondContact O-N 3.46Å; C604-L608 WeakPolarHBondContact O-CG 3.44Å; C604-L608 PolarHBondContact O-N 3.01Å; C604-L608 VanDerWaalsContact O-N 3.08Å; C604-V711 HydrophobicContact CB-CG2 4.34Å; C604-F716 HydrophobicContact CB-CE2 4.34Å; C604-F716 HydrophobicContact CB-CZ 4.28Å |
| 605 | T | 98.2 | Very high | 97.3 | Very high | 56 Ų | 56 | 40.2 Ų | 40.2 | 34% | 0.344 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -58.8 | -49.4 | 176 | -55.1 | 0 | 0 | 0 | 0 | 111.7 | L601 L603 L607 L608 D609 F716 Y721 | L601-T605 WeakPolarHBondContact O-CB 3.33Å; L601-T605 PolarHBondContact O-N 3.27Å; L601-T605 PolarHBondContact O-OG1 3.12Å; L603-T605 VanDerWaalsContact C-N 3.31Å; L603-T605 PolarHBondContact O-N 3.08Å; T605-L607 VanDerWaalsContact C-N 3.33Å; T605-L607 PolarHBondContact O-N 3.14Å; T605-L608 PolarHBondContact O-N 3.43Å; T605-D609 VanDerWaalsContact O-CB 3.26Å; T605-D609 WeakPolarHBondContact O-CB 3Å; T605-D609 PolarHBondContact O-N 3.5Å; T605-F716 WeakPolarHBondContact OG1-CE1 3.47Å; T605-Y721 HydrophobicContact CG2-CE1 4.33Å |
| 606 | L | 97.9 | Very high | 97.5 | Very high | 69 Ų | 69 | 36.8 Ų | 36.8 | 36% | 0.361 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -57.8 | -45.8 | 179.5 | 174.8 | 65.9 | 0 | 0 | 0 | 111.6 | S602 L603 D609 E610 | S602-L606 WeakPolarHBondContact O-CB 3.48Å; S602-L606 PolarHBondContact O-N 2.84Å; L603-L606 HydrophobicContact CD1-CD2 4.39Å; L603-L606 PolarHBondContact O-N 3.39Å; L606-D609 PolarHBondContact O-N 2.91Å; L606-E610 HydrophobicContact CD1-CG 4.25Å; L606-E610 WeakPolarHBondContact O-CG 3.43Å; L606-E610 PolarHBondContact O-N 3.29Å |
| 607 | L | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.4 | -44 | -176.9 | -63.6 | 171.5 | 0 | 0 | 0 | 111.9 | F554 F558 F574 P575 L603 C604 T605 D609 E610 M611 | F554-L607 HydrophobicContact CE1-CD1 3.71Å; F554-L607 HydrophobicContact CZ-CD1 4.24Å; F558-L607 HydrophobicContact CB-CD2 3.96Å; F558-L607 HydrophobicContact CD1-CD2 3.52Å; F558-L607 HydrophobicContact CD2-CB 4.5Å; F558-L607 HydrophobicContact CD2-CD2 3.46Å; F558-L607 VanDerWaalsContact CD2-CD2 3.46Å; F558-L607 HydrophobicContact CD2-CG 4.44Å; F558-L607 HydrophobicContact CE1-CD2 3.76Å; F558-L607 HydrophobicContact CE2-CB 3.97Å; F558-L607 HydrophobicContact CE2-CD2 3.66Å; F558-L607 HydrophobicContact CE2-CG 4.36Å; F558-L607 HydrophobicContact CG-CD2 3.36Å; F558-L607 HydrophobicContact CZ-CB 4.16Å; F558-L607 HydrophobicContact CZ-CD2 3.82Å; F558-L607 WeakPolarHBondContact CZ-O 3.21Å; F574-L607 HydrophobicContact CB-CD1 3.86Å; P575-L607 HydrophobicContact CG-CB 4.01Å; L603-L607 HydrophobicContact CD1-CG 4.41Å; L603-L607 HydrophobicContact CG-CD1 4.13Å; L603-L607 HydrophobicContact CG-CG 4.43Å; L603-L607 WeakPolarHBondContact O-CG 3.47Å; L603-L607 PolarHBondContact O-N 3.24Å; C604-L607 PolarHBondContact O-N 3.46Å; T605-L607 VanDerWaalsContact C-N 3.33Å; T605-L607 PolarHBondContact O-N 3.14Å; L607-D609 VanDerWaalsContact C-N 3.34Å; L607-E610 PolarHBondContact O-N 2.92Å; L607-M611 VanDerWaalsContact O-CG 3.28Å; L607-M611 WeakPolarHBondContact O-CG 3.36Å; L607-M611 PolarHBondContact O-N 3.3Å |
| 608 | L | 98.4 | Very high | 97.5 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.7 | -39.9 | 177.1 | -68.9 | 174.8 | 0 | 0 | 0 | 111.8 | P575 C604 T605 M611 A612 F716 P718 Y721 | P575-L608 HydrophobicContact CB-CD2 3.84Å; P575-L608 HydrophobicContact CB-CG 4.08Å; P575-L608 HydrophobicContact CG-CD2 3.64Å; P575-L608 HydrophobicContact CG-CG 4.05Å; C604-L608 WeakPolarHBondContact O-CG 3.44Å; C604-L608 PolarHBondContact O-N 3.01Å; C604-L608 VanDerWaalsContact O-N 3.08Å; T605-L608 PolarHBondContact O-N 3.43Å; L608-M611 HydrophobicContact CD2-SD 4.33Å; L608-M611 PolarHBondContact O-N 3.21Å; L608-A612 WeakPolarHBondContact O-CB 3.46Å; L608-A612 PolarHBondContact O-N 3.43Å; L608-F716 HydrophobicContact CD1-CB 3.6Å; L608-F716 HydrophobicContact CD1-CD1 4.03Å; L608-F716 HydrophobicContact CD1-CG 4.05Å; L608-P718 HydrophobicContact CD2-CB 3.91Å; L608-P718 HydrophobicContact CD2-CG 3.8Å; L608-Y721 HydrophobicContact CB-CD1 4.26Å; L608-Y721 HydrophobicContact CB-CD2 4.14Å; L608-Y721 HydrophobicContact CB-CE1 4.27Å; L608-Y721 HydrophobicContact CB-CE2 4.16Å; L608-Y721 HydrophobicContact CB-CG 4.2Å; L608-Y721 HydrophobicContact CD1-CD2 4.41Å; L608-Y721 HydrophobicContact CD1-CE2 3.94Å |
| 609 | D | 98.3 | Very high | 97.5 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 23% | 0.225 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.2 | -175.5 | 53.9 | 0 | 0 | 0 | 111.8 | T605 L606 L607 A612 K613 Y721 H725 | T605-D609 VanDerWaalsContact O-CB 3.26Å; T605-D609 WeakPolarHBondContact O-CB 3Å; T605-D609 PolarHBondContact O-N 3.5Å; L606-D609 PolarHBondContact O-N 2.91Å; L607-D609 VanDerWaalsContact C-N 3.34Å; D609-A612 PolarHBondContact O-N 3.16Å; D609-K613 WeakPolarHBondContact O-CB 3.41Å; D609-K613 VanDerWaalsContact O-CG 3.29Å; D609-K613 WeakPolarHBondContact O-CG 3.32Å; D609-K613 PolarHBondContact O-N 3.1Å; D609-K613 WeakPolarHBondContact OD2-CE 3.45Å; D609-K613 IonicContact OD2-NZ 3.18Å; D609-K613 PolarHBondContact OD2-NZ 3.38Å; D609-Y721 HydrophobicContact CB-CD1 4.32Å; D609-H725 IonicContact OD1-CD2 3.22Å; D609-H725 IonicContact OD1-CE1 2.89Å; D609-H725 IonicContact OD1-NE2 3.22Å; D609-H725 PolarHBondContact OD1-NE2 3.08Å |
| 610 | E | 98 | Very high | 97.5 | Very high | 72 Ų | 72 | 29.7 Ų | 29.7 | 34% | 0.336 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -67.7 | -38.6 | 176.6 | -70.5 | -62.9 | 123.9 | 0 | 0 | 112.8 | F558 L606 L607 A612 K613 E614 | F558-E610 HydrophobicContact CE1-CB 3.8Å; F558-E610 HydrophobicContact CE1-CG 4.48Å; F558-E610 HydrophobicContact CZ-CB 3.87Å; L606-E610 HydrophobicContact CD1-CG 4.25Å; L606-E610 WeakPolarHBondContact O-CG 3.43Å; L606-E610 PolarHBondContact O-N 3.29Å; L607-E610 PolarHBondContact O-N 2.92Å; E610-A612 VanDerWaalsContact C-N 3.35Å; E610-A612 PolarHBondContact O-N 2.92Å; E610-K613 PolarHBondContact O-N 3.28Å; E610-K613 WeakPolarHBondContact OE1-CD 3.3Å; E610-K613 IonicContact OE1-NZ 2.71Å; E610-K613 PolarHBondContact OE1-NZ 3.01Å; E610-E614 WeakPolarHBondContact O-CB 3.32Å; E610-E614 PolarHBondContact O-N 3.17Å |
| 611 | M | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 33.1 Ų | 33.1 | 2% | 0.02 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.1 | -45.6 | 172.5 | -74.1 | 170.7 | 56.3 | 0 | 0 | 111.6 | F558 V571 P575 L607 L608 E614 T615 A702 I703 | F558-M611 HydrophobicContact CE2-CG 3.88Å; F558-M611 HydrophobicContact CE2-SD 4.31Å; F558-M611 HydrophobicContact CZ-CG 4.01Å; V571-M611 HydrophobicContact CG1-CE 3.8Å; V571-M611 HydrophobicContact CG1-CG 3.89Å; V571-M611 HydrophobicContact CG1-SD 3.93Å; V571-M611 HydrophobicContact CG2-CG 4.22Å; V571-M611 HydrophobicContact CG2-SD 4.44Å; P575-M611 HydrophobicContact CG-SD 3.77Å; L607-M611 VanDerWaalsContact O-CG 3.28Å; L607-M611 WeakPolarHBondContact O-CG 3.36Å; L607-M611 PolarHBondContact O-N 3.3Å; L608-M611 HydrophobicContact CD2-SD 4.33Å; L608-M611 PolarHBondContact O-N 3.21Å; M611-E614 PolarHBondContact O-N 2.99Å; M611-T615 WeakPolarHBondContact O-CB 3.39Å; M611-T615 PolarHBondContact O-N 3.09Å; M611-T615 PolarHBondContact O-OG1 3.36Å; M611-A702 HydrophobicContact CE-CB 4.29Å; M611-I703 HydrophobicContact CE-CG1 4.08Å |
| 612 | A | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.7 | -41.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L608 D609 E610 T615 R616 | L608-A612 WeakPolarHBondContact O-CB 3.46Å; L608-A612 PolarHBondContact O-N 3.43Å; D609-A612 PolarHBondContact O-N 3.16Å; E610-A612 VanDerWaalsContact C-N 3.35Å; E610-A612 PolarHBondContact O-N 2.92Å; A612-T615 PolarHBondContact O-N 2.91Å; A612-R616 VanDerWaalsContact O-CB 3.25Å; A612-R616 WeakPolarHBondContact O-CB 3.44Å; A612-R616 PolarHBondContact O-N 3.2Å |
| 613 | K | 97.9 | Very high | 97.3 | Very high | 54 Ų | 54 | 28.4 Ų | 28.4 | 24% | 0.235 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.3 | -45.1 | 175 | -76.4 | 171.9 | -171.6 | 160.1 | 0 | 112.3 | D609 E610 R616 N617 H725 | D609-K613 WeakPolarHBondContact O-CB 3.41Å; D609-K613 VanDerWaalsContact O-CG 3.29Å; D609-K613 WeakPolarHBondContact O-CG 3.32Å; D609-K613 PolarHBondContact O-N 3.1Å; D609-K613 WeakPolarHBondContact OD2-CE 3.45Å; D609-K613 IonicContact OD2-NZ 3.18Å; D609-K613 PolarHBondContact OD2-NZ 3.38Å; E610-K613 PolarHBondContact O-N 3.28Å; E610-K613 WeakPolarHBondContact OE1-CD 3.3Å; E610-K613 IonicContact OE1-NZ 2.71Å; E610-K613 PolarHBondContact OE1-NZ 3.01Å; K613-R616 PolarHBondContact O-N 3.47Å; K613-N617 PolarHBondContact O-N 2.87Å; K613-N617 PolarHBondContact O-ND2 3.44Å; K613-N617 PolarHBondContact O-OD1 3.12Å; K613-H725 VanDerWaalsContact CG-CE1 3.44Å; K613-H725 WeakPolarHBondContact CG-CE1 3.26Å |
| 614 | E | 97 | Very high | 97.2 | Very high | 73 Ų | 73 | 32.7 Ų | 32.7 | 34% | 0.341 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -66.2 | -44 | -179.4 | -173.9 | 55.6 | -157.4 | 0 | 0 | 111 | E610 M611 R616 N617 V618 L699 | E610-E614 WeakPolarHBondContact O-CB 3.32Å; E610-E614 PolarHBondContact O-N 3.17Å; M611-E614 PolarHBondContact O-N 2.99Å; E614-R616 PolarHBondContact O-N 2.9Å; E614-N617 WeakPolarHBondContact O-CB 3.22Å; E614-N617 PolarHBondContact O-N 3.46Å; E614-N617 VanDerWaalsContact O-N 3.09Å; E614-V618 WeakPolarHBondContact O-CG2 3.43Å; E614-V618 PolarHBondContact O-N 2.94Å; E614-L699 HydrophobicContact CG-CD1 4.09Å |
| 615 | T | 96.5 | Very high | 97 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.5 | -46.7 | 174.6 | -52 | 0 | 0 | 0 | 0 | 111.3 | M611 A612 N617 V618 V619 L696 L699 I703 L722 | M611-T615 WeakPolarHBondContact O-CB 3.39Å; M611-T615 PolarHBondContact O-N 3.09Å; M611-T615 PolarHBondContact O-OG1 3.36Å; A612-T615 PolarHBondContact O-N 2.91Å; T615-N617 VanDerWaalsContact C-N 3.29Å; T615-N617 PolarHBondContact O-N 3.47Å; T615-V618 PolarHBondContact O-N 2.83Å; T615-V619 VanDerWaalsContact O-CG2 3.32Å; T615-V619 WeakPolarHBondContact O-CG2 3.41Å; T615-V619 PolarHBondContact O-N 3.3Å; T615-L696 HydrophobicContact CG2-CD1 4.19Å; T615-L699 HydrophobicContact CG2-CB 4.33Å; T615-I703 HydrophobicContact CG2-CD1 4.03Å; T615-I703 WeakPolarHBondContact OG1-CD1 3.36Å; T615-L722 HydrophobicContact CG2-CD1 3.69Å; T615-L722 HydrophobicContact CG2-CD2 4.27Å |
| 616 | R | 96.9 | Very high | 96.9 | Very high | 54 Ų | 54 | 36.3 Ų | 36.3 | 20% | 0.204 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.2 | -38.6 | 174 | 176.1 | -146.6 | 66.1 | -166.1 | 0.2 | 112.2 | A612 K613 E614 V619 A620 H725 L726 R729 | A612-R616 VanDerWaalsContact O-CB 3.25Å; A612-R616 WeakPolarHBondContact O-CB 3.44Å; A612-R616 PolarHBondContact O-N 3.2Å; K613-R616 PolarHBondContact O-N 3.47Å; E614-R616 PolarHBondContact O-N 2.9Å; R616-V619 PolarHBondContact O-N 3.25Å; R616-A620 WeakPolarHBondContact O-CB 3.35Å; R616-A620 PolarHBondContact O-N 3.31Å; R616-H725 HydrophobicContact CB-CB 4.16Å; R616-H725 WeakPolarHBondContact CD-O 3.27Å; R616-H725 HydrophobicContact CG-CB 4.27Å; R616-H725 PolarHBondContact NH1-ND1 3.39Å; R616-H725 VanDerWaalsContact NH1-ND1 3.19Å; R616-L726 HydrophobicContact CB-CD2 4.28Å; R616-L726 HydrophobicContact CG-CD2 4.32Å; R616-R729 HydrophobicContact CG-CB 3.88Å; R616-R729 HydrophobicContact CG-CG 4.16Å |
| 617 | N | 96.7 | Very high | 96.7 | Very high | 57 Ų | 57 | 33.6 Ų | 33.6 | 31% | 0.305 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -65.9 | -44 | 177 | -65.8 | -21.1 | 0 | 0 | 0 | 111.3 | K613 E614 T615 A620 N621 | K613-N617 PolarHBondContact O-N 2.87Å; K613-N617 PolarHBondContact O-ND2 3.44Å; K613-N617 PolarHBondContact O-OD1 3.12Å; E614-N617 WeakPolarHBondContact O-CB 3.22Å; E614-N617 PolarHBondContact O-N 3.46Å; E614-N617 VanDerWaalsContact O-N 3.09Å; T615-N617 VanDerWaalsContact C-N 3.29Å; T615-N617 PolarHBondContact O-N 3.47Å; N617-A620 PolarHBondContact O-N 3.02Å; N617-N621 VanDerWaalsContact O-CG 3.29Å; N617-N621 PolarHBondContact O-N 3.46Å; N617-N621 PolarHBondContact O-ND2 3.48Å |
| 618 | V | 95.9 | Very high | 96.5 | Very high | 8 Ų | 8 | 36.9 Ų | 36.9 | 5% | 0.048 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.6 | -47.2 | 175.2 | 175.8 | 0 | 0 | 0 | 0 | 110.4 | E614 T615 A620 N621 V622 L692 A695 L696 L699 | E614-V618 WeakPolarHBondContact O-CG2 3.43Å; E614-V618 PolarHBondContact O-N 2.94Å; T615-V618 PolarHBondContact O-N 2.83Å; V618-A620 VanDerWaalsContact C-N 3.32Å; V618-A620 PolarHBondContact O-N 3.29Å; V618-N621 PolarHBondContact O-N 2.9Å; V618-N621 VanDerWaalsContact O-N 3.14Å; V618-V622 HydrophobicContact CG1-CG2 4.45Å; V618-V622 WeakPolarHBondContact O-CG2 3.19Å; V618-V622 PolarHBondContact O-N 3.44Å; V618-L692 HydrophobicContact CG1-CD2 4.26Å; V618-L692 WeakPolarHBondContact CG1-O 3.49Å; V618-A695 HydrophobicContact CG1-CB 4.26Å; V618-A695 HydrophobicContact CG2-CB 4.42Å; V618-L696 HydrophobicContact CG1-CB 3.9Å; V618-L699 HydrophobicContact CG2-CD1 3.85Å |
| 619 | V | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -55.6 | -47.2 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 111 | T615 R616 N621 V622 C623 L696 L726 L764 I767 | T615-V619 VanDerWaalsContact O-CG2 3.32Å; T615-V619 WeakPolarHBondContact O-CG2 3.41Å; T615-V619 PolarHBondContact O-N 3.3Å; R616-V619 PolarHBondContact O-N 3.25Å; V619-N621 VanDerWaalsContact C-N 3.29Å; V619-N621 PolarHBondContact O-N 3.11Å; V619-V622 WeakPolarHBondContact O-CB 3.44Å; V619-V622 PolarHBondContact O-N 3.19Å; V619-V622 VanDerWaalsContact O-N 3.14Å; V619-C623 PolarHBondContact O-N 3.09Å; V619-C623 PolarHBondContact O-SG 2.94Å; V619-L696 HydrophobicContact CG2-CD1 3.51Å; V619-L726 HydrophobicContact CB-CD2 4.09Å; V619-L726 HydrophobicContact CG1-CD2 3.88Å; V619-L726 HydrophobicContact CG2-CD2 4.17Å; V619-L764 HydrophobicContact CG1-CD2 3.67Å; V619-I767 HydrophobicContact CB-CD1 4.36Å; V619-I767 HydrophobicContact CG1-CD1 3.79Å; V619-I767 HydrophobicContact CG2-CD1 3.55Å; V619-I767 HydrophobicContact CG2-CG1 4.33Å |
| 620 | A | 96 | Very high | 96.1 | Very high | 9 Ų | 9 | 37.5 Ų | 37.5 | 7% | 0.074 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | R616 N617 V618 C623 E624 R729 | R616-A620 WeakPolarHBondContact O-CB 3.35Å; R616-A620 PolarHBondContact O-N 3.31Å; N617-A620 PolarHBondContact O-N 3.02Å; V618-A620 VanDerWaalsContact C-N 3.32Å; V618-A620 PolarHBondContact O-N 3.29Å; A620-C623 PolarHBondContact O-N 3.33Å; A620-E624 WeakPolarHBondContact O-CB 3.17Å; A620-E624 PolarHBondContact O-N 2.86Å; A620-R729 HydrophobicContact CB-CG 4.48Å |
| 621 | N | 96.8 | Very high | 95.8 | Very high | 71 Ų | 71 | 37.1 Ų | 37.1 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -69.1 | -37.7 | 176.1 | -66.6 | -24.1 | 0 | 0 | 0 | 112 | N617 V618 V619 E624 K625 L692 | N617-N621 VanDerWaalsContact O-CG 3.29Å; N617-N621 PolarHBondContact O-N 3.46Å; N617-N621 PolarHBondContact O-ND2 3.48Å; V618-N621 PolarHBondContact O-N 2.9Å; V618-N621 VanDerWaalsContact O-N 3.14Å; V619-N621 VanDerWaalsContact C-N 3.29Å; V619-N621 PolarHBondContact O-N 3.11Å; N621-E624 PolarHBondContact O-N 3.1Å; N621-K625 WeakPolarHBondContact O-CG 3.32Å; N621-K625 PolarHBondContact O-N 3.32Å; N621-K625 VanDerWaalsContact O-N 3.13Å; N621-L692 HydrophobicContact CB-CD1 3.85Å; N621-L692 HydrophobicContact CB-CD2 3.83Å |
| 622 | V | 96.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 40.5 Ų | 40.5 | 2% | 0.024 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -50.2 | 172.7 | 175.3 | 0 | 0 | 0 | 0 | 109.4 | V618 V619 E624 K625 H626 L689 L692 V763 | V618-V622 HydrophobicContact CG1-CG2 4.45Å; V618-V622 WeakPolarHBondContact O-CG2 3.19Å; V618-V622 PolarHBondContact O-N 3.44Å; V619-V622 WeakPolarHBondContact O-CB 3.44Å; V619-V622 PolarHBondContact O-N 3.19Å; V619-V622 VanDerWaalsContact O-N 3.14Å; V622-E624 VanDerWaalsContact C-N 3.33Å; V622-E624 PolarHBondContact O-N 3.24Å; V622-K625 PolarHBondContact O-N 2.67Å; V622-K625 VanDerWaalsContact O-N 3.15Å; V622-H626 PolarHBondContact O-CD2 2.95Å; V622-H626 VanDerWaalsContact O-CD2 3.31Å; V622-H626 PolarHBondContact O-N 3.12Å; V622-L689 HydrophobicContact CG1-CD1 4.15Å; V622-L692 HydrophobicContact CG2-CB 3.66Å; V622-L692 HydrophobicContact CG2-CD1 4.36Å; V622-V763 HydrophobicContact CB-CG1 4.25Å; V622-V763 HydrophobicContact CG1-CG1 3.62Å |
| 623 | C | 96.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -44.9 | 177.1 | -65.9 | 0 | 0 | 0 | 0 | 112.1 | V619 A620 K625 H626 C627 Y760 V763 | V619-C623 PolarHBondContact O-N 3.09Å; V619-C623 PolarHBondContact O-SG 2.94Å; A620-C623 PolarHBondContact O-N 3.33Å; C623-K625 VanDerWaalsContact C-N 3.32Å; C623-K625 PolarHBondContact O-N 3.09Å; C623-H626 PolarHBondContact O-N 3.16Å; C623-C627 WeakPolarHBondContact O-CB 3.37Å; C623-C627 PolarHBondContact O-N 3.31Å; C623-C627 PolarHBondContact O-SG 2.64Å; C623-Y760 HydrophobicContact CB-CD2 3.38Å; C623-Y760 HydrophobicContact CB-CE2 3.23Å; C623-Y760 HydrophobicContact CB-CG 4.1Å; C623-Y760 VanDerWaalsContact SG-CE2 3.57Å; C623-Y760 VanDerWaalsContact SG-CZ 3.59Å; C623-V763 WeakPolarHBondContact SG-CG1 3.49Å |
| 624 | E | 95 | Very high | 94.8 | Very high | 103 Ų | 103 | 44.6 Ų | 44.6 | 48% | 0.481 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57.9 | -44.9 | 177.2 | -173.4 | -168.8 | 143.6 | 0 | 0 | 111.5 | A620 N621 V622 C627 L628 | A620-E624 WeakPolarHBondContact O-CB 3.17Å; A620-E624 PolarHBondContact O-N 2.86Å; N621-E624 PolarHBondContact O-N 3.1Å; V622-E624 VanDerWaalsContact C-N 3.33Å; V622-E624 PolarHBondContact O-N 3.24Å; E624-C627 PolarHBondContact O-N 3.33Å; E624-L628 WeakPolarHBondContact O-CG 3.37Å; E624-L628 PolarHBondContact O-N 3.16Å |
| 625 | K | 95 | Very high | 94.4 | Very high | 73 Ų | 73 | 46.1 Ų | 46.1 | 32% | 0.317 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.1 | -41 | 177.6 | -64.5 | -61.2 | 165.5 | -150.1 | 0 | 112.4 | N621 V622 C623 L628 L629 L689 L692 | N621-K625 WeakPolarHBondContact O-CG 3.32Å; N621-K625 PolarHBondContact O-N 3.32Å; N621-K625 VanDerWaalsContact O-N 3.13Å; V622-K625 PolarHBondContact O-N 2.67Å; V622-K625 VanDerWaalsContact O-N 3.15Å; C623-K625 VanDerWaalsContact C-N 3.32Å; C623-K625 PolarHBondContact O-N 3.09Å; K625-L628 HydrophobicContact CD-CD1 4.39Å; K625-L628 PolarHBondContact O-N 2.9Å; K625-L629 WeakPolarHBondContact O-CG 3.18Å; K625-L629 PolarHBondContact O-N 2.96Å; K625-L689 HydrophobicContact CB-CD1 4.12Å; K625-L692 HydrophobicContact CG-CD1 4.32Å |
| 626 | H | 95.2 | Very high | 93.8 | Very high | 59 Ų | 59 | 50 Ų | 50 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.1 | -38.4 | 174.7 | -84.4 | -91.4 | 0 | 0 | 0 | 112.3 | V622 C623 L629 S630 T759 V763 | V622-H626 PolarHBondContact O-CD2 2.95Å; V622-H626 VanDerWaalsContact O-CD2 3.31Å; V622-H626 PolarHBondContact O-N 3.12Å; C623-H626 PolarHBondContact O-N 3.16Å; H626-L629 PolarHBondContact O-N 3.27Å; H626-S630 VanDerWaalsContact O-CB 3.3Å; H626-S630 WeakPolarHBondContact O-CB 3.23Å; H626-S630 PolarHBondContact O-N 3.44Å; H626-T759 HydrophobicContact CB-CG2 3.8Å; H626-T759 WeakPolarHBondContact O-CG2 3.46Å; H626-V763 HydrophobicContact CB-CG2 3.63Å |
| 627 | C | 94.5 | Very high | 93.4 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.5 | -73.1 | 0 | 0 | 0 | 0 | 111.6 | C623 E624 L629 S630 E631 | C623-C627 WeakPolarHBondContact O-CB 3.37Å; C623-C627 PolarHBondContact O-N 3.31Å; C623-C627 PolarHBondContact O-SG 2.64Å; E624-C627 PolarHBondContact O-N 3.33Å; C627-L629 PolarHBondContact O-N 3.05Å; C627-S630 CarbonylContact O-C 3.47Å; C627-S630 WeakPolarHBondContact O-CB 3.33Å; C627-S630 PolarHBondContact O-N 3.2Å; C627-E631 WeakPolarHBondContact O-CB 3.49Å; C627-E631 WeakPolarHBondContact O-CG 3.45Å; C627-E631 PolarHBondContact O-N 3.48Å |
| 628 | L | 93.5 | Very high | 92.8 | Very high | 72 Ų | 72 | 50.3 Ų | 50.3 | 38% | 0.377 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 176.2 | -69.6 | 171.6 | 0 | 0 | 0 | 112.2 | E624 K625 S630 E631 E632 | E624-L628 WeakPolarHBondContact O-CG 3.37Å; E624-L628 PolarHBondContact O-N 3.16Å; K625-L628 HydrophobicContact CD-CD1 4.39Å; K625-L628 PolarHBondContact O-N 2.9Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 2.81Å; L628-E631 WeakPolarHBondContact O-CB 3.39Å; L628-E631 PolarHBondContact O-N 3.17Å; L628-E632 PolarHBondContact O-N 3.48Å |
| 629 | L | 93.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 52.3 Ų | 52.3 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.4 | -39 | 175.3 | -66.9 | 175.3 | 0 | 0 | 0 | 111.8 | K625 H626 C627 E631 E632 E677 L689 | K625-L629 WeakPolarHBondContact O-CG 3.18Å; K625-L629 PolarHBondContact O-N 2.96Å; H626-L629 PolarHBondContact O-N 3.27Å; C627-L629 PolarHBondContact O-N 3.05Å; L629-E631 VanDerWaalsContact C-N 3.35Å; L629-E632 WeakPolarHBondContact O-CB 3.19Å; L629-E632 PolarHBondContact O-N 3.19Å; L629-E677 HydrophobicContact CD1-CG 4.47Å; L629-E677 HydrophobicContact CD2-CG 3.93Å; L629-L689 HydrophobicContact CD1-CD2 4.47Å |
| 630 | S | 93.8 | Very high | 91.7 | Very high | 17 Ų | 17 | 58.6 Ų | 58.6 | 12% | 0.119 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67 | -36.5 | 175.5 | -168 | 0 | 0 | 0 | 0 | 111.8 | H626 C627 L628 E632 L633 N755 T759 | H626-S630 VanDerWaalsContact O-CB 3.3Å; H626-S630 WeakPolarHBondContact O-CB 3.23Å; H626-S630 PolarHBondContact O-N 3.44Å; C627-S630 CarbonylContact O-C 3.47Å; C627-S630 WeakPolarHBondContact O-CB 3.33Å; C627-S630 PolarHBondContact O-N 3.2Å; L628-S630 VanDerWaalsContact C-N 3.32Å; L628-S630 PolarHBondContact O-N 2.81Å; S630-E632 VanDerWaalsContact C-N 3.31Å; S630-E632 PolarHBondContact O-N 2.9Å; S630-L633 WeakPolarHBondContact O-CB 3.38Å; S630-L633 PolarHBondContact O-N 3.24Å; S630-L633 VanDerWaalsContact O-N 3.12Å; S630-N755 PolarHBondContact OG-ND2 2.88Å; S630-N755 PolarHBondContact OG-OD1 3Å; S630-T759 WeakPolarHBondContact CB-OG1 3.42Å; S630-T759 PolarHBondContact OG-OG1 3.36Å |
| 631 | E | 91.8 | Very high | 91.1 | Very high | 65 Ų | 65 | 62 Ų | 62 | 30% | 0.304 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -37.5 | 174.2 | -79.5 | 175.7 | -160.7 | 0 | 0 | 112.2 | C627 L628 L629 L633 L634 N637 | C627-E631 WeakPolarHBondContact O-CB 3.49Å; C627-E631 WeakPolarHBondContact O-CG 3.45Å; C627-E631 PolarHBondContact O-N 3.48Å; L628-E631 WeakPolarHBondContact O-CB 3.39Å; L628-E631 PolarHBondContact O-N 3.17Å; L629-E631 VanDerWaalsContact C-N 3.35Å; E631-L633 PolarHBondContact O-N 3.14Å; E631-L634 HydrophobicContact CB-CD1 4.19Å; E631-L634 HydrophobicContact CG-CD1 4.09Å; E631-L634 VanDerWaalsContact O-CB 3.27Å; E631-L634 WeakPolarHBondContact O-CB 3.49Å; E631-L634 WeakPolarHBondContact O-CG 3.36Å; E631-L634 PolarHBondContact O-N 3.26Å; E631-N637 PolarHBondContact O-ND2 3.37Å |
| 632 | E | 91.2 | Very high | 90.5 | Very high | 74 Ų | 74 | 63 Ų | 63 | 35% | 0.346 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60 | -27.7 | 176 | -68.8 | -178.1 | -173.9 | 0 | 0 | 112.6 | L628 L629 S630 L634 P674 | L628-E632 PolarHBondContact O-N 3.48Å; L629-E632 WeakPolarHBondContact O-CB 3.19Å; L629-E632 PolarHBondContact O-N 3.19Å; S630-E632 VanDerWaalsContact C-N 3.31Å; S630-E632 PolarHBondContact O-N 2.9Å; E632-L634 VanDerWaalsContact C-N 3.34Å; E632-P674 HydrophobicContact CB-CB 4.28Å; E632-P674 HydrophobicContact CB-CG 4.09Å |
| 633 | L | 90.9 | Very high | 90 | Very high | 126 Ų | 126 | 66.6 Ų | 66.6 | 66% | 0.66 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.3 | 177 | -60.2 | 175.1 | 0 | 0 | 0 | 113.8 | S630 E631 P674 | S630-L633 WeakPolarHBondContact O-CB 3.38Å; S630-L633 PolarHBondContact O-N 3.24Å; S630-L633 VanDerWaalsContact O-N 3.12Å; E631-L633 PolarHBondContact O-N 3.14Å; L633-P674 HydrophobicContact CD2-CB 3.51Å; L633-P674 HydrophobicContact CD2-CG 4.12Å; L633-P674 HydrophobicContact CG-CB 4.39Å |
| 634 | L | 91.2 | Very high | 89.5 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 8% | 0.084 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -63.4 | 141.9 | -179.2 | -69 | 171.6 | 0 | 0 | 0 | 111.5 | E631 E632 K636 N637 E752 N755 | E631-L634 HydrophobicContact CB-CD1 4.19Å; E631-L634 HydrophobicContact CG-CD1 4.09Å; E631-L634 VanDerWaalsContact O-CB 3.27Å; E631-L634 WeakPolarHBondContact O-CB 3.49Å; E631-L634 WeakPolarHBondContact O-CG 3.36Å; E631-L634 PolarHBondContact O-N 3.26Å; E632-L634 VanDerWaalsContact C-N 3.34Å; L634-K636 HydrophobicContact CB-CG 4.08Å; L634-K636 PolarHBondContact O-N 2.92Å; L634-N637 PolarHBondContact O-N 3.43Å; L634-E752 HydrophobicContact CD1-CG 4.15Å; L634-E752 HydrophobicContact CD2-CG 4.47Å; L634-N755 HydrophobicContact CD2-CB 4.46Å |
| 635 | P | 88.1 | Confident | 89 | Confident | 105 Ų | 105 | 68.6 Ų | 68.6 | 68% | 0.682 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -52.9 | -31.7 | -178.7 | -29.2 | 35.2 | 0 | 0 | 0 | 114.6 | N637 C638 A639 | P635-N637 VanDerWaalsContact C-N 3.26Å; P635-N637 PolarHBondContact O-N 3.25Å; P635-C638 PolarHBondContact O-N 3Å; P635-A639 WeakPolarHBondContact O-CB 3.16Å; P635-A639 PolarHBondContact O-N 3.37Å |
| 636 | K | 85.9 | Confident | 88.5 | Confident | 83 Ų | 83 | 68.9 Ų | 68.9 | 36% | 0.361 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.1 | -32.4 | 177.2 | 68.6 | -175.8 | 174.6 | -168.2 | 0 | 113.5 | L634 K640 E752 | L634-K636 HydrophobicContact CB-CG 4.08Å; L634-K636 PolarHBondContact O-N 2.92Å; K636-K640 WeakPolarHBondContact O-CG 3.35Å; K636-K640 PolarHBondContact O-N 3.3Å; K636-E752 WeakPolarHBondContact CD-OE1 3.08Å; K636-E752 WeakPolarHBondContact CE-OE1 3.18Å; K636-E752 IonicContact NZ-OE1 3.81Å; K636-E752 PolarHBondContact NZ-OE1 2.91Å; K636-E752 IonicContact NZ-OE2 3.19Å; K636-E752 PolarHBondContact NZ-OE2 3.34Å |
| 637 | N | 87.4 | Confident | 87.9 | Confident | 48 Ų | 48 | 71 Ų | 71 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -79.1 | -39.3 | 179.5 | -70.4 | -27.7 | 0 | 0 | 0 | 110.9 | E631 L634 P635 K640 M641 | E631-N637 PolarHBondContact O-ND2 3.37Å; L634-N637 PolarHBondContact O-N 3.43Å; P635-N637 VanDerWaalsContact C-N 3.26Å; P635-N637 PolarHBondContact O-N 3.25Å; N637-K640 PolarHBondContact O-N 3.05Å; N637-M641 PolarHBondContact O-N 3.27Å |
| 638 | C | 83.9 | Confident | 87.2 | Confident | 69 Ų | 69 | 78 Ų | 78 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 171.1 | -173 | 0 | 0 | 0 | 0 | 112.2 | P635 K640 M641 I642 | P635-C638 PolarHBondContact O-N 3Å; C638-K640 VanDerWaalsContact C-N 3.33Å; C638-K640 PolarHBondContact O-N 3.16Å; C638-M641 WeakPolarHBondContact O-CB 3.27Å; C638-M641 PolarHBondContact O-N 3.37Å; C638-I642 PolarHBondContact O-N 2.91Å |
| 639 | A | 86.2 | Confident | 86.4 | Confident | 50 Ų | 50 | 81.7 Ų | 81.7 | 41% | 0.413 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -58.3 | -41.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | P635 M641 I642 V643 | P635-A639 WeakPolarHBondContact O-CB 3.16Å; P635-A639 PolarHBondContact O-N 3.37Å; A639-M641 VanDerWaalsContact C-N 3.31Å; A639-M641 PolarHBondContact O-N 3.11Å; A639-I642 PolarHBondContact O-N 3.47Å; A639-V643 WeakPolarHBondContact O-CG2 3.36Å; A639-V643 PolarHBondContact O-N 2.94Å |
| 640 | K | 84 | Confident | 85.4 | Confident | 132 Ų | 132 | 88.4 Ų | 88.4 | 57% | 0.574 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -57.8 | -43.7 | 174.5 | -71.7 | 173.8 | -176.1 | 172.9 | 0 | 111.6 | K636 N637 C638 I642 V643 E644 | K636-K640 WeakPolarHBondContact O-CG 3.35Å; K636-K640 PolarHBondContact O-N 3.3Å; N637-K640 PolarHBondContact O-N 3.05Å; C638-K640 VanDerWaalsContact C-N 3.33Å; C638-K640 PolarHBondContact O-N 3.16Å; K640-I642 PolarHBondContact O-N 3.04Å; K640-V643 PolarHBondContact O-N 3.32Å; K640-E644 WeakPolarHBondContact O-CG 3.31Å; K640-E644 PolarHBondContact O-N 3.16Å |
| 641 | M | 82.5 | Confident | 84 | Confident | 81 Ų | 81 | 95.4 Ų | 95.4 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.8 | -61.7 | 175.8 | 71.7 | 0 | 0 | 112.3 | N637 C638 A639 E644 A645 L673 | N637-M641 PolarHBondContact O-N 3.27Å; C638-M641 WeakPolarHBondContact O-CB 3.27Å; C638-M641 PolarHBondContact O-N 3.37Å; A639-M641 VanDerWaalsContact C-N 3.31Å; A639-M641 PolarHBondContact O-N 3.11Å; M641-E644 PolarHBondContact O-N 2.97Å; M641-A645 VanDerWaalsContact O-CB 3.32Å; M641-A645 WeakPolarHBondContact O-CB 3.48Å; M641-A645 PolarHBondContact O-N 3.37Å; M641-L673 HydrophobicContact CE-CD2 3.3Å; M641-L673 HydrophobicContact SD-CD2 4.48Å |
| 642 | I | 85.1 | Confident | 82.5 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | 176 | -65.1 | 169.8 | 0 | 0 | 0 | 110.4 | C638 A639 K640 E644 A645 I646 | C638-I642 PolarHBondContact O-N 2.91Å; A639-I642 PolarHBondContact O-N 3.47Å; K640-I642 PolarHBondContact O-N 3.04Å; I642-E644 PolarHBondContact O-N 3.2Å; I642-A645 PolarHBondContact O-N 3.24Å; I642-I646 HydrophobicContact CG2-CD1 3.83Å; I642-I646 HydrophobicContact CG2-CG1 4.46Å; I642-I646 VanDerWaalsContact O-CG1 3.31Å; I642-I646 WeakPolarHBondContact O-CG1 3.29Å; I642-I646 PolarHBondContact O-N 2.93Å |
| 643 | V | 85.6 | Confident | 80.9 | Confident | 79 Ų | 79 | 102.8 Ų | 102.8 | 48% | 0.479 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 177.7 | 172.8 | 0 | 0 | 0 | 0 | 111 | A639 K640 A645 I646 Q647 | A639-V643 WeakPolarHBondContact O-CG2 3.36Å; A639-V643 PolarHBondContact O-N 2.94Å; K640-V643 PolarHBondContact O-N 3.32Å; V643-A645 VanDerWaalsContact C-N 3.34Å; V643-A645 PolarHBondContact O-N 3.45Å; V643-I646 PolarHBondContact O-N 3.48Å; V643-Q647 HydrophobicContact CG1-CG 4.49Å; V643-Q647 WeakPolarHBondContact O-CG 3.24Å; V643-Q647 PolarHBondContact O-N 2.78Å |
| 644 | E | 85 | Confident | 78.8 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 44% | 0.439 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.1 | -75 | -172.9 | -162.8 | 0 | 0 | 112.5 | K640 M641 I642 Q647 R648 | K640-E644 WeakPolarHBondContact O-CG 3.31Å; K640-E644 PolarHBondContact O-N 3.16Å; M641-E644 PolarHBondContact O-N 2.97Å; I642-E644 PolarHBondContact O-N 3.2Å; E644-Q647 PolarHBondContact O-N 2.83Å; E644-R648 WeakPolarHBondContact O-CB 3.5Å; E644-R648 VanDerWaalsContact O-CG 3.3Å; E644-R648 WeakPolarHBondContact O-CG 3.49Å; E644-R648 PolarHBondContact O-N 2.92Å; E644-R648 IonicContact OE2-NH2 3.03Å; E644-R648 PolarHBondContact OE2-NH2 2.59Å |
| 645 | A | 84 | Confident | 76.2 | Confident | 50 Ų | 50 | 107.3 Ų | 107.3 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | M641 I642 V643 R648 Q649 | M641-A645 VanDerWaalsContact O-CB 3.32Å; M641-A645 WeakPolarHBondContact O-CB 3.48Å; M641-A645 PolarHBondContact O-N 3.37Å; I642-A645 PolarHBondContact O-N 3.24Å; V643-A645 VanDerWaalsContact C-N 3.34Å; V643-A645 PolarHBondContact O-N 3.45Å; A645-R648 PolarHBondContact O-N 3.15Å; A645-Q649 PolarHBondContact O-N 3.49Å |
| 646 | I | 84.3 | Confident | 73.6 | Confident | 79 Ų | 79 | 110 Ų | 110 | 41% | 0.405 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -61.4 | -44.4 | 175.2 | -67.9 | 168 | 0 | 0 | 0 | 110.7 | I642 V643 R648 Q649 R650 | I642-I646 HydrophobicContact CG2-CD1 3.83Å; I642-I646 HydrophobicContact CG2-CG1 4.46Å; I642-I646 VanDerWaalsContact O-CG1 3.31Å; I642-I646 WeakPolarHBondContact O-CG1 3.29Å; I642-I646 PolarHBondContact O-N 2.93Å; V643-I646 PolarHBondContact O-N 3.48Å; I646-R648 PolarHBondContact O-N 2.85Å; I646-Q649 PolarHBondContact O-N 3.28Å; I646-R650 WeakPolarHBondContact O-CG 3.18Å; I646-R650 PolarHBondContact O-N 2.88Å |
| 647 | Q | 83.1 | Confident | 71.2 | Confident | 104 Ų | 104 | 111.2 Ų | 111.2 | 49% | 0.486 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.3 | -39.4 | 177.7 | -72.7 | -180 | 8.9 | 0 | 0 | 112.5 | V643 E644 R650 K651 | V643-Q647 HydrophobicContact CG1-CG 4.49Å; V643-Q647 WeakPolarHBondContact O-CG 3.24Å; V643-Q647 PolarHBondContact O-N 2.78Å; E644-Q647 PolarHBondContact O-N 2.83Å; Q647-R650 PolarHBondContact O-N 3.13Å; Q647-K651 WeakPolarHBondContact O-CG 3.25Å; Q647-K651 PolarHBondContact O-N 2.93Å |
| 648 | R | 79.5 | Confident | 68.8 | Low | 159 Ų | 159 | 117.5 Ų | 117.5 | 60% | 0.6 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -64.5 | -38.5 | 174.7 | -73.4 | 175.8 | -168 | -179.1 | 9.7 | 111.8 | E644 A645 I646 K652 | E644-R648 WeakPolarHBondContact O-CB 3.5Å; E644-R648 VanDerWaalsContact O-CG 3.3Å; E644-R648 WeakPolarHBondContact O-CG 3.49Å; E644-R648 PolarHBondContact O-N 2.92Å; E644-R648 IonicContact OE2-NH2 3.03Å; E644-R648 PolarHBondContact OE2-NH2 2.59Å; A645-R648 PolarHBondContact O-N 3.15Å; I646-R648 PolarHBondContact O-N 2.85Å; R648-K652 PolarHBondContact O-N 2.72Å; R648-K652 VanDerWaalsContact O-N 3.17Å |
| 649 | Q | 76.9 | Confident | 66.6 | Low | 149 Ų | 149 | 120.3 Ų | 120.3 | 70% | 0.696 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.3 | -44.5 | 174.4 | -73.7 | -166.7 | -2.8 | 0 | 0 | 112.1 | A645 I646 K651 K652 S653 | A645-Q649 PolarHBondContact O-N 3.49Å; I646-Q649 PolarHBondContact O-N 3.28Å; Q649-K651 VanDerWaalsContact C-N 3.33Å; Q649-K651 PolarHBondContact O-N 3.38Å; Q649-K652 PolarHBondContact O-N 3.44Å; Q649-K652 VanDerWaalsContact O-N 3.12Å; Q649-S653 PolarHBondContact O-N 3.32Å; Q649-S653 VanDerWaalsContact O-N 3.14Å |
| 650 | R | 73.5 | Confident | 64.1 | Low | 184 Ų | 184 | 126.6 Ų | 126.6 | 69% | 0.694 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -61.4 | -36.9 | 175.2 | -72.9 | -179.3 | 177.1 | 177.3 | -0.1 | 113 | I646 Q647 S653 G654 | I646-R650 WeakPolarHBondContact O-CG 3.18Å; I646-R650 PolarHBondContact O-N 2.88Å; Q647-R650 PolarHBondContact O-N 3.13Å; R650-S653 PolarHBondContact O-N 3.11Å; R650-S653 PolarHBondContact O-OG 3.45Å; R650-G654 PolarHBondContact O-N 2.86Å |
| 651 | K | 64.4 | Low | 61.7 | Low | 164 Ų | 164 | 130.5 Ų | 130.5 | 71% | 0.713 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -68.9 | -29.9 | 174.5 | -75.5 | -177.5 | -178.1 | 177.9 | 0 | 113.1 | Q647 Q649 G654 | Q647-K651 WeakPolarHBondContact O-CG 3.25Å; Q647-K651 PolarHBondContact O-N 2.93Å; Q649-K651 VanDerWaalsContact C-N 3.33Å; Q649-K651 PolarHBondContact O-N 3.38Å; K651-G654 PolarHBondContact O-N 3.33Å |
| 652 | K | 60 | Low | 59.3 | Low | 193 Ų | 193 | 129.7 Ų | 129.7 | 84% | 0.839 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -75.8 | -25.9 | 174.1 | -80.9 | -176.1 | 176.9 | -179.7 | 0 | 113.3 | R648 Q649 G654 | R648-K652 PolarHBondContact O-N 2.72Å; R648-K652 VanDerWaalsContact O-N 3.17Å; Q649-K652 PolarHBondContact O-N 3.44Å; Q649-K652 VanDerWaalsContact O-N 3.12Å; K652-G654 VanDerWaalsContact C-N 3.31Å |
| 653 | S | 58.1 | Low | 57.1 | Low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -79.7 | -12.2 | 172.8 | 65.6 | 0 | 0 | 0 | 0 | 113.5 | Q649 R650 | Q649-S653 PolarHBondContact O-N 3.32Å; Q649-S653 VanDerWaalsContact O-N 3.14Å; R650-S653 PolarHBondContact O-N 3.11Å; R650-S653 PolarHBondContact O-OG 3.45Å |
| 654 | G | 46 | Very low | 54.6 | Low | 49 Ų | 49 | 136.8 Ų | 136.8 | 51% | 0.505 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -93.7 | 97.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | R650 K651 K652 | R650-G654 PolarHBondContact O-N 2.86Å; K651-G654 PolarHBondContact O-N 3.33Å; K652-G654 VanDerWaalsContact C-N 3.31Å |
| 655 | F | 37.1 | Very low | 52.3 | Low | 187 Ų | 187 | 143.5 Ų | 143.5 | 82% | 0.82 | 71% | 0.709 | S | S | * | * | trans | -2 | 115.9 | 159.2 | -167.9 | -96.3 | 0 | 0 | 0 | 116.9 | ||||
| 656 | M | 33.4 | Very low | 49.9 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 80% | 0.798 | 72% | 0.724 | S | S | * | * | trans | -173.1 | 117.2 | 131.3 | -98.8 | -164.5 | -55.2 | 0 | 0 | 113.1 | ||||
| 657 | T | 35.8 | Very low | 47.8 | Very low | 109 Ų | 109 | 148.7 Ų | 148.7 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | trans | 29.8 | 116.7 | 143.8 | 54.5 | 0 | 0 | 0 | 0 | 120.6 | D659 | T657-D659 PolarHBondContact O-N 3.49Š| ||
| 658 | L | 35.6 | Very low | 45.8 | Very low | 180 Ų | 180 | 148.2 Ų | 148.2 | 94% | 0.942 | 74% | 0.744 | S | S | * | * | trans | -54.8 | 93.6 | 160.7 | -68.5 | 147.7 | 0 | 0 | 0 | 111.7 | ||||
| 659 | D | 38.6 | Very low | 44.1 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 68% | 0.684 | 76% | 0.755 | S | S | * | * | trans | -130.8 | 105.8 | 158.7 | -103 | -40.2 | 0 | 0 | 0 | 112.3 | T657 | T657-D659 PolarHBondContact O-N 3.49Š| ||
| 660 | K | 33.7 | Very low | 42.8 | Very low | 181 Ų | 181 | 146 Ų | 146 | 79% | 0.787 | 75% | 0.752 | S | S | * | * | trans | 44.5 | 106.4 | 139.2 | -69.6 | 172.1 | -178.9 | 164.8 | 0 | 118.2 | G662 | K660-G662 PolarHBondContact O-N 2.85Å; K660-G662 VanDerWaalsContact O-N 3.09Å | ||
| 661 | K | 33.6 | Very low | 42.1 | Very low | 214 Ų | 214 | 140.9 Ų | 140.9 | 93% | 0.93 | 74% | 0.744 | S | S | * | * | 40.8 | 62.3 | 128.2 | -66.8 | -175.6 | 175.2 | 179.9 | 0 | 115.1 | |||||
| 662 | G | 32.1 | Very low | 42.4 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | -76.5 | 140 | 150 | 0 | 0 | 0 | 0 | 0 | 109 | K660 | K660-G662 PolarHBondContact O-N 2.85Å; K660-G662 VanDerWaalsContact O-N 3.09Å | ||
| 663 | P | 38.2 | Very low | 43.6 | Very low | 121 Ų | 121 | 134.9 Ų | 134.9 | 79% | 0.786 | 73% | 0.726 | S | S | * | * | trans | -60.9 | 146.2 | -175.4 | 29.2 | -33 | 0 | 0 | 0 | 108.5 | R665 | P663-R665 VanDerWaalsContact C-N 3.34Å; P663-R665 PolarHBondContact O-N 3.44Å | ||
| 664 | K | 34.5 | Very low | 44.9 | Very low | 201 Ų | 201 | 132.8 Ų | 132.8 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | trans | -36.6 | 100.6 | 171.8 | -66.4 | 177.1 | 179 | -180 | 0 | 107.9 | P666 | K664-P666 WeakPolarHBondContact O-CD 3.29Š| ||
| 665 | R | 35.6 | Very low | 46.9 | Very low | 234 Ų | 234 | 132.1 Ų | 132.1 | 88% | 0.883 | 70% | 0.703 | S | S | * | * | trans | -53.5 | 120.1 | 160.5 | -81.8 | -176.5 | 177.1 | -175.1 | -1.1 | 102.2 | P663 L667 | P663-R665 VanDerWaalsContact C-N 3.34Å; P663-R665 PolarHBondContact O-N 3.44Å; R665-L667 PolarHBondContact O-N 3.42Å; R665-L667 VanDerWaalsContact O-N 3.14Å | ||
| 666 | P | 34.8 | Very low | 49.2 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | -50.2 | 133.2 | 172.4 | 23.3 | -30.3 | 0 | 0 | 0 | 104.6 | K664 S668 | K664-P666 WeakPolarHBondContact O-CD 3.29Å; P666-S668 PolarHBondContact O-N 3.23Å | ||
| 667 | L | 39.3 | Very low | 51.6 | Low | 125 Ų | 125 | 122.9 Ų | 122.9 | 65% | 0.654 | 66% | 0.663 | S | S | * | * | trans | -42.1 | 100 | 176 | -69.2 | 130.3 | 0 | 0 | 0 | 106.2 | R665 P669 Q670 | R665-L667 PolarHBondContact O-N 3.42Å; R665-L667 VanDerWaalsContact O-N 3.14Å; L667-P669 VanDerWaalsContact O-N 3.08Å; L667-Q670 HydrophobicContact CB-CG 4.44Å; L667-Q670 HydrophobicContact CD2-CG 3.97Å | ||
| 668 | S | 41.6 | Very low | 54 | Low | 94 Ų | 94 | 121.9 Ų | 121.9 | 66% | 0.657 | 66% | 0.66 | S | S | * | * | trans | -54.4 | 122 | 171.7 | 48 | 0 | 0 | 0 | 0 | 102.9 | P666 Q670 | P666-S668 PolarHBondContact O-N 3.23Å; S668-Q670 VanDerWaalsContact C-N 3.29Å; S668-Q670 WeakPolarHBondContact O-CA 3.31Å; S668-Q670 PolarHBondContact O-N 3.15Å | ||
| 669 | P | 43.9 | Very low | 56.3 | Low | 125 Ų | 125 | 121.7 Ų | 121.7 | 81% | 0.812 | 65% | 0.648 | S | S | * | * | trans | -40.1 | 101.1 | -158 | 11.8 | -27.7 | 0 | 0 | 0 | 107.8 | L667 S671 | L667-P669 VanDerWaalsContact O-N 3.08Å; P669-S671 PolarHBondContact O-N 3.06Å | ||
| 670 | Q | 48.2 | Very low | 58.2 | Low | 138 Ų | 138 | 121.9 Ų | 121.9 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | trans | -64 | 117.7 | -174.1 | -82.3 | -177.3 | -27.4 | 0 | 0 | 103.1 | L667 S668 M672 | L667-Q670 HydrophobicContact CB-CG 4.44Å; L667-Q670 HydrophobicContact CD2-CG 3.97Å; S668-Q670 VanDerWaalsContact C-N 3.29Å; S668-Q670 WeakPolarHBondContact O-CA 3.31Å; S668-Q670 PolarHBondContact O-N 3.15Å; Q670-M672 PolarHBondContact O-N 3.1Å; Q670-M672 VanDerWaalsContact O-N 3.07Å | ||
| 671 | S | 60.7 | Low | 60.5 | Low | 75 Ų | 75 | 120.7 Ų | 120.7 | 52% | 0.524 | 64% | 0.636 | S | S | . | * | trans | -14.5 | 105.9 | -178.3 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | P669 L673 | P669-S671 PolarHBondContact O-N 3.06Å; S671-L673 PolarHBondContact O-N 2.94Å | ||
| 672 | M | 69.3 | Low | 63 | Low | 147 Ų | 147 | 112.7 Ų | 112.7 | 72% | 0.724 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 123.5 | 172.6 | -65.2 | -159.8 | -52.2 | 0 | 0 | 106.6 | Q670 D676 | Q670-M672 PolarHBondContact O-N 3.1Å; Q670-M672 VanDerWaalsContact O-N 3.07Å; M672-D676 WeakPolarHBondContact CA-OD2 2.98Å; M672-D676 HydrophobicContact CB-CB 4.4Å |
| 673 | L | 84.9 | Confident | 65.4 | Low | 85 Ų | 85 | 121 Ų | 121 | 45% | 0.445 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -77.2 | 147.2 | 175.4 | -67.4 | 174.4 | 0 | 0 | 0 | 107.5 | M641 S671 G675 D676 | M641-L673 HydrophobicContact CE-CD2 3.3Å; M641-L673 HydrophobicContact SD-CD2 4.48Å; S671-L673 PolarHBondContact O-N 2.94Å; L673-G675 PolarHBondContact O-N 3.05Å; L673-D676 PolarHBondContact N-OD2 3.37Å; L673-D676 WeakPolarHBondContact O-CB 3.36Å; L673-D676 VanDerWaalsContact O-CG 3.3Å; L673-D676 PolarHBondContact O-N 3.34Å |
| 674 | P | 86.9 | Confident | 67.6 | Low | 57 Ų | 57 | 122.1 Ų | 122.1 | 37% | 0.37 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -52.9 | 127 | 171.7 | -21.8 | 30.5 | 0 | 0 | 0 | 109.8 | E632 L633 | E632-P674 HydrophobicContact CB-CB 4.28Å; E632-P674 HydrophobicContact CB-CG 4.09Å; L633-P674 HydrophobicContact CD2-CB 3.51Å; L633-P674 HydrophobicContact CD2-CG 4.12Å; L633-P674 HydrophobicContact CG-CB 4.39Å |
| 675 | G | 86.9 | Confident | 69.9 | Low | 35 Ų | 35 | 117.9 Ų | 117.9 | 36% | 0.361 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 99.5 | -7.7 | -177 | 0 | 0 | 0 | 0 | 0 | 115.2 | L673 E677 S678 | L673-G675 PolarHBondContact O-N 3.05Å; G675-E677 WeakPolarHBondContact CA-OE2 3.47Å; G675-E677 PolarHBondContact N-OE2 3.44Å; G675-E677 PolarHBondContact O-N 3.35Å; G675-S678 WeakPolarHBondContact O-CB 3.32Å; G675-S678 PolarHBondContact O-N 2.9Å |
| 676 | D | 86.6 | Confident | 72.3 | Confident | 75 Ų | 75 | 111.2 Ų | 111.2 | 40% | 0.401 | 58% | 0.581 | S | S | . | * | G | 310 helix | trans | -59.9 | -29.4 | 174.5 | -80 | -12.9 | 0 | 0 | 0 | 112.1 | M672 L673 S678 Y679 | M672-D676 WeakPolarHBondContact CA-OD2 2.98Å; M672-D676 HydrophobicContact CB-CB 4.4Å; L673-D676 PolarHBondContact N-OD2 3.37Å; L673-D676 WeakPolarHBondContact O-CB 3.36Å; L673-D676 VanDerWaalsContact O-CG 3.3Å; L673-D676 PolarHBondContact O-N 3.34Å; D676-S678 PolarHBondContact O-N 3.38Å; D676-Y679 WeakPolarHBondContact O-CB 3.44Å; D676-Y679 PolarHBondContact O-N 3.39Å; D676-Y679 VanDerWaalsContact O-N 3.12Å |
| 677 | E | 83.2 | Confident | 74.9 | Confident | 80 Ų | 80 | 108.3 Ų | 108.3 | 37% | 0.374 | 56% | 0.562 | S | S | . | * | G | 310 helix | trans | -65.5 | -17.9 | 175.7 | 76.5 | -71.4 | 170.2 | 0 | 0 | 113.7 | L629 G675 | L629-E677 HydrophobicContact CD1-CG 4.47Å; L629-E677 HydrophobicContact CD2-CG 3.93Å; G675-E677 WeakPolarHBondContact CA-OE2 3.47Å; G675-E677 PolarHBondContact N-OE2 3.44Å; G675-E677 PolarHBondContact O-N 3.35Å |
| 678 | S | 85.1 | Confident | 77.4 | Confident | 87 Ų | 87 | 106.8 Ų | 106.8 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -82.9 | -15.3 | 175.8 | -64.7 | 0 | 0 | 0 | 0 | 112.9 | G675 D676 R680 | G675-S678 WeakPolarHBondContact O-CB 3.32Å; G675-S678 PolarHBondContact O-N 2.9Å; D676-S678 PolarHBondContact O-N 3.38Å; S678-R680 PolarHBondContact O-N 3.19Å |
| 679 | Y | 83.9 | Confident | 79.8 | Confident | 177 Ų | 177 | 103.9 Ų | 103.9 | 69% | 0.694 | 53% | 0.534 | S | S | * | . | trans | -78.7 | 116.3 | 177.1 | -176 | -96.8 | 0 | 0 | 0 | 111 | D676 Q681 | D676-Y679 WeakPolarHBondContact O-CB 3.44Å; D676-Y679 PolarHBondContact O-N 3.39Å; D676-Y679 VanDerWaalsContact O-N 3.12Å; Y679-Q681 HydrophobicContact CE1-CG 3.84Å | ||
| 680 | R | 80.1 | Confident | 82 | Confident | 131 Ų | 131 | 98.8 Ų | 98.8 | 49% | 0.494 | 50% | 0.5 | S | S | . | . | trans | -119.8 | 132.6 | -179.2 | -56.7 | -171.3 | -170.6 | -167.3 | 1.1 | 111.8 | S678 D690 | S678-R680 PolarHBondContact O-N 3.19Å; R680-D690 IonicContact CZ-OD1 2.69Å; R680-D690 IonicContact CZ-OD2 2.78Å; R680-D690 IonicContact NH1-OD1 3.78Å; R680-D690 PolarHBondContact NH1-OD1 3.41Å; R680-D690 IonicContact NH1-OD2 3.24Å; R680-D690 PolarHBondContact NH1-OD2 3.48Å; R680-D690 IonicContact NH2-OD1 3.7Å; R680-D690 PolarHBondContact NH2-OD1 3.13Å; R680-D690 IonicContact NH2-OD2 3.93Å; R680-D690 PolarHBondContact NH2-OD2 3.22Å | ||
| 681 | Q | 81.7 | Confident | 84.1 | Confident | 157 Ų | 157 | 98.3 Ų | 98.3 | 73% | 0.734 | 50% | 0.496 | S | S | * | . | S | Bend | trans | -90.4 | -33.9 | 173.4 | -63.9 | -173.8 | 15.2 | 0 | 0 | 112.4 | Y679 | Y679-Q681 HydrophobicContact CE1-CG 3.84Š|
| 682 | S | 85.5 | Confident | 85.7 | Confident | 46 Ų | 46 | 95.8 Ų | 95.8 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | trans | -136.5 | 154.3 | 177.8 | -179.1 | 0 | 0 | 0 | 0 | 111.9 | D684 | S682-D684 PolarHBondContact O-N 2.81Å; S682-D684 PolarHBondContact OG-N 3.15Å; S682-D684 VanDerWaalsContact OG-N 3.15Å; S682-D684 PolarHBondContact OG-OD2 2.96Å | ||
| 683 | R | 82.3 | Confident | 86.8 | Confident | 239 Ų | 239 | 92.3 Ų | 92.3 | 90% | 0.902 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | -15.5 | 170.7 | -66.7 | -178.2 | 68.5 | -175.9 | 1.6 | 113 | E685 | R683-E685 VanDerWaalsContact C-N 3.3Š|
| 684 | D | 84.6 | Confident | 87.2 | Confident | 144 Ų | 144 | 92.2 Ų | 92.2 | 77% | 0.77 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -20.1 | 178.1 | -58.7 | -37.2 | 0 | 0 | 0 | 112.3 | S682 M686 | S682-D684 PolarHBondContact O-N 2.81Å; S682-D684 PolarHBondContact OG-N 3.15Å; S682-D684 VanDerWaalsContact OG-N 3.15Å; S682-D684 PolarHBondContact OG-OD2 2.96Å; D684-M686 PolarHBondContact O-N 3.49Å |
| 685 | E | 83.3 | Confident | 87.5 | Confident | 111 Ų | 111 | 90.4 Ų | 90.4 | 52% | 0.519 | 44% | 0.444 | S | S | . | . | trans | -79.3 | 88 | 177.1 | -67.7 | 178.5 | 165.3 | 0 | 0 | 110 | R683 | R683-E685 VanDerWaalsContact C-N 3.3Š| ||
| 686 | M | 85.9 | Confident | 87.9 | Confident | 94 Ų | 94 | 88.9 Ų | 88.9 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | trans | -86.3 | 117.1 | 174 | -66.6 | -169.4 | 76.1 | 0 | 0 | 111.7 | D684 D690 K691 F694 | D684-M686 PolarHBondContact O-N 3.49Å; M686-D690 HydrophobicContact CB-CB 4.19Å; M686-D690 HydrophobicContact CE-CB 3.89Å; M686-K691 HydrophobicContact CB-CG 4.22Å; M686-K691 HydrophobicContact CE-CG 4.02Å; M686-F694 HydrophobicContact CE-CB 4.47Å | ||
| 687 | T | 89.6 | Confident | 88.3 | Confident | 53 Ų | 53 | 86.9 Ų | 86.9 | 33% | 0.325 | 42% | 0.42 | S | S | . | . | trans | -68.2 | 171 | 169.1 | 68.6 | 0 | 0 | 0 | 0 | 111.4 | L689 D690 K691 | T687-L689 VanDerWaalsContact C-N 3.26Å; T687-L689 PolarHBondContact O-N 3.22Å; T687-L689 PolarHBondContact OG1-N 2.8Å; T687-D690 WeakPolarHBondContact CB-OD2 3.07Å; T687-D690 WeakPolarHBondContact CG2-OD2 3.48Å; T687-D690 PolarHBondContact N-OD2 3.18Å; T687-D690 PolarHBondContact O-N 3.43Å; T687-D690 VanDerWaalsContact OG1-CG 3.22Å; T687-D690 PolarHBondContact OG1-N 2.87Å; T687-D690 VanDerWaalsContact OG1-N 3.11Å; T687-D690 PolarHBondContact OG1-OD2 3.34Å; T687-K691 WeakPolarHBondContact O-CG 3.34Å; T687-K691 PolarHBondContact O-N 3.21Å | ||
| 688 | V | 91.3 | Very high | 88.9 | Confident | 92 Ų | 92 | 83.9 Ų | 83.9 | 56% | 0.558 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -60.8 | -39.9 | 172.1 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | K691 L692 | V688-K691 PolarHBondContact O-N 3.44Å; V688-L692 HydrophobicContact CG1-CD1 4.1Å; V688-L692 HydrophobicContact CG1-CG 4.46Å; V688-L692 WeakPolarHBondContact O-CG 3.26Å; V688-L692 PolarHBondContact O-N 2.96Å |
| 689 | L | 92 | Very high | 89.4 | Confident | 33 Ų | 33 | 80 Ų | 80 | 17% | 0.173 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66 | -38.9 | 179.1 | -169.9 | 62.8 | 0 | 0 | 0 | 111.6 | V622 K625 L629 T687 K691 L692 Q693 | V622-L689 HydrophobicContact CG1-CD1 4.15Å; K625-L689 HydrophobicContact CB-CD1 4.12Å; L629-L689 HydrophobicContact CD1-CD2 4.47Å; T687-L689 VanDerWaalsContact C-N 3.26Å; T687-L689 PolarHBondContact O-N 3.22Å; T687-L689 PolarHBondContact OG1-N 2.8Å; L689-K691 VanDerWaalsContact C-N 3.32Å; L689-K691 PolarHBondContact O-N 2.93Å; L689-L692 PolarHBondContact O-N 3.15Å; L689-Q693 HydrophobicContact CG-CG 4.44Å; L689-Q693 WeakPolarHBondContact O-CB 2.95Å; L689-Q693 WeakPolarHBondContact O-CG 3.4Å; L689-Q693 PolarHBondContact O-N 2.81Å |
| 690 | D | 90.5 | Very high | 90 | Very high | 18 Ų | 18 | 71.6 Ų | 71.6 | 10% | 0.096 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.9 | -42.3 | 174.7 | -67.2 | -58.2 | 0 | 0 | 0 | 112.2 | R680 M686 T687 Q693 F694 | R680-D690 IonicContact CZ-OD1 2.69Å; R680-D690 IonicContact CZ-OD2 2.78Å; R680-D690 IonicContact NH1-OD1 3.78Å; R680-D690 PolarHBondContact NH1-OD1 3.41Å; R680-D690 IonicContact NH1-OD2 3.24Å; R680-D690 PolarHBondContact NH1-OD2 3.48Å; R680-D690 IonicContact NH2-OD1 3.7Å; R680-D690 PolarHBondContact NH2-OD1 3.13Å; R680-D690 IonicContact NH2-OD2 3.93Å; R680-D690 PolarHBondContact NH2-OD2 3.22Å; M686-D690 HydrophobicContact CB-CB 4.19Å; M686-D690 HydrophobicContact CE-CB 3.89Å; T687-D690 WeakPolarHBondContact CB-OD2 3.07Å; T687-D690 WeakPolarHBondContact CG2-OD2 3.48Å; T687-D690 PolarHBondContact N-OD2 3.18Å; T687-D690 PolarHBondContact O-N 3.43Å; T687-D690 VanDerWaalsContact OG1-CG 3.22Å; T687-D690 PolarHBondContact OG1-N 2.87Å; T687-D690 VanDerWaalsContact OG1-N 3.11Å; T687-D690 PolarHBondContact OG1-OD2 3.34Å; D690-Q693 PolarHBondContact O-N 3.1Å; D690-F694 WeakPolarHBondContact O-CB 3.06Å; D690-F694 PolarHBondContact O-N 3.46Å |
| 691 | K | 92.9 | Very high | 90.7 | Very high | 128 Ų | 128 | 68.6 Ų | 68.6 | 56% | 0.557 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.7 | -39 | 178.1 | -67 | 174.1 | -174.3 | 176 | 0 | 111.4 | M686 T687 V688 L689 A695 | M686-K691 HydrophobicContact CB-CG 4.22Å; M686-K691 HydrophobicContact CE-CG 4.02Å; T687-K691 WeakPolarHBondContact O-CG 3.34Å; T687-K691 PolarHBondContact O-N 3.21Å; V688-K691 PolarHBondContact O-N 3.44Å; L689-K691 VanDerWaalsContact C-N 3.32Å; L689-K691 PolarHBondContact O-N 2.93Å; K691-A695 WeakPolarHBondContact O-CB 3.36Å; K691-A695 PolarHBondContact O-N 3.45Å |
| 692 | L | 94.1 | Very high | 91.5 | Very high | 23 Ų | 23 | 61.2 Ų | 61.2 | 12% | 0.12 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 175.9 | -70.7 | 171.6 | 0 | 0 | 0 | 111.9 | V618 N621 V622 K625 V688 L689 A695 L696 | V618-L692 HydrophobicContact CG1-CD2 4.26Å; V618-L692 WeakPolarHBondContact CG1-O 3.49Å; N621-L692 HydrophobicContact CB-CD1 3.85Å; N621-L692 HydrophobicContact CB-CD2 3.83Å; V622-L692 HydrophobicContact CG2-CB 3.66Å; V622-L692 HydrophobicContact CG2-CD1 4.36Å; K625-L692 HydrophobicContact CG-CD1 4.32Å; V688-L692 HydrophobicContact CG1-CD1 4.1Å; V688-L692 HydrophobicContact CG1-CG 4.46Å; V688-L692 WeakPolarHBondContact O-CG 3.26Å; V688-L692 PolarHBondContact O-N 2.96Å; L689-L692 PolarHBondContact O-N 3.15Å; L692-A695 PolarHBondContact O-N 3.48Å; L692-L696 VanDerWaalsContact O-CB 3.3Å; L692-L696 WeakPolarHBondContact O-CB 3.45Å; L692-L696 PolarHBondContact O-N 3.39Å |
| 693 | Q | 92.3 | Very high | 92.1 | Very high | 73 Ų | 73 | 59.2 Ų | 59.2 | 34% | 0.341 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 176 | -75.2 | 178.6 | -13.6 | 0 | 0 | 111.7 | L689 D690 L696 S697 | L689-Q693 HydrophobicContact CG-CG 4.44Å; L689-Q693 WeakPolarHBondContact O-CB 2.95Å; L689-Q693 WeakPolarHBondContact O-CG 3.4Å; L689-Q693 PolarHBondContact O-N 2.81Å; D690-Q693 PolarHBondContact O-N 3.1Å; Q693-L696 PolarHBondContact O-N 3.11Å; Q693-S697 WeakPolarHBondContact O-CB 3.35Å; Q693-S697 PolarHBondContact O-N 3.43Å; Q693-S697 PolarHBondContact O-OG 3.15Å |
| 694 | F | 92.7 | Very high | 92.7 | Very high | 84 Ų | 84 | 49.7 Ų | 49.7 | 37% | 0.368 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.4 | -51.9 | 172.4 | 178.2 | -99.7 | 0 | 0 | 0 | 111.1 | P565 M686 D690 L696 S697 E698 | P565-F694 HydrophobicContact CB-CD1 4.03Å; P565-F694 HydrophobicContact CB-CE1 3.71Å; M686-F694 HydrophobicContact CE-CB 4.47Å; D690-F694 WeakPolarHBondContact O-CB 3.06Å; D690-F694 PolarHBondContact O-N 3.46Å; F694-L696 VanDerWaalsContact C-N 3.31Å; F694-L696 PolarHBondContact O-N 3.05Å; F694-S697 PolarHBondContact O-N 3.41Å; F694-S697 PolarHBondContact O-OG 3.33Å; F694-E698 HydrophobicContact CD1-CG 4.44Å; F694-E698 HydrophobicContact CE1-CG 3.99Å; F694-E698 HydrophobicContact CE2-CG 4.05Å; F694-E698 HydrophobicContact CZ-CG 3.77Å; F694-E698 WeakPolarHBondContact O-CG 3.46Å; F694-E698 PolarHBondContact O-N 3.39Å; F694-E698 VanDerWaalsContact O-N 3.09Å |
| 695 | A | 94.3 | Very high | 93.3 | Very high | 18 Ų | 18 | 46 Ų | 46 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.7 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | V618 K691 L692 E698 L699 | V618-A695 HydrophobicContact CG1-CB 4.26Å; V618-A695 HydrophobicContact CG2-CB 4.42Å; K691-A695 WeakPolarHBondContact O-CB 3.36Å; K691-A695 PolarHBondContact O-N 3.45Å; L692-A695 PolarHBondContact O-N 3.48Å; A695-E698 PolarHBondContact O-N 3.25Å; A695-L699 WeakPolarHBondContact O-CB 3.46Å; A695-L699 WeakPolarHBondContact O-CG 3.26Å; A695-L699 PolarHBondContact O-N 3.06Å |
| 696 | L | 94.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.9 | -48.1 | 176.4 | -178.2 | 60.7 | 0 | 0 | 0 | 110.8 | T615 V618 V619 L692 Q693 F694 E698 L699 C700 | T615-L696 HydrophobicContact CG2-CD1 4.19Å; V618-L696 HydrophobicContact CG1-CB 3.9Å; V619-L696 HydrophobicContact CG2-CD1 3.51Å; L692-L696 VanDerWaalsContact O-CB 3.3Å; L692-L696 WeakPolarHBondContact O-CB 3.45Å; L692-L696 PolarHBondContact O-N 3.39Å; Q693-L696 PolarHBondContact O-N 3.11Å; F694-L696 VanDerWaalsContact C-N 3.31Å; F694-L696 PolarHBondContact O-N 3.05Å; L696-E698 VanDerWaalsContact C-N 3.34Å; L696-E698 PolarHBondContact O-N 3.34Å; L696-L699 PolarHBondContact O-N 2.85Å; L696-C700 VanDerWaalsContact CD1-SG 3.58Å; L696-C700 WeakPolarHBondContact O-CB 3.23Å; L696-C700 PolarHBondContact O-N 3.22Å; L696-C700 PolarHBondContact O-SG 2.98Å |
| 697 | S | 94.2 | Very high | 94.3 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 22% | 0.224 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | -179.5 | 70.4 | 0 | 0 | 0 | 0 | 113 | Q693 F694 F701 | Q693-S697 WeakPolarHBondContact O-CB 3.35Å; Q693-S697 PolarHBondContact O-N 3.43Å; Q693-S697 PolarHBondContact O-OG 3.15Å; F694-S697 PolarHBondContact O-N 3.41Å; F694-S697 PolarHBondContact O-OG 3.33Å; S697-F701 WeakPolarHBondContact O-CB 3.44Å; S697-F701 PolarHBondContact O-N 3.27Å |
| 698 | E | 95.7 | Very high | 94.7 | Very high | 18 Ų | 18 | 44.6 Ų | 44.6 | 8% | 0.084 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.9 | -40 | 180 | -63.3 | -68.1 | 111.8 | 0 | 0 | 111.8 | S568 R569 F694 A695 L696 F701 A702 | S568-E698 WeakPolarHBondContact OG-CB 3.08Å; R569-E698 WeakPolarHBondContact CA-O 3.17Å; R569-E698 HydrophobicContact CB-CB 4.22Å; R569-E698 VanDerWaalsContact CB-OE2 3.32Å; R569-E698 WeakPolarHBondContact CB-OE2 3.16Å; R569-E698 VanDerWaalsContact CD-OE2 3.23Å; R569-E698 WeakPolarHBondContact CD-OE2 3.45Å; R569-E698 IonicContact CZ-OE1 3.03Å; R569-E698 IonicContact CZ-OE2 2.72Å; R569-E698 IonicContact NE-OE2 3.32Å; R569-E698 IonicContact NH1-OE1 2.81Å; R569-E698 PolarHBondContact NH1-OE1 2.96Å; R569-E698 IonicContact NH1-OE2 3.58Å; R569-E698 PolarHBondContact NH1-OE2 2.93Å; R569-E698 IonicContact NH2-OE1 3.98Å; F694-E698 HydrophobicContact CD1-CG 4.44Å; F694-E698 HydrophobicContact CE1-CG 3.99Å; F694-E698 HydrophobicContact CE2-CG 4.05Å; F694-E698 HydrophobicContact CZ-CG 3.77Å; F694-E698 WeakPolarHBondContact O-CG 3.46Å; F694-E698 PolarHBondContact O-N 3.39Å; F694-E698 VanDerWaalsContact O-N 3.09Å; A695-E698 PolarHBondContact O-N 3.25Å; L696-E698 VanDerWaalsContact C-N 3.34Å; L696-E698 PolarHBondContact O-N 3.34Å; E698-F701 PolarHBondContact O-N 3.04Å; E698-A702 PolarHBondContact O-N 2.81Å; E698-A702 VanDerWaalsContact O-N 3.08Å |
| 699 | L | 96.5 | Very high | 94.9 | Very high | 6 Ų | 6 | 40.2 Ų | 40.2 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.9 | -42.5 | 176.1 | -73 | 171.4 | 0 | 0 | 0 | 112.3 | L562 E614 T615 V618 A695 L696 F701 A702 I703 | L562-L699 HydrophobicContact CD2-CD2 3.86Å; E614-L699 HydrophobicContact CG-CD1 4.09Å; T615-L699 HydrophobicContact CG2-CB 4.33Å; V618-L699 HydrophobicContact CG2-CD1 3.85Å; A695-L699 WeakPolarHBondContact O-CB 3.46Å; A695-L699 WeakPolarHBondContact O-CG 3.26Å; A695-L699 PolarHBondContact O-N 3.06Å; L696-L699 PolarHBondContact O-N 2.85Å; L699-F701 VanDerWaalsContact C-N 3.34Å; L699-F701 PolarHBondContact O-N 3.02Å; L699-A702 WeakPolarHBondContact O-CB 3.43Å; L699-A702 PolarHBondContact O-N 3.47Å; L699-A702 VanDerWaalsContact O-N 3.13Å; L699-I703 PolarHBondContact O-N 3.12Å |
| 700 | C | 95.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.2 | -77.4 | 0 | 0 | 0 | 0 | 111.3 | L696 A702 I703 D704 Y770 V771 | L696-C700 VanDerWaalsContact CD1-SG 3.58Å; L696-C700 WeakPolarHBondContact O-CB 3.23Å; L696-C700 PolarHBondContact O-N 3.22Å; L696-C700 PolarHBondContact O-SG 2.98Å; C700-A702 VanDerWaalsContact C-N 3.29Å; C700-A702 PolarHBondContact O-N 2.64Å; C700-I703 PolarHBondContact O-N 3.02Å; C700-D704 WeakPolarHBondContact O-CB 3.34Å; C700-D704 PolarHBondContact O-N 3.22Å; C700-Y770 VanDerWaalsContact CB-CB 3.46Å; C700-Y770 HydrophobicContact CB-CG 4.31Å; C700-V771 HydrophobicContact CB-CG2 3.31Å; C700-V771 VanDerWaalsContact SG-CG2 3.56Å |
| 701 | F | 95.8 | Very high | 95.5 | Very high | 67 Ų | 67 | 41.1 Ų | 41.1 | 29% | 0.294 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -55.2 | -46.1 | 172.3 | 174.5 | -86.4 | 0 | 0 | 0 | 111.3 | R569 S697 E698 L699 I703 D704 Y705 | R569-F701 HydrophobicContact CB-CD1 3.74Å; R569-F701 HydrophobicContact CB-CE1 4.26Å; S697-F701 WeakPolarHBondContact O-CB 3.44Å; S697-F701 PolarHBondContact O-N 3.27Å; E698-F701 PolarHBondContact O-N 3.04Å; L699-F701 VanDerWaalsContact C-N 3.34Å; L699-F701 PolarHBondContact O-N 3.02Å; F701-I703 PolarHBondContact O-N 3.17Å; F701-D704 PolarHBondContact O-N 3.09Å; F701-Y705 AromaticContact CE1-CD2 3.68Å; F701-Y705 HydrophobicContact CE1-CD2 3.68Å; F701-Y705 HydrophobicContact CE1-CE2 4.27Å; F701-Y705 HydrophobicContact CE1-CG 4.38Å; F701-Y705 HydrophobicContact CE2-CD2 4.08Å; F701-Y705 AromaticContact CZ-CD2 3.4Å; F701-Y705 HydrophobicContact CZ-CD2 3.4Å; F701-Y705 VanDerWaalsContact CZ-CD2 3.4Å; F701-Y705 AromaticContact CZ-CE2 3.74Å; F701-Y705 HydrophobicContact CZ-CE2 3.74Å; F701-Y705 HydrophobicContact CZ-CG 4.48Å; F701-Y705 WeakPolarHBondContact O-CB 3.37Å; F701-Y705 PolarHBondContact O-N 3.27Å |
| 702 | A | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 38 Ų | 38 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -40.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113 | R569 V571 C572 M611 E698 L699 C700 | R569-A702 WeakPolarHBondContact O-CB 3.32Å; V571-A702 HydrophobicContact CG1-CB 3.68Å; C572-A702 HydrophobicContact CB-CB 4.15Å; C572-A702 WeakPolarHBondContact CB-O 3.3Å; M611-A702 HydrophobicContact CE-CB 4.29Å; E698-A702 PolarHBondContact O-N 2.81Å; E698-A702 VanDerWaalsContact O-N 3.08Å; L699-A702 WeakPolarHBondContact O-CB 3.43Å; L699-A702 PolarHBondContact O-N 3.47Å; L699-A702 VanDerWaalsContact O-N 3.13Å; C700-A702 VanDerWaalsContact C-N 3.29Å; C700-A702 PolarHBondContact O-N 2.64Å |
| 703 | I | 97.4 | Very high | 95.6 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.015 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68 | -37.9 | 177.5 | -70.8 | 174.2 | 0 | 0 | 0 | 111 | M611 T615 L699 C700 F701 P718 R719 L722 V771 | M611-I703 HydrophobicContact CE-CG1 4.08Å; T615-I703 HydrophobicContact CG2-CD1 4.03Å; T615-I703 WeakPolarHBondContact OG1-CD1 3.36Å; L699-I703 PolarHBondContact O-N 3.12Å; C700-I703 PolarHBondContact O-N 3.02Å; F701-I703 PolarHBondContact O-N 3.17Å; I703-P718 HydrophobicContact CG2-CB 4.28Å; I703-R719 HydrophobicContact CG2-CG 4.45Å; I703-L722 HydrophobicContact CD1-CB 4.28Å; I703-L722 HydrophobicContact CD1-CD1 4.25Å; I703-L722 HydrophobicContact CD1-CD2 3.98Å; I703-L722 HydrophobicContact CD1-CG 4.4Å; I703-L722 HydrophobicContact CG2-CB 4.43Å; I703-L722 HydrophobicContact CG2-CD2 4.27Å; I703-V771 HydrophobicContact CG2-CG1 4.26Å |
| 704 | D | 96.1 | Very high | 95.8 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.8 | -23.7 | -176.8 | -156 | 60.8 | 0 | 0 | 0 | 113.4 | C700 F701 Y706 R719 V771 Q772 | C700-D704 WeakPolarHBondContact O-CB 3.34Å; C700-D704 PolarHBondContact O-N 3.22Å; F701-D704 PolarHBondContact O-N 3.09Å; D704-Y706 PolarHBondContact O-N 3.25Å; D704-R719 IonicContact OD1-CZ 3.83Å; D704-R719 IonicContact OD1-NE 2.7Å; D704-R719 PolarHBondContact OD1-NE 2.67Å; D704-R719 IonicContact OD1-NH2 3.46Å; D704-R719 PolarHBondContact OD1-NH2 3.38Å; D704-R719 IonicContact OD2-NH2 2.79Å; D704-R719 PolarHBondContact OD2-NH2 2.68Å; D704-V771 HydrophobicContact CB-CG1 4.11Å; D704-V771 HydrophobicContact CB-CG2 4.5Å; D704-V771 WeakPolarHBondContact OD1-CG1 3.41Å; D704-Q772 PolarHBondContact OD1-N 3.32Å |
| 705 | Y | 96.7 | Very high | 96.1 | Very high | 66 Ų | 66 | 44 Ų | 44 | 26% | 0.259 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -58.4 | -45.2 | -169.6 | -166.9 | -95.4 | 0 | 0 | 0 | 113.7 | F414 E418 F701 P707 | F414-Y705 AromaticContact CE2-CD1 3.98Å; F414-Y705 HydrophobicContact CE2-CD1 3.98Å; F414-Y705 AromaticContact CE2-CE1 3.56Å; F414-Y705 HydrophobicContact CE2-CE1 3.56Å; F414-Y705 HydrophobicContact CE2-CE2 4.22Å; F414-Y705 HydrophobicContact CE2-CG 4.45Å; F414-Y705 AromaticContact CE2-CZ 3.71Å; F414-Y705 HydrophobicContact CZ-CD1 4.48Å; F414-Y705 HydrophobicContact CZ-CD2 4.49Å; F414-Y705 AromaticContact CZ-CE1 3.77Å; F414-Y705 HydrophobicContact CZ-CE1 3.77Å; F414-Y705 AromaticContact CZ-CE2 3.8Å; F414-Y705 HydrophobicContact CZ-CE2 3.8Å; F414-Y705 AromaticContact CZ-CZ 3.39Å; F414-Y705 WeakPolarHBondContact CZ-OH 3.47Å; E418-Y705 HydrophobicContact CG-CE1 4.33Å; E418-Y705 PolarHBondContact OE2-OH 3.29Å; E418-Y705 VanDerWaalsContact OE2-OH 3.05Å; F701-Y705 AromaticContact CE1-CD2 3.68Å; F701-Y705 HydrophobicContact CE1-CD2 3.68Å; F701-Y705 HydrophobicContact CE1-CE2 4.27Å; F701-Y705 HydrophobicContact CE1-CG 4.38Å; F701-Y705 HydrophobicContact CE2-CD2 4.08Å; F701-Y705 AromaticContact CZ-CD2 3.4Å; F701-Y705 HydrophobicContact CZ-CD2 3.4Å; F701-Y705 VanDerWaalsContact CZ-CD2 3.4Å; F701-Y705 AromaticContact CZ-CE2 3.74Å; F701-Y705 HydrophobicContact CZ-CE2 3.74Å; F701-Y705 HydrophobicContact CZ-CG 4.48Å; F701-Y705 WeakPolarHBondContact O-CB 3.37Å; F701-Y705 PolarHBondContact O-N 3.27Å; Y705-P707 WeakPolarHBondContact O-CD 3.24Å |
| 706 | Y | 95.7 | Very high | 96.3 | Very high | 24 Ų | 24 | 44 Ų | 44 | 9% | 0.094 | 23% | 0.227 | C | C | . | . | trans | -106.2 | 106.7 | 174.2 | -60.4 | -67 | 0 | 0 | 0 | 109.4 | E418 C572 M576 D704 Q708 P718 | E418-Y706 WeakPolarHBondContact OE1-CE1 3.46Å; E418-Y706 PolarHBondContact OE1-OH 3.07Å; C572-Y706 HydrophobicContact CB-CD2 3.82Å; C572-Y706 HydrophobicContact CB-CE2 3.78Å; C572-Y706 WeakPolarHBondContact O-CE2 3.5Å; M576-Y706 HydrophobicContact CB-CE2 4.29Å; M576-Y706 HydrophobicContact CE-CD1 4.07Å; M576-Y706 HydrophobicContact CE-CE1 3.97Å; M576-Y706 HydrophobicContact CG-CD1 4.01Å; M576-Y706 HydrophobicContact CG-CD2 3.39Å; M576-Y706 HydrophobicContact CG-CE1 3.83Å; M576-Y706 HydrophobicContact CG-CE2 3.22Å; M576-Y706 HydrophobicContact CG-CG 3.8Å; M576-Y706 VanDerWaalsContact CG-CZ 3.44Å; M576-Y706 HydrophobicContact SD-CD1 3.87Å; M576-Y706 HydrophobicContact SD-CD2 4.02Å; M576-Y706 HydrophobicContact SD-CE1 4.13Å; M576-Y706 HydrophobicContact SD-CE2 4.31Å; M576-Y706 HydrophobicContact SD-CG 3.81Å; D704-Y706 PolarHBondContact O-N 3.25Å; Y706-Q708 PolarHBondContact O-N 2.97Å; Y706-P718 WeakPolarHBondContact O-CG 3.36Å | ||
| 707 | P | 95.5 | Very high | 96.4 | Very high | 85 Ų | 85 | 45.8 Ų | 45.8 | 55% | 0.552 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -59.2 | -34.5 | 176.6 | -24.7 | 34 | 0 | 0 | 0 | 112.2 | Y705 | Y705-P707 WeakPolarHBondContact O-CD 3.24Š|
| 708 | Q | 96.3 | Very high | 96.6 | Very high | 120 Ų | 120 | 44.7 Ų | 44.7 | 56% | 0.561 | 23% | 0.234 | S | C | * | . | trans | -141.8 | 143.7 | 176.3 | 64 | -177 | -0.7 | 0 | 0 | 111 | Y706 T715 F716 | Y706-Q708 PolarHBondContact O-N 2.97Å; Q708-T715 HydrophobicContact CB-CG2 3.8Å; Q708-F716 CarbonylContact C-O 3.55Å; Q708-F716 VanDerWaalsContact CA-O 3.28Å; Q708-F716 WeakPolarHBondContact CA-O 3.49Å | ||
| 709 | V | 97.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 113.7 | 172.1 | -178.6 | 0 | 0 | 0 | 0 | 107.4 | P575 M576 V711 F716 P718 | P575-V709 HydrophobicContact CB-CG1 4.43Å; P575-V709 HydrophobicContact CB-CG2 4.46Å; M576-V709 HydrophobicContact CG-CG2 4.5Å; M576-V709 HydrophobicContact SD-CB 4.01Å; M576-V709 HydrophobicContact SD-CG1 3.66Å; M576-V709 HydrophobicContact SD-CG2 3.7Å; V709-V711 HydrophobicContact CG1-CG2 3.84Å; V709-F716 HydrophobicContact CB-CB 4.25Å; V709-F716 PolarHBondContact N-O 3.35Å; V709-F716 WeakPolarHBondContact O-CD2 3.43Å; V709-F716 PolarHBondContact O-N 2.78Å; V709-P718 HydrophobicContact CG2-CG 4.1Å |
| 710 | V | 97.1 | Very high | 96.7 | Very high | 70 Ų | 70 | 51.3 Ų | 51.3 | 42% | 0.424 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 117.9 | 179.1 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | S579 H714 T715 | S579-V710 VanDerWaalsContact CB-O 3.23Å; S579-V710 WeakPolarHBondContact CB-O 3.2Å; V710-H714 WeakPolarHBondContact CA-O 3.35Å; V710-T715 HydrophobicContact CG2-CG2 4.4Å |
| 711 | V | 97.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 107.4 | 179.2 | -176.4 | 0 | 0 | 0 | 0 | 106.5 | C578 L601 C604 V709 D713 H714 F716 | C578-V711 HydrophobicContact CB-CG1 4.22Å; C578-V711 HydrophobicContact CB-CG2 4.22Å; L601-V711 HydrophobicContact CD2-CB 4.31Å; L601-V711 HydrophobicContact CD2-CG1 4.12Å; C604-V711 HydrophobicContact CB-CG2 4.34Å; V709-V711 HydrophobicContact CG1-CG2 3.84Å; V711-D713 PolarHBondContact O-N 2.83Å; V711-H714 PolarHBondContact N-O 3.04Å; V711-H714 PolarHBondContact O-N 2.71Å; V711-F716 HydrophobicContact CB-CD2 4.43Å; V711-F716 HydrophobicContact CB-CE2 4.01Å; V711-F716 HydrophobicContact CG2-CD2 4.28Å; V711-F716 HydrophobicContact CG2-CE2 4.24Å |
| 712 | W | 95.1 | Very high | 96.8 | Very high | 61 Ų | 61 | 50.2 Ų | 50.2 | 23% | 0.231 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | -121.7 | -170.7 | -56.3 | 79.9 | 0 | 0 | 0 | 111.9 | A582 L585 R593 I596 S600 | A582-W712 HydrophobicContact CB-CD2 4.4Å; A582-W712 HydrophobicContact CB-CH2 4.21Å; A582-W712 HydrophobicContact CB-CZ2 3.93Å; A582-W712 HydrophobicContact CB-CZ3 4.45Å; L585-W712 HydrophobicContact CD1-CH2 3.36Å; L585-W712 HydrophobicContact CD1-CZ2 4.2Å; L585-W712 HydrophobicContact CD1-CZ3 3.95Å; L585-W712 HydrophobicContact CG-CH2 4.42Å; R593-W712 HydrophobicContact CG-CH2 3.97Å; R593-W712 HydrophobicContact CG-CZ3 4.06Å; I596-W712 HydrophobicContact CG2-CZ2 4.17Å; S600-W712 PolarHBondContact OG-NE1 3.39Å |
| 713 | D | 93.8 | Very high | 96.8 | Very high | 132 Ų | 132 | 51.8 Ų | 51.8 | 71% | 0.706 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.4 | 176.3 | 58.5 | -26.4 | 0 | 0 | 0 | 113.2 | V711 | V711-D713 PolarHBondContact O-N 2.83Š|
| 714 | H | 97.4 | Very high | 96.7 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 40% | 0.398 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 139.2 | -178.8 | -65 | 66.4 | 0 | 0 | 0 | 111.2 | L601 V710 V711 F716 | L601-H714 HydrophobicContact CD2-CB 3.66Å; V710-H714 WeakPolarHBondContact CA-O 3.35Å; V711-H714 PolarHBondContact N-O 3.04Å; V711-H714 PolarHBondContact O-N 2.71Å; H714-F716 HydrophobicContact CB-CD2 4.47Å; H714-F716 HydrophobicContact CB-CE2 3.74Å; H714-F716 HydrophobicContact CB-CZ 4.23Å |
| 715 | T | 98.1 | Very high | 96.8 | Very high | 90 Ų | 90 | 56.7 Ų | 56.7 | 55% | 0.552 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.2 | 174 | -58.1 | 0 | 0 | 0 | 0 | 109.3 | Q708 V710 | Q708-T715 HydrophobicContact CB-CG2 3.8Å; V710-T715 HydrophobicContact CG2-CG2 4.4Å |
| 716 | F | 98.4 | Very high | 96.8 | Very high | 18 Ų | 18 | 53.7 Ų | 53.7 | 8% | 0.079 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 136.1 | 178 | -62.2 | -97 | 0 | 0 | 0 | 109.6 | L601 C604 T605 L608 Q708 V709 V711 H714 P718 Y721 | L601-F716 HydrophobicContact CD2-CE2 3.91Å; L601-F716 HydrophobicContact CD2-CZ 3.91Å; C604-F716 HydrophobicContact CB-CE2 4.34Å; C604-F716 HydrophobicContact CB-CZ 4.28Å; T605-F716 WeakPolarHBondContact OG1-CE1 3.47Å; L608-F716 HydrophobicContact CD1-CB 3.6Å; L608-F716 HydrophobicContact CD1-CD1 4.03Å; L608-F716 HydrophobicContact CD1-CG 4.05Å; Q708-F716 CarbonylContact C-O 3.55Å; Q708-F716 VanDerWaalsContact CA-O 3.28Å; Q708-F716 WeakPolarHBondContact CA-O 3.49Å; V709-F716 HydrophobicContact CB-CB 4.25Å; V709-F716 PolarHBondContact N-O 3.35Å; V709-F716 WeakPolarHBondContact O-CD2 3.43Å; V709-F716 PolarHBondContact O-N 2.78Å; V711-F716 HydrophobicContact CB-CD2 4.43Å; V711-F716 HydrophobicContact CB-CE2 4.01Å; V711-F716 HydrophobicContact CG2-CD2 4.28Å; V711-F716 HydrophobicContact CG2-CE2 4.24Å; H714-F716 HydrophobicContact CB-CD2 4.47Å; H714-F716 HydrophobicContact CB-CE2 3.74Å; H714-F716 HydrophobicContact CB-CZ 4.23Å; F716-P718 WeakPolarHBondContact O-CD 3.42Å; F716-Y721 HydrophobicContact CD1-CE2 4.49Å; F716-Y721 WeakPolarHBondContact CD1-OH 3.01Å |
| 717 | A | 97.4 | Very high | 96.9 | Very high | 41 Ų | 41 | 53.2 Ų | 53.2 | 34% | 0.339 | 28% | 0.277 | S | S | . | . | trans | -111.5 | 98.6 | 176 | 0 | 0 | 0 | 0 | 0 | 109.6 | R719 E720 Y721 | A717-R719 PolarHBondContact O-N 3.02Å; A717-R719 VanDerWaalsContact O-N 3.12Å; A717-E720 HydrophobicContact CB-CB 4.47Å; A717-E720 HydrophobicContact CB-CG 3.9Å; A717-E720 PolarHBondContact O-N 3.26Å; A717-E720 VanDerWaalsContact O-N 3.1Å; A717-Y721 WeakPolarHBondContact O-CD2 3.11Å | ||
| 718 | P | 97.9 | Very high | 96.9 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -54.7 | -33.9 | -174.3 | -29.5 | 37.3 | 0 | 0 | 0 | 114.5 | L608 I703 Y706 V709 F716 E720 Y721 | L608-P718 HydrophobicContact CD2-CB 3.91Å; L608-P718 HydrophobicContact CD2-CG 3.8Å; I703-P718 HydrophobicContact CG2-CB 4.28Å; Y706-P718 WeakPolarHBondContact O-CG 3.36Å; V709-P718 HydrophobicContact CG2-CG 4.1Å; F716-P718 WeakPolarHBondContact O-CD 3.42Å; P718-E720 VanDerWaalsContact C-N 3.32Å; P718-E720 PolarHBondContact O-N 3.12Å; P718-Y721 PolarHBondContact O-N 3.18Å |
| 719 | R | 97.2 | Very high | 96.9 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 18% | 0.177 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.9 | -36.9 | 179.2 | -65.1 | 177.2 | -179.1 | 172 | 0.8 | 113.2 | I703 D704 A717 Y721 L722 I723 V771 Q772 I773 | I703-R719 HydrophobicContact CG2-CG 4.45Å; D704-R719 IonicContact OD1-CZ 3.83Å; D704-R719 IonicContact OD1-NE 2.7Å; D704-R719 PolarHBondContact OD1-NE 2.67Å; D704-R719 IonicContact OD1-NH2 3.46Å; D704-R719 PolarHBondContact OD1-NH2 3.38Å; D704-R719 IonicContact OD2-NH2 2.79Å; D704-R719 PolarHBondContact OD2-NH2 2.68Å; A717-R719 PolarHBondContact O-N 3.02Å; A717-R719 VanDerWaalsContact O-N 3.12Å; R719-Y721 VanDerWaalsContact C-N 3.34Å; R719-Y721 PolarHBondContact O-N 2.84Å; R719-L722 WeakPolarHBondContact O-CB 3.41Å; R719-L722 PolarHBondContact O-N 2.73Å; R719-I723 WeakPolarHBondContact O-CG1 3.17Å; R719-I723 PolarHBondContact O-N 2.93Å; R719-V771 HydrophobicContact CG-CG1 4.05Å; R719-Q772 WeakPolarHBondContact CD-O 3.38Å; R719-Q772 VanDerWaalsContact NH1-OE1 3.07Å; R719-I773 HydrophobicContact CB-CG2 4.03Å; R719-I773 HydrophobicContact CG-CG2 4.41Å |
| 720 | E | 96.1 | Very high | 96.9 | Very high | 115 Ų | 115 | 50.8 Ų | 50.8 | 54% | 0.537 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.1 | -36 | -178.9 | -64.7 | -55.4 | 134.1 | 0 | 0 | 112.2 | A717 P718 L722 I723 Q724 | A717-E720 HydrophobicContact CB-CB 4.47Å; A717-E720 HydrophobicContact CB-CG 3.9Å; A717-E720 PolarHBondContact O-N 3.26Å; A717-E720 VanDerWaalsContact O-N 3.1Å; P718-E720 VanDerWaalsContact C-N 3.32Å; P718-E720 PolarHBondContact O-N 3.12Å; E720-L722 VanDerWaalsContact C-N 3.3Å; E720-L722 PolarHBondContact O-N 2.92Å; E720-I723 PolarHBondContact O-N 3.15Å; E720-Q724 WeakPolarHBondContact O-CB 3.43Å; E720-Q724 PolarHBondContact O-N 3.04Å |
| 721 | Y | 98 | Very high | 96.8 | Very high | 45 Ų | 45 | 47.9 Ų | 47.9 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -43.6 | 173.2 | -71.8 | -98.3 | 0 | 0 | 0 | 110.7 | T605 L608 D609 F716 A717 P718 R719 H725 | T605-Y721 HydrophobicContact CG2-CE1 4.33Å; L608-Y721 HydrophobicContact CB-CD1 4.26Å; L608-Y721 HydrophobicContact CB-CD2 4.14Å; L608-Y721 HydrophobicContact CB-CE1 4.27Å; L608-Y721 HydrophobicContact CB-CE2 4.16Å; L608-Y721 HydrophobicContact CB-CG 4.2Å; L608-Y721 HydrophobicContact CD1-CD2 4.41Å; L608-Y721 HydrophobicContact CD1-CE2 3.94Å; D609-Y721 HydrophobicContact CB-CD1 4.32Å; F716-Y721 HydrophobicContact CD1-CE2 4.49Å; F716-Y721 WeakPolarHBondContact CD1-OH 3.01Å; A717-Y721 WeakPolarHBondContact O-CD2 3.11Å; P718-Y721 PolarHBondContact O-N 3.18Å; R719-Y721 VanDerWaalsContact C-N 3.34Å; R719-Y721 PolarHBondContact O-N 2.84Å; Y721-H725 WeakPolarHBondContact O-CB 3.47Å; Y721-H725 PolarHBondContact O-CD2 2.94Å; Y721-H725 PolarHBondContact O-N 3.04Å; Y721-H725 VanDerWaalsContact O-N 3.14Å |
| 722 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.4 | -49.6 | 178.3 | -178.8 | 60.8 | 0 | 0 | 0 | 111.7 | T615 I703 R719 E720 Q724 H725 L726 V771 I773 | T615-L722 HydrophobicContact CG2-CD1 3.69Å; T615-L722 HydrophobicContact CG2-CD2 4.27Å; I703-L722 HydrophobicContact CD1-CB 4.28Å; I703-L722 HydrophobicContact CD1-CD1 4.25Å; I703-L722 HydrophobicContact CD1-CD2 3.98Å; I703-L722 HydrophobicContact CD1-CG 4.4Å; I703-L722 HydrophobicContact CG2-CB 4.43Å; I703-L722 HydrophobicContact CG2-CD2 4.27Å; R719-L722 WeakPolarHBondContact O-CB 3.41Å; R719-L722 PolarHBondContact O-N 2.73Å; E720-L722 VanDerWaalsContact C-N 3.3Å; E720-L722 PolarHBondContact O-N 2.92Å; L722-Q724 VanDerWaalsContact C-N 3.3Å; L722-Q724 PolarHBondContact O-N 3.14Å; L722-H725 PolarHBondContact O-N 2.94Å; L722-L726 HydrophobicContact CD1-CD1 4.06Å; L722-L726 HydrophobicContact CD1-CD2 4.37Å; L722-L726 HydrophobicContact CD1-CG 3.95Å; L722-L726 HydrophobicContact CD2-CD1 4.48Å; L722-L726 HydrophobicContact CG-CD1 3.89Å; L722-L726 HydrophobicContact CG-CG 4.2Å; L722-L726 WeakPolarHBondContact O-CB 3.25Å; L722-L726 WeakPolarHBondContact O-CG 3.45Å; L722-L726 PolarHBondContact O-N 3.28Å; L722-V771 HydrophobicContact CD2-CG2 4.48Å; L722-I773 HydrophobicContact CD2-CD1 4.28Å |
| 723 | I | 96.6 | Very high | 96.8 | Very high | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.185 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.4 | -46.1 | -179.9 | -68.1 | 169.6 | 0 | 0 | 0 | 110.7 | R719 E720 H725 L726 G727 I773 | R719-I723 WeakPolarHBondContact O-CG1 3.17Å; R719-I723 PolarHBondContact O-N 2.93Å; E720-I723 PolarHBondContact O-N 3.15Å; I723-H725 PolarHBondContact O-N 3.49Å; I723-L726 PolarHBondContact O-N 2.7Å; I723-G727 PolarHBondContact O-N 3.03Å; I723-I773 HydrophobicContact CD1-CB 3.77Å; I723-I773 HydrophobicContact CD1-CG2 3.74Å; I723-I773 HydrophobicContact CG1-CB 3.72Å; I723-I773 HydrophobicContact CG1-CG2 3.66Å |
| 724 | Q | 95.9 | Very high | 96.8 | Very high | 125 Ų | 125 | 45.5 Ų | 45.5 | 58% | 0.584 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -61 | -45.3 | 178.7 | -173.3 | 180 | 2.9 | 0 | 0 | 112 | E720 L722 G727 I728 | E720-Q724 WeakPolarHBondContact O-CB 3.43Å; E720-Q724 PolarHBondContact O-N 3.04Å; L722-Q724 VanDerWaalsContact C-N 3.3Å; L722-Q724 PolarHBondContact O-N 3.14Å; Q724-G727 PolarHBondContact O-N 3.17Å; Q724-I728 HydrophobicContact CG-CD1 4.16Å; Q724-I728 WeakPolarHBondContact O-CG1 3.31Å; Q724-I728 PolarHBondContact O-N 3.45Å; Q724-I728 VanDerWaalsContact O-N 3.08Å |
| 725 | H | 97.6 | Very high | 96.8 | Very high | 20 Ų | 20 | 43.1 Ų | 43.1 | 9% | 0.093 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.6 | -39.4 | 179.1 | -90.9 | -64.2 | 0 | 0 | 0 | 113.1 | D609 K613 R616 Y721 L722 I723 R729 | D609-H725 IonicContact OD1-CD2 3.22Å; D609-H725 IonicContact OD1-CE1 2.89Å; D609-H725 IonicContact OD1-NE2 3.22Å; D609-H725 PolarHBondContact OD1-NE2 3.08Å; K613-H725 VanDerWaalsContact CG-CE1 3.44Å; K613-H725 WeakPolarHBondContact CG-CE1 3.26Å; R616-H725 HydrophobicContact CB-CB 4.16Å; R616-H725 WeakPolarHBondContact CD-O 3.27Å; R616-H725 HydrophobicContact CG-CB 4.27Å; R616-H725 PolarHBondContact NH1-ND1 3.39Å; R616-H725 VanDerWaalsContact NH1-ND1 3.19Å; Y721-H725 WeakPolarHBondContact O-CB 3.47Å; Y721-H725 PolarHBondContact O-CD2 2.94Å; Y721-H725 PolarHBondContact O-N 3.04Å; Y721-H725 VanDerWaalsContact O-N 3.14Å; L722-H725 PolarHBondContact O-N 2.94Å; I723-H725 PolarHBondContact O-N 3.49Å; H725-R729 WeakPolarHBondContact O-CB 3.44Å; H725-R729 PolarHBondContact O-N 3.21Å; H725-R729 VanDerWaalsContact O-N 3.12Å |
| 726 | L | 97.4 | Very high | 96.6 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.9 | -44.3 | 174.4 | -69.2 | 178.9 | 0 | 0 | 0 | 111.1 | R616 V619 L722 I723 R729 F730 L764 I767 I773 I775 L778 | R616-L726 HydrophobicContact CB-CD2 4.28Å; R616-L726 HydrophobicContact CG-CD2 4.32Å; V619-L726 HydrophobicContact CB-CD2 4.09Å; V619-L726 HydrophobicContact CG1-CD2 3.88Å; V619-L726 HydrophobicContact CG2-CD2 4.17Å; L722-L726 HydrophobicContact CD1-CD1 4.06Å; L722-L726 HydrophobicContact CD1-CD2 4.37Å; L722-L726 HydrophobicContact CD1-CG 3.95Å; L722-L726 HydrophobicContact CD2-CD1 4.48Å; L722-L726 HydrophobicContact CG-CD1 3.89Å; L722-L726 HydrophobicContact CG-CG 4.2Å; L722-L726 WeakPolarHBondContact O-CB 3.25Å; L722-L726 WeakPolarHBondContact O-CG 3.45Å; L722-L726 PolarHBondContact O-N 3.28Å; I723-L726 PolarHBondContact O-N 2.7Å; L726-R729 PolarHBondContact O-N 2.77Å; L726-F730 WeakPolarHBondContact O-CB 3.42Å; L726-F730 PolarHBondContact O-N 3.48Å; L726-L764 HydrophobicContact CD1-CD2 4.47Å; L726-L764 HydrophobicContact CD2-CD2 4.14Å; L726-I767 HydrophobicContact CD1-CD1 3.94Å; L726-I767 HydrophobicContact CD2-CD1 4.44Å; L726-I773 HydrophobicContact CD1-CD1 4.02Å; L726-I775 HydrophobicContact CD1-CD1 4.47Å; L726-L778 HydrophobicContact CB-CD1 3.7Å |
| 727 | G | 96.4 | Very high | 96.5 | Very high | 14 Ų | 14 | 42.8 Ų | 42.8 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.9 | -48.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I723 Q724 R729 F730 N731 | I723-G727 PolarHBondContact O-N 3.03Å; Q724-G727 PolarHBondContact O-N 3.17Å; G727-R729 VanDerWaalsContact C-N 3.32Å; G727-R729 PolarHBondContact O-N 3.47Å; G727-F730 PolarHBondContact O-N 2.8Å; G727-N731 WeakPolarHBondContact O-CB 3.39Å; G727-N731 PolarHBondContact O-N 3.34Å |
| 728 | I | 96 | Very high | 96.3 | Very high | 50 Ų | 50 | 41 Ų | 41 | 26% | 0.256 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 176.7 | -67.1 | 167.4 | 0 | 0 | 0 | 110.9 | Q724 K732 | Q724-I728 HydrophobicContact CG-CD1 4.16Å; Q724-I728 WeakPolarHBondContact O-CG1 3.31Å; Q724-I728 PolarHBondContact O-N 3.45Å; Q724-I728 VanDerWaalsContact O-N 3.08Å; I728-K732 PolarHBondContact O-N 2.75Å |
| 729 | R | 96.2 | Very high | 96 | Very high | 106 Ų | 106 | 46.4 Ų | 46.4 | 40% | 0.4 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.9 | -46.3 | 179.3 | -177 | 55.1 | 170 | 154.7 | -1.9 | 111.5 | R616 A620 H725 L726 G727 N731 K732 T733 | R616-R729 HydrophobicContact CG-CB 3.88Å; R616-R729 HydrophobicContact CG-CG 4.16Å; A620-R729 HydrophobicContact CB-CG 4.48Å; H725-R729 WeakPolarHBondContact O-CB 3.44Å; H725-R729 PolarHBondContact O-N 3.21Å; H725-R729 VanDerWaalsContact O-N 3.12Å; L726-R729 PolarHBondContact O-N 2.77Å; G727-R729 VanDerWaalsContact C-N 3.32Å; G727-R729 PolarHBondContact O-N 3.47Å; R729-N731 PolarHBondContact O-N 2.92Å; R729-K732 PolarHBondContact O-N 3.01Å; R729-T733 WeakPolarHBondContact O-CB 3.48Å; R729-T733 PolarHBondContact O-N 2.82Å; R729-T733 PolarHBondContact O-OG1 3.28Å; R729-T733 VanDerWaalsContact O-OG1 3.11Å |
| 730 | F | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.6 | -45.6 | -179.8 | -175.7 | -140.4 | 0 | 0 | 0 | 111.1 | L726 G727 K732 T733 I734 V757 Y760 M761 L764 L778 F779 V782 L783 | L726-F730 WeakPolarHBondContact O-CB 3.42Å; L726-F730 PolarHBondContact O-N 3.48Å; G727-F730 PolarHBondContact O-N 2.8Å; F730-K732 PolarHBondContact O-N 3Å; F730-T733 PolarHBondContact O-N 3.19Å; F730-T733 VanDerWaalsContact O-N 3.17Å; F730-I734 HydrophobicContact CD1-CD1 4.17Å; F730-I734 HydrophobicContact CD2-CD1 3.97Å; F730-I734 HydrophobicContact CD2-CG1 3.93Å; F730-I734 HydrophobicContact CE1-CD1 3.87Å; F730-I734 HydrophobicContact CE2-CD1 3.67Å; F730-I734 HydrophobicContact CE2-CG1 3.68Å; F730-I734 HydrophobicContact CG-CD1 4.21Å; F730-I734 HydrophobicContact CZ-CD1 3.63Å; F730-I734 HydrophobicContact CZ-CG1 4.14Å; F730-I734 WeakPolarHBondContact O-CG1 3.43Å; F730-I734 PolarHBondContact O-N 3.27Å; F730-V757 HydrophobicContact CZ-CG1 4.49Å; F730-Y760 HydrophobicContact CB-CE1 4.31Å; F730-Y760 AromaticContact CD2-CD1 3.38Å; F730-Y760 HydrophobicContact CD2-CD1 3.38Å; F730-Y760 AromaticContact CD2-CE1 3.59Å; F730-Y760 HydrophobicContact CD2-CE1 3.59Å; F730-Y760 HydrophobicContact CD2-CG 4.19Å; F730-Y760 AromaticContact CE2-CD1 3.64Å; F730-Y760 HydrophobicContact CE2-CD1 3.64Å; F730-Y760 HydrophobicContact CE2-CE1 4.32Å; F730-Y760 HydrophobicContact CE2-CG 4.19Å; F730-Y760 HydrophobicContact CG-CD1 4.36Å; F730-Y760 HydrophobicContact CG-CE1 4.28Å; F730-M761 HydrophobicContact CE2-CG 4.35Å; F730-M761 HydrophobicContact CZ-CG 3.7Å; F730-M761 HydrophobicContact CZ-SD 4.47Å; F730-L764 HydrophobicContact CB-CD1 4.31Å; F730-L764 HydrophobicContact CD1-CD1 4.28Å; F730-L764 HydrophobicContact CD2-CD1 4.19Å; F730-L764 HydrophobicContact CG-CD1 4.02Å; F730-L778 HydrophobicContact CD1-CD2 3.72Å; F730-L778 HydrophobicContact CE1-CD2 4.4Å; F730-L778 HydrophobicContact CG-CD2 4.48Å; F730-F779 HydrophobicContact CD1-CD1 4.34Å; F730-F779 AromaticContact CE1-CD1 3.72Å; F730-F779 HydrophobicContact CE1-CD1 3.72Å; F730-F779 HydrophobicContact CE1-CE1 4.18Å; F730-F779 HydrophobicContact CZ-CD1 4.34Å; F730-F779 HydrophobicContact CZ-CE1 4.49Å; F730-V782 HydrophobicContact CB-CG1 4.48Å; F730-V782 HydrophobicContact CD1-CB 3.73Å; F730-V782 HydrophobicContact CD1-CG1 3.54Å; F730-V782 HydrophobicContact CD1-CG2 4.03Å; F730-V782 HydrophobicContact CE1-CB 4.16Å; F730-V782 HydrophobicContact CE1-CG1 4.01Å; F730-V782 HydrophobicContact CG-CG1 4.14Å; F730-L783 HydrophobicContact CE1-CD2 4.19Å; F730-L783 HydrophobicContact CE1-CG 4.27Å; F730-L783 HydrophobicContact CZ-CD2 4.09Å |
| 731 | N | 95.9 | Very high | 95.7 | Very high | 8 Ų | 8 | 43.7 Ų | 43.7 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.3 | -50.6 | 176.5 | -170.8 | 51.1 | 0 | 0 | 0 | 112.2 | G727 R729 T733 I734 V735 V782 Q786 D791 | G727-N731 WeakPolarHBondContact O-CB 3.39Å; G727-N731 PolarHBondContact O-N 3.34Å; R729-N731 PolarHBondContact O-N 2.92Å; N731-T733 PolarHBondContact O-N 3.45Å; N731-I734 PolarHBondContact O-N 2.79Å; N731-V735 PolarHBondContact O-N 3.28Å; N731-V782 HydrophobicContact CB-CG1 3.89Å; N731-Q786 PolarHBondContact OD1-NE2 3.22Å; N731-D791 PolarHBondContact ND2-OD2 3.49Å |
| 732 | K | 95.7 | Very high | 95.2 | Very high | 125 Ų | 125 | 48 Ų | 48 | 54% | 0.543 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.9 | -36.7 | 177.9 | -70.4 | -174.8 | 177.2 | -174.5 | 0 | 112.9 | I728 R729 F730 A736 | I728-K732 PolarHBondContact O-N 2.75Å; R729-K732 PolarHBondContact O-N 3.01Å; F730-K732 PolarHBondContact O-N 3Å; K732-A736 WeakPolarHBondContact O-CB 3.4Å; K732-A736 PolarHBondContact O-N 3.46Å |
| 733 | T | 95.5 | Very high | 94.8 | Very high | 17 Ų | 17 | 56.6 Ų | 56.6 | 10% | 0.104 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.4 | -42.6 | 179.7 | -71.2 | 0 | 0 | 0 | 0 | 111.6 | R729 F730 N731 V735 A736 L737 Y760 | R729-T733 WeakPolarHBondContact O-CB 3.48Å; R729-T733 PolarHBondContact O-N 2.82Å; R729-T733 PolarHBondContact O-OG1 3.28Å; R729-T733 VanDerWaalsContact O-OG1 3.11Å; F730-T733 PolarHBondContact O-N 3.19Å; F730-T733 VanDerWaalsContact O-N 3.17Å; N731-T733 PolarHBondContact O-N 3.45Å; T733-V735 VanDerWaalsContact C-N 3.31Å; T733-V735 PolarHBondContact O-N 3.17Å; T733-A736 PolarHBondContact O-N 3.03Å; T733-A736 VanDerWaalsContact O-N 3.17Å; T733-L737 HydrophobicContact CG2-CD1 3.81Å; T733-L737 HydrophobicContact CG2-CG 4.05Å; T733-L737 WeakPolarHBondContact O-CB 3.4Å; T733-L737 VanDerWaalsContact O-CG 3.26Å; T733-L737 WeakPolarHBondContact O-CG 3.47Å; T733-L737 PolarHBondContact O-N 3.22Å; T733-Y760 HydrophobicContact CG2-CD2 3.85Å; T733-Y760 HydrophobicContact CG2-CE2 3.61Å |
| 734 | I | 95.5 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -56.8 | -47.2 | 177.3 | -67.8 | 166.9 | 0 | 0 | 0 | 110.8 | F730 N731 L737 V757 V782 L783 Q786 L798 | F730-I734 HydrophobicContact CD1-CD1 4.17Å; F730-I734 HydrophobicContact CD2-CD1 3.97Å; F730-I734 HydrophobicContact CD2-CG1 3.93Å; F730-I734 HydrophobicContact CE1-CD1 3.87Å; F730-I734 HydrophobicContact CE2-CD1 3.67Å; F730-I734 HydrophobicContact CE2-CG1 3.68Å; F730-I734 HydrophobicContact CG-CD1 4.21Å; F730-I734 HydrophobicContact CZ-CD1 3.63Å; F730-I734 HydrophobicContact CZ-CG1 4.14Å; F730-I734 WeakPolarHBondContact O-CG1 3.43Å; F730-I734 PolarHBondContact O-N 3.27Å; N731-I734 PolarHBondContact O-N 2.79Å; I734-L737 PolarHBondContact O-N 3.43Å; I734-V757 HydrophobicContact CG1-CG2 4.35Å; I734-V757 HydrophobicContact CG2-CG2 4.42Å; I734-V782 HydrophobicContact CD1-CG1 3.69Å; I734-L783 HydrophobicContact CD1-CD2 3.77Å; I734-Q786 HydrophobicContact CD1-CG 4.24Å; I734-Q786 HydrophobicContact CG2-CG 4.01Å; I734-L798 HydrophobicContact CG2-CD1 3.56Å; I734-L798 HydrophobicContact CG2-CD2 3.71Å; I734-L798 HydrophobicContact CG2-CG 3.65Å |
| 735 | V | 95.6 | Very high | 94.2 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 177.9 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | N731 T733 L737 T738 E796 I801 | N731-V735 PolarHBondContact O-N 3.28Å; T733-V735 VanDerWaalsContact C-N 3.31Å; T733-V735 PolarHBondContact O-N 3.17Å; V735-L737 VanDerWaalsContact C-N 3.32Å; V735-L737 PolarHBondContact O-N 3.15Å; V735-T738 WeakPolarHBondContact O-CB 3.49Å; V735-T738 WeakPolarHBondContact O-CG2 3.32Å; V735-T738 PolarHBondContact O-N 3.02Å; V735-T738 PolarHBondContact O-OG1 3.42Å; V735-E796 WeakPolarHBondContact CG2-O 3.26Å; V735-I801 HydrophobicContact CG1-CD1 3.82Å |
| 736 | A | 94.8 | Very high | 93.9 | Very high | 70 Ų | 70 | 58.9 Ų | 58.9 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.4 | -34.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | K732 T733 T738 M739 | K732-A736 WeakPolarHBondContact O-CB 3.4Å; K732-A736 PolarHBondContact O-N 3.46Å; T733-A736 PolarHBondContact O-N 3.03Å; T733-A736 VanDerWaalsContact O-N 3.17Å; A736-T738 PolarHBondContact O-N 3.07Å; A736-M739 PolarHBondContact O-N 2.83Å |
| 737 | L | 95.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 59.5 Ų | 59.5 | 16% | 0.157 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -66.2 | -14.6 | 177.4 | -74 | 169.9 | 0 | 0 | 0 | 113.1 | T733 I734 V735 M739 L753 V757 | T733-L737 HydrophobicContact CG2-CD1 3.81Å; T733-L737 HydrophobicContact CG2-CG 4.05Å; T733-L737 WeakPolarHBondContact O-CB 3.4Å; T733-L737 VanDerWaalsContact O-CG 3.26Å; T733-L737 WeakPolarHBondContact O-CG 3.47Å; T733-L737 PolarHBondContact O-N 3.22Å; I734-L737 PolarHBondContact O-N 3.43Å; V735-L737 VanDerWaalsContact C-N 3.32Å; V735-L737 PolarHBondContact O-N 3.15Å; L737-M739 PolarHBondContact O-N 3.35Å; L737-L753 HydrophobicContact CB-CD1 3.43Å; L737-L753 VanDerWaalsContact CB-CD1 3.43Å; L737-V757 HydrophobicContact CD1-CG2 4.49Å |
| 738 | T | 94.6 | Very high | 93.8 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.031 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.3 | 170.4 | 65.3 | 0 | 0 | 0 | 0 | 112.7 | V735 A736 Y740 I747 A748 L753 L798 I801 Y802 | V735-T738 WeakPolarHBondContact O-CB 3.49Å; V735-T738 WeakPolarHBondContact O-CG2 3.32Å; V735-T738 PolarHBondContact O-N 3.02Å; V735-T738 PolarHBondContact O-OG1 3.42Å; A736-T738 PolarHBondContact O-N 3.07Å; T738-Y740 PolarHBondContact O-N 2.96Å; T738-Y740 PolarHBondContact OG1-N 3.22Å; T738-I747 WeakPolarHBondContact O-CG1 3.25Å; T738-A748 WeakPolarHBondContact O-CB 3.09Å; T738-A748 PolarHBondContact O-N 3.05Å; T738-L753 HydrophobicContact CG2-CD2 4.14Å; T738-L798 HydrophobicContact CG2-CD2 3.17Å; T738-I801 HydrophobicContact CG2-CD1 4.45Å; T738-Y802 HydrophobicContact CG2-CE2 4.24Å |
| 739 | M | 92 | Very high | 93.7 | Very high | 121 Ų | 121 | 58.8 Ų | 58.8 | 60% | 0.596 | 30% | 0.298 | S | S | * | . | trans | 48.3 | 32.4 | -175.1 | -56.6 | -167.7 | -177.7 | 0 | 0 | 113.1 | A736 L737 D741 | A736-M739 PolarHBondContact O-N 2.83Å; L737-M739 PolarHBondContact O-N 3.35Å; M739-D741 PolarHBondContact O-N 3.39Å | ||
| 740 | Y | 93.5 | Very high | 93.7 | Very high | 47 Ų | 47 | 53.7 Ų | 53.7 | 18% | 0.184 | 28% | 0.279 | C | S | . | . | trans | -72.5 | 114 | -177.1 | 178.1 | -127.1 | 0 | 0 | 0 | 111.2 | T738 K742 T746 I747 I801 W805 | T738-Y740 PolarHBondContact O-N 2.96Å; T738-Y740 PolarHBondContact OG1-N 3.22Å; Y740-K742 HydrophobicContact CD1-CG 4.4Å; Y740-K742 HydrophobicContact CE1-CG 3.73Å; Y740-T746 WeakPolarHBondContact CA-O 3.35Å; Y740-T746 WeakPolarHBondContact CD2-O 3.26Å; Y740-I747 HydrophobicContact CD2-CB 4.29Å; Y740-I747 HydrophobicContact CD2-CD1 4.35Å; Y740-I747 HydrophobicContact CD2-CG1 4.45Å; Y740-I801 HydrophobicContact CD1-CG2 3.77Å; Y740-I801 HydrophobicContact CG-CG2 3.76Å; Y740-W805 AromaticContact CE2-CD1 3.69Å | ||
| 741 | D | 91.9 | Very high | 93.7 | Very high | 58 Ų | 58 | 55.6 Ų | 55.6 | 31% | 0.31 | 29% | 0.292 | S | S | . | . | trans | -107.9 | 118.2 | 176.2 | 178.3 | -2.7 | 0 | 0 | 0 | 110.1 | M739 E743 T744 Q745 T746 | M739-D741 PolarHBondContact O-N 3.39Å; D741-E743 VanDerWaalsContact C-N 3.32Å; D741-E743 PolarHBondContact O-N 2.9Å; D741-E743 WeakPolarHBondContact OD1-CB 3.46Å; D741-E743 PolarHBondContact OD1-N 3.37Å; D741-T744 VanDerWaalsContact CB-OG1 3.28Å; D741-T744 WeakPolarHBondContact CB-OG1 3.47Å; D741-T744 PolarHBondContact OD1-N 2.83Å; D741-T744 WeakPolarHBondContact OD2-CB 3.49Å; D741-T744 WeakPolarHBondContact OD2-CG2 3.47Å; D741-T744 PolarHBondContact OD2-OG1 2.95Å; D741-Q745 WeakPolarHBondContact O-CA 3.31Å; D741-Q745 PolarHBondContact O-N 3.19Å; D741-T746 PolarHBondContact N-O 3.41Å; D741-T746 PolarHBondContact O-N 3.46Å | ||
| 742 | K | 88.1 | Confident | 93.6 | Very high | 136 Ų | 136 | 57 Ų | 57 | 59% | 0.591 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -28.4 | -179.4 | -68.2 | -179.2 | 179.9 | 176.7 | 0 | 112.8 | Y740 | Y740-K742 HydrophobicContact CD1-CG 4.4Å; Y740-K742 HydrophobicContact CE1-CG 3.73Å |
| 743 | E | 89 | Confident | 93.6 | Very high | 181 Ų | 181 | 51.1 Ų | 51.1 | 85% | 0.846 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.5 | -49.6 | -178.7 | -62.2 | -173.2 | 174.9 | 0 | 0 | 111 | D741 Q745 | D741-E743 VanDerWaalsContact C-N 3.32Å; D741-E743 PolarHBondContact O-N 2.9Å; D741-E743 WeakPolarHBondContact OD1-CB 3.46Å; D741-E743 PolarHBondContact OD1-N 3.37Å; E743-Q745 VanDerWaalsContact C-N 3.35Å |
| 744 | T | 90.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 51.4 Ų | 51.4 | 51% | 0.509 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -10.1 | 179.5 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | D741 T746 | D741-T744 VanDerWaalsContact CB-OG1 3.28Å; D741-T744 WeakPolarHBondContact CB-OG1 3.47Å; D741-T744 PolarHBondContact OD1-N 2.83Å; D741-T744 WeakPolarHBondContact OD2-CB 3.49Å; D741-T744 WeakPolarHBondContact OD2-CG2 3.47Å; D741-T744 PolarHBondContact OD2-OG1 2.95Å; T744-T746 PolarHBondContact O-N 2.88Å; T744-T746 WeakPolarHBondContact OG1-CG2 3.29Å; T744-T746 PolarHBondContact OG1-OG1 2.74Å |
| 745 | Q | 90 | Very high | 93.7 | Very high | 72 Ų | 72 | 53.3 Ų | 53.3 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | trans | 57 | 23.2 | -173.6 | -55 | -177.1 | -19.9 | 0 | 0 | 113.5 | D741 E743 W805 V809 R813 | D741-Q745 WeakPolarHBondContact O-CA 3.31Å; D741-Q745 PolarHBondContact O-N 3.19Å; E743-Q745 VanDerWaalsContact C-N 3.35Å; Q745-W805 PolarHBondContact O-NE1 3.08Å; Q745-V809 HydrophobicContact CB-CG1 3.89Å; Q745-V809 HydrophobicContact CB-CG2 4.22Å; Q745-V809 HydrophobicContact CG-CG2 4.42Å; Q745-R813 VanDerWaalsContact OE1-NH1 3.16Å | ||
| 746 | T | 91.5 | Very high | 93.7 | Very high | 74 Ų | 74 | 52 Ų | 52 | 45% | 0.454 | 28% | 0.276 | S | S | . | . | trans | -86.4 | 149.4 | 178.5 | 58.7 | 0 | 0 | 0 | 0 | 110.7 | Y740 D741 T744 | Y740-T746 WeakPolarHBondContact CA-O 3.35Å; Y740-T746 WeakPolarHBondContact CD2-O 3.26Å; D741-T746 PolarHBondContact N-O 3.41Å; D741-T746 PolarHBondContact O-N 3.46Å; T744-T746 PolarHBondContact O-N 2.88Å; T744-T746 WeakPolarHBondContact OG1-CG2 3.29Å; T744-T746 PolarHBondContact OG1-OG1 2.74Å | ||
| 747 | I | 96.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 49 Ų | 49 | 7% | 0.072 | 25% | 0.251 | C | S | . | . | trans | -149.2 | 152.4 | 177.2 | -164.5 | 167.7 | 0 | 0 | 0 | 108.8 | T738 Y740 I801 Y802 W805 H845 | T738-I747 WeakPolarHBondContact O-CG1 3.25Å; Y740-I747 HydrophobicContact CD2-CB 4.29Å; Y740-I747 HydrophobicContact CD2-CD1 4.35Å; Y740-I747 HydrophobicContact CD2-CG1 4.45Å; I747-I801 HydrophobicContact CD1-CG2 3.88Å; I747-Y802 HydrophobicContact CD1-CD1 3.62Å; I747-Y802 HydrophobicContact CD1-CD2 4.44Å; I747-Y802 HydrophobicContact CD1-CE1 3.5Å; I747-Y802 HydrophobicContact CD1-CE2 4.33Å; I747-Y802 HydrophobicContact CD1-CG 4.11Å; I747-Y802 HydrophobicContact CG1-CE1 3.96Å; I747-W805 HydrophobicContact CB-CD2 4.45Å; I747-W805 HydrophobicContact CB-CG 4.32Å; I747-W805 HydrophobicContact CD1-CB 4.05Å; I747-W805 HydrophobicContact CD1-CG 4.09Å; I747-W805 HydrophobicContact CG2-CD2 3.57Å; I747-W805 HydrophobicContact CG2-CE3 4.08Å; I747-W805 HydrophobicContact CG2-CG 3.93Å; I747-W805 HydrophobicContact CG2-CH2 4.21Å; I747-W805 HydrophobicContact CG2-CZ2 3.7Å; I747-W805 HydrophobicContact CG2-CZ3 4.37Å; I747-H845 PolarHBondContact O-CE1 3.01Å | ||
| 748 | A | 94.6 | Very high | 93.9 | Very high | 13 Ų | 13 | 51.1 Ų | 51.1 | 11% | 0.107 | 26% | 0.26 | C | S | . | . | trans | -63 | 142.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T738 L753 Y802 | T738-A748 WeakPolarHBondContact O-CB 3.09Å; T738-A748 PolarHBondContact O-N 3.05Å; A748-L753 HydrophobicContact CB-CB 4.45Å; A748-Y802 PolarHBondContact O-OH 3.43Å | ||
| 749 | K | 94.9 | Very high | 94 | Very high | 36 Ų | 36 | 51.5 Ų | 51.5 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | trans | -61.2 | 137.2 | 170.3 | -55.7 | -173.7 | -169.8 | -171.3 | 0 | 109.2 | S751 E752 L753 E844 | K749-S751 VanDerWaalsContact C-N 3.25Å; K749-S751 PolarHBondContact O-N 3.03Å; K749-E752 HydrophobicContact CB-CB 4.24Å; K749-E752 HydrophobicContact CB-CG 3.98Å; K749-E752 HydrophobicContact CD-CG 4.4Å; K749-E752 HydrophobicContact CG-CG 4.48Å; K749-E752 PolarHBondContact O-N 3.19Å; K749-E752 VanDerWaalsContact O-N 3.1Å; K749-L753 PolarHBondContact O-N 2.88Å; K749-E844 HydrophobicContact CD-CB 4.11Å; K749-E844 VanDerWaalsContact CE-OE2 3.25Å; K749-E844 WeakPolarHBondContact CE-OE2 3.36Å; K749-E844 WeakPolarHBondContact CG-O 3.12Å; K749-E844 IonicContact NZ-OE1 2.75Å; K749-E844 PolarHBondContact NZ-OE1 3.47Å; K749-E844 IonicContact NZ-OE2 3.93Å; K749-E844 PolarHBondContact NZ-OE2 2.9Å | ||
| 750 | P | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -53.2 | -39.4 | 179.7 | -28.2 | 34.6 | 0 | 0 | 0 | 114.2 | L753 L754 Y802 E850 A853 L854 L857 | P750-L753 PolarHBondContact O-N 3.31Å; P750-L754 VanDerWaalsContact O-CB 3.29Å; P750-L754 WeakPolarHBondContact O-CB 3.41Å; P750-L754 PolarHBondContact O-N 3.49Å; P750-Y802 HydrophobicContact CG-CE1 4.22Å; P750-E850 VanDerWaalsContact CB-O 3.27Å; P750-E850 WeakPolarHBondContact CB-O 3.26Å; P750-E850 VanDerWaalsContact CD-OE2 3.31Å; P750-E850 WeakPolarHBondContact CD-OE2 3.1Å; P750-E850 HydrophobicContact CG-CB 4.43Å; P750-A853 HydrophobicContact CB-CB 3.97Å; P750-L854 HydrophobicContact CB-CB 3.84Å; P750-L854 HydrophobicContact CB-CD1 4.49Å; P750-L854 HydrophobicContact CG-CB 3.96Å; P750-L854 HydrophobicContact CG-CD1 4.26Å; P750-L857 HydrophobicContact CB-CD1 4.41Å; P750-L857 VanDerWaalsContact O-CD1 3.32Å; P750-L857 WeakPolarHBondContact O-CD1 3.27Å |
| 751 | S | 95.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.4 | -39 | 178 | 69 | 0 | 0 | 0 | 0 | 112.8 | K749 L754 N755 E850 | K749-S751 VanDerWaalsContact C-N 3.25Å; K749-S751 PolarHBondContact O-N 3.03Å; S751-L754 PolarHBondContact O-N 2.92Å; S751-N755 WeakPolarHBondContact O-CB 3.3Å; S751-N755 PolarHBondContact O-N 3.33Å; S751-E850 WeakPolarHBondContact CB-OE1 3.29Å; S751-E850 VanDerWaalsContact CB-OE2 3.23Å; S751-E850 WeakPolarHBondContact CB-OE2 3.49Å; S751-E850 PolarHBondContact N-OE2 3.49Å; S751-E850 PolarHBondContact OG-OE1 2.96Å; S751-E850 PolarHBondContact OG-OE2 2.91Å |
| 752 | E | 95 | Very high | 94.5 | Very high | 39 Ų | 39 | 47.5 Ų | 47.5 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -46.1 | 176.6 | -65 | -173.4 | -178.2 | 0 | 0 | 110.7 | L634 K636 K749 L754 N755 S756 | L634-E752 HydrophobicContact CD1-CG 4.15Å; L634-E752 HydrophobicContact CD2-CG 4.47Å; K636-E752 WeakPolarHBondContact CD-OE1 3.08Å; K636-E752 WeakPolarHBondContact CE-OE1 3.18Å; K636-E752 IonicContact NZ-OE1 3.81Å; K636-E752 PolarHBondContact NZ-OE1 2.91Å; K636-E752 IonicContact NZ-OE2 3.19Å; K636-E752 PolarHBondContact NZ-OE2 3.34Å; K749-E752 HydrophobicContact CB-CB 4.24Å; K749-E752 HydrophobicContact CB-CG 3.98Å; K749-E752 HydrophobicContact CD-CG 4.4Å; K749-E752 HydrophobicContact CG-CG 4.48Å; K749-E752 PolarHBondContact O-N 3.19Å; K749-E752 VanDerWaalsContact O-N 3.1Å; E752-L754 PolarHBondContact O-N 3.49Å; E752-N755 PolarHBondContact O-N 3.03Å; E752-S756 PolarHBondContact O-N 2.78Å; E752-S756 PolarHBondContact O-OG 3.02Å |
| 753 | L | 95.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.1 | -45.6 | 174.4 | 174.1 | 60.9 | 0 | 0 | 0 | 111.5 | L737 T738 A748 K749 P750 N755 S756 V757 L798 Y802 L857 | L737-L753 HydrophobicContact CB-CD1 3.43Å; L737-L753 VanDerWaalsContact CB-CD1 3.43Å; T738-L753 HydrophobicContact CG2-CD2 4.14Å; A748-L753 HydrophobicContact CB-CB 4.45Å; K749-L753 PolarHBondContact O-N 2.88Å; P750-L753 PolarHBondContact O-N 3.31Å; L753-N755 VanDerWaalsContact C-N 3.33Å; L753-N755 PolarHBondContact O-N 3.41Å; L753-S756 PolarHBondContact O-N 3.22Å; L753-V757 HydrophobicContact CD1-CG2 3.91Å; L753-V757 HydrophobicContact CG-CG2 4.33Å; L753-V757 WeakPolarHBondContact O-CG2 3.4Å; L753-V757 PolarHBondContact O-N 2.99Å; L753-L798 HydrophobicContact CD2-CD1 4.28Å; L753-L798 HydrophobicContact CD2-CD2 3.85Å; L753-Y802 HydrophobicContact CD2-CE2 3.51Å; L753-Y802 WeakPolarHBondContact CD2-OH 3.23Å; L753-L857 HydrophobicContact CB-CD1 4.15Å; L753-L857 HydrophobicContact CD2-CD1 3.84Å; L753-L857 HydrophobicContact CD2-CD2 4.47Å; L753-L857 HydrophobicContact CG-CD1 3.95Å; L753-L857 HydrophobicContact CG-CD2 4.25Å |
| 754 | L | 96.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 32.7 Ų | 32.7 | 12% | 0.115 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.2 | -45.1 | 178.4 | 178.6 | 60.7 | 0 | 0 | 0 | 111.5 | P750 S751 E752 S756 V757 Q758 A853 Q856 L857 | P750-L754 VanDerWaalsContact O-CB 3.29Å; P750-L754 WeakPolarHBondContact O-CB 3.41Å; P750-L754 PolarHBondContact O-N 3.49Å; S751-L754 PolarHBondContact O-N 2.92Å; E752-L754 PolarHBondContact O-N 3.49Å; L754-S756 PolarHBondContact O-N 2.9Å; L754-V757 PolarHBondContact O-N 3.19Å; L754-Q758 HydrophobicContact CD1-CG 4.23Å; L754-Q758 WeakPolarHBondContact O-CB 3.29Å; L754-Q758 VanDerWaalsContact O-CG 3.29Å; L754-Q758 WeakPolarHBondContact O-CG 2.99Å; L754-Q758 PolarHBondContact O-N 3.38Å; L754-A853 HydrophobicContact CB-CB 4.35Å; L754-A853 HydrophobicContact CD2-CB 3.86Å; L754-Q856 HydrophobicContact CD1-CG 4.25Å; L754-Q856 HydrophobicContact CD2-CB 4.41Å; L754-Q856 HydrophobicContact CD2-CG 4.38Å; L754-L857 HydrophobicContact CB-CD1 4.1Å; L754-L857 HydrophobicContact CB-CD2 4.23Å; L754-L857 HydrophobicContact CB-CG 4.08Å; L754-L857 HydrophobicContact CD1-CD2 3.98Å; L754-L857 HydrophobicContact CD1-CG 4.13Å |
| 755 | N | 96.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 23% | 0.225 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 176.2 | -178.7 | 70.9 | 0 | 0 | 0 | 112 | S630 L634 S751 E752 L753 Q758 T759 | S630-N755 PolarHBondContact OG-ND2 2.88Å; S630-N755 PolarHBondContact OG-OD1 3Å; L634-N755 HydrophobicContact CD2-CB 4.46Å; S751-N755 WeakPolarHBondContact O-CB 3.3Å; S751-N755 PolarHBondContact O-N 3.33Å; E752-N755 PolarHBondContact O-N 3.03Å; L753-N755 VanDerWaalsContact C-N 3.33Å; L753-N755 PolarHBondContact O-N 3.41Å; N755-Q758 PolarHBondContact O-N 3.37Å; N755-T759 WeakPolarHBondContact O-CB 3.37Å; N755-T759 PolarHBondContact O-N 3.16Å; N755-T759 PolarHBondContact O-OG1 3.41Å |
| 756 | S | 96.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 32.2 Ų | 32.2 | 7% | 0.07 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -65 | -40.9 | 176.3 | -60.9 | 0 | 0 | 0 | 0 | 112.5 | E752 L753 L754 T759 Y760 | E752-S756 PolarHBondContact O-N 2.78Å; E752-S756 PolarHBondContact O-OG 3.02Å; L753-S756 PolarHBondContact O-N 3.22Å; L754-S756 PolarHBondContact O-N 2.9Å; S756-T759 PolarHBondContact O-N 3.4Å; S756-Y760 WeakPolarHBondContact O-CB 3.37Å; S756-Y760 PolarHBondContact O-N 3.04Å |
| 757 | V | 96.6 | Very high | 95.6 | Very high | 7 Ų | 7 | 28.8 Ų | 28.8 | 4% | 0.042 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -46 | 176.6 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | F730 I734 L737 L753 L754 Y760 M761 L783 L857 | F730-V757 HydrophobicContact CZ-CG1 4.49Å; I734-V757 HydrophobicContact CG1-CG2 4.35Å; I734-V757 HydrophobicContact CG2-CG2 4.42Å; L737-V757 HydrophobicContact CD1-CG2 4.49Å; L753-V757 HydrophobicContact CD1-CG2 3.91Å; L753-V757 HydrophobicContact CG-CG2 4.33Å; L753-V757 WeakPolarHBondContact O-CG2 3.4Å; L753-V757 PolarHBondContact O-N 2.99Å; L754-V757 PolarHBondContact O-N 3.19Å; V757-Y760 WeakPolarHBondContact O-CB 3.44Å; V757-Y760 PolarHBondContact O-N 2.91Å; V757-M761 HydrophobicContact CG1-CG 4.49Å; V757-M761 HydrophobicContact CG1-SD 4Å; V757-M761 VanDerWaalsContact O-CG 3.27Å; V757-M761 WeakPolarHBondContact O-CG 3.22Å; V757-M761 PolarHBondContact O-N 3.02Å; V757-L783 HydrophobicContact CG1-CD2 4.31Å; V757-L857 HydrophobicContact CG2-CD2 4.38Å |
| 758 | Q | 96.6 | Very high | 95.4 | Very high | 74 Ų | 74 | 32 Ų | 32 | 35% | 0.346 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.8 | -46.7 | 176.3 | -73.8 | 173.1 | -26.9 | 0 | 0 | 111.6 | L754 N755 Y760 M761 D762 | L754-Q758 HydrophobicContact CD1-CG 4.23Å; L754-Q758 WeakPolarHBondContact O-CB 3.29Å; L754-Q758 VanDerWaalsContact O-CG 3.29Å; L754-Q758 WeakPolarHBondContact O-CG 2.99Å; L754-Q758 PolarHBondContact O-N 3.38Å; N755-Q758 PolarHBondContact O-N 3.37Å; Q758-Y760 VanDerWaalsContact C-N 3.28Å; Q758-Y760 PolarHBondContact O-N 3.4Å; Q758-M761 WeakPolarHBondContact O-CB 3.38Å; Q758-M761 PolarHBondContact O-N 2.89Å; Q758-M761 VanDerWaalsContact O-N 3.07Å; Q758-D762 VanDerWaalsContact O-CG 3.26Å; Q758-D762 PolarHBondContact O-N 3.48Å |
| 759 | T | 96.6 | Very high | 95.2 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.08 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 176.7 | -57 | 0 | 0 | 0 | 0 | 111.5 | H626 S630 N755 S756 D762 V763 | H626-T759 HydrophobicContact CB-CG2 3.8Å; H626-T759 WeakPolarHBondContact O-CG2 3.46Å; S630-T759 WeakPolarHBondContact CB-OG1 3.42Å; S630-T759 PolarHBondContact OG-OG1 3.36Å; N755-T759 WeakPolarHBondContact O-CB 3.37Å; N755-T759 PolarHBondContact O-N 3.16Å; N755-T759 PolarHBondContact O-OG1 3.41Å; S756-T759 PolarHBondContact O-N 3.4Å; T759-D762 PolarHBondContact O-N 3.31Å; T759-V763 WeakPolarHBondContact O-CG2 3.46Å; T759-V763 PolarHBondContact O-N 3.34Å |
| 760 | Y | 96.5 | Very high | 95 | Very high | 9 Ų | 9 | 40.6 Ų | 40.6 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 176.1 | -158.4 | -76.1 | 0 | 0 | 0 | 111.8 | C623 F730 T733 S756 V757 Q758 V763 L764 | C623-Y760 HydrophobicContact CB-CD2 3.38Å; C623-Y760 HydrophobicContact CB-CE2 3.23Å; C623-Y760 HydrophobicContact CB-CG 4.1Å; C623-Y760 VanDerWaalsContact SG-CE2 3.57Å; C623-Y760 VanDerWaalsContact SG-CZ 3.59Å; F730-Y760 HydrophobicContact CB-CE1 4.31Å; F730-Y760 AromaticContact CD2-CD1 3.38Å; F730-Y760 HydrophobicContact CD2-CD1 3.38Å; F730-Y760 AromaticContact CD2-CE1 3.59Å; F730-Y760 HydrophobicContact CD2-CE1 3.59Å; F730-Y760 HydrophobicContact CD2-CG 4.19Å; F730-Y760 AromaticContact CE2-CD1 3.64Å; F730-Y760 HydrophobicContact CE2-CD1 3.64Å; F730-Y760 HydrophobicContact CE2-CE1 4.32Å; F730-Y760 HydrophobicContact CE2-CG 4.19Å; F730-Y760 HydrophobicContact CG-CD1 4.36Å; F730-Y760 HydrophobicContact CG-CE1 4.28Å; T733-Y760 HydrophobicContact CG2-CD2 3.85Å; T733-Y760 HydrophobicContact CG2-CE2 3.61Å; S756-Y760 WeakPolarHBondContact O-CB 3.37Å; S756-Y760 PolarHBondContact O-N 3.04Å; V757-Y760 WeakPolarHBondContact O-CB 3.44Å; V757-Y760 PolarHBondContact O-N 2.91Å; Q758-Y760 VanDerWaalsContact C-N 3.28Å; Q758-Y760 PolarHBondContact O-N 3.4Å; Y760-V763 PolarHBondContact O-N 3.44Å; Y760-L764 HydrophobicContact CD1-CD1 3.7Å; Y760-L764 HydrophobicContact CD1-CG 3.89Å; Y760-L764 HydrophobicContact CE1-CD1 3.64Å; Y760-L764 HydrophobicContact CE1-CD2 4.16Å; Y760-L764 HydrophobicContact CE1-CG 3.83Å; Y760-L764 WeakPolarHBondContact O-CG 3.34Å; Y760-L764 PolarHBondContact O-N 3.48Å |
| 761 | M | 97.1 | Very high | 94.8 | Very high | 39 Ų | 39 | 40.6 Ų | 40.6 | 19% | 0.192 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.8 | -43.7 | 176.1 | -70 | 171.6 | 67.9 | 0 | 0 | 111.6 | F730 V757 Q758 V763 L764 Q765 F779 L783 | F730-M761 HydrophobicContact CE2-CG 4.35Å; F730-M761 HydrophobicContact CZ-CG 3.7Å; F730-M761 HydrophobicContact CZ-SD 4.47Å; V757-M761 HydrophobicContact CG1-CG 4.49Å; V757-M761 HydrophobicContact CG1-SD 4Å; V757-M761 VanDerWaalsContact O-CG 3.27Å; V757-M761 WeakPolarHBondContact O-CG 3.22Å; V757-M761 PolarHBondContact O-N 3.02Å; Q758-M761 WeakPolarHBondContact O-CB 3.38Å; Q758-M761 PolarHBondContact O-N 2.89Å; Q758-M761 VanDerWaalsContact O-N 3.07Å; M761-V763 VanDerWaalsContact C-N 3.3Å; M761-V763 PolarHBondContact O-N 2.9Å; M761-L764 PolarHBondContact O-N 2.82Å; M761-L764 VanDerWaalsContact O-N 3.1Å; M761-Q765 WeakPolarHBondContact O-CG 3.2Å; M761-Q765 PolarHBondContact O-N 3Å; M761-F779 HydrophobicContact CB-CE1 4.08Å; M761-F779 HydrophobicContact CB-CE2 4.05Å; M761-F779 HydrophobicContact CB-CZ 3.63Å; M761-F779 HydrophobicContact CE-CB 4.44Å; M761-F779 HydrophobicContact CE-CD1 4.42Å; M761-F779 HydrophobicContact CE-CD2 3.6Å; M761-F779 HydrophobicContact CE-CE2 3.81Å; M761-F779 HydrophobicContact CE-CG 3.93Å; M761-F779 HydrophobicContact CE-CZ 4.33Å; M761-F779 HydrophobicContact CG-CD1 4.24Å; M761-F779 HydrophobicContact CG-CE1 3.85Å; M761-F779 HydrophobicContact CG-CE2 4.3Å; M761-F779 HydrophobicContact CG-CZ 3.89Å; M761-F779 WeakPolarHBondContact O-CZ 3.36Å; M761-L783 HydrophobicContact CE-CD1 3.86Å; M761-L783 HydrophobicContact SD-CD1 3.93Å |
| 762 | D | 95.9 | Very high | 94.5 | Very high | 94 Ų | 94 | 45.4 Ų | 45.4 | 50% | 0.503 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.8 | -44.2 | 178.6 | -65.6 | -21.3 | 0 | 0 | 0 | 110.9 | Q758 T759 Q765 T766 | Q758-D762 VanDerWaalsContact O-CG 3.26Å; Q758-D762 PolarHBondContact O-N 3.48Å; T759-D762 PolarHBondContact O-N 3.31Å; D762-Q765 PolarHBondContact O-N 3.25Å; D762-T766 WeakPolarHBondContact O-CG2 3.27Å; D762-T766 PolarHBondContact O-N 3.27Å |
| 763 | V | 94.6 | Very high | 94.4 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.03 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.8 | 176 | 0 | 0 | 0 | 0 | 111.2 | V622 C623 H626 T759 Y760 M761 Q765 T766 | V622-V763 HydrophobicContact CB-CG1 4.25Å; V622-V763 HydrophobicContact CG1-CG1 3.62Å; C623-V763 WeakPolarHBondContact SG-CG1 3.49Å; H626-V763 HydrophobicContact CB-CG2 3.63Å; T759-V763 WeakPolarHBondContact O-CG2 3.46Å; T759-V763 PolarHBondContact O-N 3.34Å; Y760-V763 PolarHBondContact O-N 3.44Å; M761-V763 VanDerWaalsContact C-N 3.3Å; M761-V763 PolarHBondContact O-N 2.9Å; V763-Q765 VanDerWaalsContact C-N 3.32Å; V763-Q765 PolarHBondContact O-N 3.1Å; V763-T766 PolarHBondContact O-N 2.72Å; V763-T766 VanDerWaalsContact O-N 3.13Å; V763-T766 PolarHBondContact O-OG1 3.38Å |
| 764 | L | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.2 | -39.2 | 177.8 | -74.2 | -178 | 0 | 0 | 0 | 112.4 | V619 L726 F730 Y760 M761 T766 I767 I775 L778 F779 | V619-L764 HydrophobicContact CG1-CD2 3.67Å; L726-L764 HydrophobicContact CD1-CD2 4.47Å; L726-L764 HydrophobicContact CD2-CD2 4.14Å; F730-L764 HydrophobicContact CB-CD1 4.31Å; F730-L764 HydrophobicContact CD1-CD1 4.28Å; F730-L764 HydrophobicContact CD2-CD1 4.19Å; F730-L764 HydrophobicContact CG-CD1 4.02Å; Y760-L764 HydrophobicContact CD1-CD1 3.7Å; Y760-L764 HydrophobicContact CD1-CG 3.89Å; Y760-L764 HydrophobicContact CE1-CD1 3.64Å; Y760-L764 HydrophobicContact CE1-CD2 4.16Å; Y760-L764 HydrophobicContact CE1-CG 3.83Å; Y760-L764 WeakPolarHBondContact O-CG 3.34Å; Y760-L764 PolarHBondContact O-N 3.48Å; M761-L764 PolarHBondContact O-N 2.82Å; M761-L764 VanDerWaalsContact O-N 3.1Å; L764-T766 VanDerWaalsContact C-N 3.28Å; L764-T766 PolarHBondContact O-N 2.98Å; L764-I767 HydrophobicContact CD2-CD1 3.7Å; L764-I767 VanDerWaalsContact O-CB 3.26Å; L764-I767 WeakPolarHBondContact O-CB 3.48Å; L764-I767 WeakPolarHBondContact O-CG1 3.43Å; L764-I767 PolarHBondContact O-N 3.12Å; L764-I767 VanDerWaalsContact O-N 3.13Å; L764-I775 HydrophobicContact CB-CG2 4.19Å; L764-L778 HydrophobicContact CD1-CD2 4.23Å; L764-F779 HydrophobicContact CB-CE1 3.88Å; L764-F779 HydrophobicContact CB-CZ 3.91Å; L764-F779 HydrophobicContact CD1-CE1 3.69Å; L764-F779 HydrophobicContact CG-CE1 4.44Å |
| 765 | Q | 95 | Very high | 94.2 | Very high | 85 Ų | 85 | 47.6 Ų | 47.6 | 40% | 0.397 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.5 | -34.6 | 175.3 | -73.2 | 177.4 | -22.5 | 0 | 0 | 112.1 | M761 D762 V763 I767 E768 I775 F779 | M761-Q765 WeakPolarHBondContact O-CG 3.2Å; M761-Q765 PolarHBondContact O-N 3Å; D762-Q765 PolarHBondContact O-N 3.25Å; V763-Q765 VanDerWaalsContact C-N 3.32Å; V763-Q765 PolarHBondContact O-N 3.1Å; Q765-I767 PolarHBondContact O-N 3.17Å; Q765-I767 VanDerWaalsContact O-N 3.12Å; Q765-E768 WeakPolarHBondContact O-CB 3.48Å; Q765-E768 PolarHBondContact O-N 3.17Å; Q765-E768 VanDerWaalsContact O-N 3.11Å; Q765-I775 HydrophobicContact CG-CG2 4.14Å; Q765-F779 HydrophobicContact CG-CE2 3.64Å; Q765-F779 HydrophobicContact CG-CZ 3.9Å |
| 766 | T | 91.5 | Very high | 94.2 | Very high | 61 Ų | 61 | 49.2 Ų | 49.2 | 37% | 0.374 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -63.1 | -20.2 | 177.4 | 69.1 | 0 | 0 | 0 | 0 | 113.3 | D762 V763 L764 E768 N769 Y770 | D762-T766 WeakPolarHBondContact O-CG2 3.27Å; D762-T766 PolarHBondContact O-N 3.27Å; V763-T766 PolarHBondContact O-N 2.72Å; V763-T766 VanDerWaalsContact O-N 3.13Å; V763-T766 PolarHBondContact O-OG1 3.38Å; L764-T766 VanDerWaalsContact C-N 3.28Å; L764-T766 PolarHBondContact O-N 2.98Å; T766-E768 VanDerWaalsContact C-N 3.26Å; T766-E768 PolarHBondContact O-N 3.07Å; T766-N769 WeakPolarHBondContact O-CB 3.4Å; T766-N769 PolarHBondContact O-N 2.69Å; T766-N769 PolarHBondContact O-ND2 3.44Å; T766-Y770 WeakPolarHBondContact O-CD2 3.43Å |
| 767 | I | 93.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -64.5 | -31.4 | 176.8 | -57.1 | 173.4 | 0 | 0 | 0 | 111.2 | V619 L726 L764 Q765 N769 Y770 V771 I773 | V619-I767 HydrophobicContact CB-CD1 4.36Å; V619-I767 HydrophobicContact CG1-CD1 3.79Å; V619-I767 HydrophobicContact CG2-CD1 3.55Å; V619-I767 HydrophobicContact CG2-CG1 4.33Å; L726-I767 HydrophobicContact CD1-CD1 3.94Å; L726-I767 HydrophobicContact CD2-CD1 4.44Å; L764-I767 HydrophobicContact CD2-CD1 3.7Å; L764-I767 VanDerWaalsContact O-CB 3.26Å; L764-I767 WeakPolarHBondContact O-CB 3.48Å; L764-I767 WeakPolarHBondContact O-CG1 3.43Å; L764-I767 PolarHBondContact O-N 3.12Å; L764-I767 VanDerWaalsContact O-N 3.13Å; Q765-I767 PolarHBondContact O-N 3.17Å; Q765-I767 VanDerWaalsContact O-N 3.12Å; I767-N769 PolarHBondContact O-N 3.13Å; I767-N769 VanDerWaalsContact O-N 3.11Å; I767-Y770 PolarHBondContact O-N 3.44Å; I767-V771 HydrophobicContact CG2-CG2 4.5Å; I767-V771 PolarHBondContact O-N 2.69Å; I767-I773 HydrophobicContact CB-CD1 4.45Å; I767-I773 HydrophobicContact CG2-CD1 3.7Å; I767-I773 HydrophobicContact CG2-CG1 4.47Å |
| 768 | E | 91.9 | Very high | 94.2 | Very high | 81 Ų | 81 | 50.1 Ų | 50.1 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -61.2 | -21.5 | 178 | -64.6 | -173.5 | 148.9 | 0 | 0 | 112.7 | Q765 T766 Y770 V771 I773 I775 | Q765-E768 WeakPolarHBondContact O-CB 3.48Å; Q765-E768 PolarHBondContact O-N 3.17Å; Q765-E768 VanDerWaalsContact O-N 3.11Å; T766-E768 VanDerWaalsContact C-N 3.26Å; T766-E768 PolarHBondContact O-N 3.07Å; E768-Y770 PolarHBondContact O-N 3.1Å; E768-V771 WeakPolarHBondContact CA-O 3.11Å; E768-I773 VanDerWaalsContact OE1-O 3.13Å; E768-I775 HydrophobicContact CG-CB 4.01Å; E768-I775 HydrophobicContact CG-CG1 3.51Å; E768-I775 WeakPolarHBondContact OE1-CB 3.41Å; E768-I775 PolarHBondContact OE1-N 3.19Å; E768-I775 VanDerWaalsContact OE1-N 3.08Å |
| 769 | N | 90.6 | Very high | 94.2 | Very high | 135 Ų | 135 | 47 Ų | 47 | 72% | 0.722 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -71.4 | -19.3 | 173.6 | -61 | -48.8 | 0 | 0 | 0 | 113.1 | T766 I767 | T766-N769 WeakPolarHBondContact O-CB 3.4Å; T766-N769 PolarHBondContact O-N 2.69Å; T766-N769 PolarHBondContact O-ND2 3.44Å; I767-N769 PolarHBondContact O-N 3.13Å; I767-N769 VanDerWaalsContact O-N 3.11Å |
| 770 | Y | 90.9 | Very high | 94.1 | Very high | 95 Ų | 95 | 51.2 Ų | 51.2 | 37% | 0.373 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -32.9 | -177.1 | -54.9 | -80.7 | 0 | 0 | 0 | 113.2 | C700 T766 I767 E768 | C700-Y770 VanDerWaalsContact CB-CB 3.46Å; C700-Y770 HydrophobicContact CB-CG 4.31Å; T766-Y770 WeakPolarHBondContact O-CD2 3.43Å; I767-Y770 PolarHBondContact O-N 3.44Å; E768-Y770 PolarHBondContact O-N 3.1Å |
| 771 | V | 93 | Very high | 94.1 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.006 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -136.2 | 135.9 | -177.2 | -166.7 | 0 | 0 | 0 | 0 | 109.3 | C700 I703 D704 R719 L722 I767 E768 I773 | C700-V771 HydrophobicContact CB-CG2 3.31Å; C700-V771 VanDerWaalsContact SG-CG2 3.56Å; I703-V771 HydrophobicContact CG2-CG1 4.26Å; D704-V771 HydrophobicContact CB-CG1 4.11Å; D704-V771 HydrophobicContact CB-CG2 4.5Å; D704-V771 WeakPolarHBondContact OD1-CG1 3.41Å; R719-V771 HydrophobicContact CG-CG1 4.05Å; L722-V771 HydrophobicContact CD2-CG2 4.48Å; I767-V771 HydrophobicContact CG2-CG2 4.5Å; I767-V771 PolarHBondContact O-N 2.69Å; E768-V771 WeakPolarHBondContact CA-O 3.11Å; V771-I773 HydrophobicContact CB-CG2 4.44Å; V771-I773 HydrophobicContact CG1-CG2 3.82Å; V771-I773 PolarHBondContact O-N 3.06Å |
| 772 | Q | 89.6 | Confident | 94.1 | Very high | 139 Ų | 139 | 54.1 Ų | 54.1 | 65% | 0.65 | 28% | 0.284 | S | S | * | . | trans | -79.3 | 82.7 | 177.9 | -62.4 | 173.1 | -13.8 | 0 | 0 | 111.2 | D704 R719 | D704-Q772 PolarHBondContact OD1-N 3.32Å; R719-Q772 WeakPolarHBondContact CD-O 3.38Å; R719-Q772 VanDerWaalsContact NH1-OE1 3.07Å | ||
| 773 | I | 92.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 52.1 Ų | 52.1 | 6% | 0.062 | 27% | 0.273 | C | S | . | . | trans | -124.1 | 151.7 | 178.1 | 54.3 | 173.4 | 0 | 0 | 0 | 111 | R719 L722 I723 L726 I767 E768 V771 I775 | R719-I773 HydrophobicContact CB-CG2 4.03Å; R719-I773 HydrophobicContact CG-CG2 4.41Å; L722-I773 HydrophobicContact CD2-CD1 4.28Å; I723-I773 HydrophobicContact CD1-CB 3.77Å; I723-I773 HydrophobicContact CD1-CG2 3.74Å; I723-I773 HydrophobicContact CG1-CB 3.72Å; I723-I773 HydrophobicContact CG1-CG2 3.66Å; L726-I773 HydrophobicContact CD1-CD1 4.02Å; I767-I773 HydrophobicContact CB-CD1 4.45Å; I767-I773 HydrophobicContact CG2-CD1 3.7Å; I767-I773 HydrophobicContact CG2-CG1 4.47Å; E768-I773 VanDerWaalsContact OE1-O 3.13Å; V771-I773 HydrophobicContact CB-CG2 4.44Å; V771-I773 HydrophobicContact CG1-CG2 3.82Å; V771-I773 PolarHBondContact O-N 3.06Å; I773-I775 HydrophobicContact CD1-CD1 3.54Å; I773-I775 HydrophobicContact CD1-CG1 4.15Å; I773-I775 HydrophobicContact CG1-CD1 3.99Å; I773-I775 HydrophobicContact CG1-CG1 4.07Å; I773-I775 PolarHBondContact O-N 3.35Å | ||
| 774 | D | 93.3 | Very high | 94.2 | Very high | 97 Ų | 97 | 55.2 Ų | 55.2 | 52% | 0.519 | 29% | 0.294 | S | S | . | . | trans | -86.5 | 85.1 | 179.2 | 180 | 14.6 | 0 | 0 | 0 | 111.3 | V776 G777 L778 | D774-V776 VanDerWaalsContact C-N 3.31Å; D774-V776 PolarHBondContact OD1-N 3.07Å; D774-G777 PolarHBondContact OD1-N 3.49Å; D774-G777 WeakPolarHBondContact OD2-CA 3.32Å; D774-L778 PolarHBondContact O-N 3.03Å | ||
| 775 | I | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70.7 | -30.7 | 178.9 | -66.2 | -62.1 | 0 | 0 | 0 | 111.3 | L726 L764 Q765 E768 I773 L778 F779 | L726-I775 HydrophobicContact CD1-CD1 4.47Å; L764-I775 HydrophobicContact CB-CG2 4.19Å; Q765-I775 HydrophobicContact CG-CG2 4.14Å; E768-I775 HydrophobicContact CG-CB 4.01Å; E768-I775 HydrophobicContact CG-CG1 3.51Å; E768-I775 WeakPolarHBondContact OE1-CB 3.41Å; E768-I775 PolarHBondContact OE1-N 3.19Å; E768-I775 VanDerWaalsContact OE1-N 3.08Å; I773-I775 HydrophobicContact CD1-CD1 3.54Å; I773-I775 HydrophobicContact CD1-CG1 4.15Å; I773-I775 HydrophobicContact CG1-CD1 3.99Å; I773-I775 HydrophobicContact CG1-CG1 4.07Å; I773-I775 PolarHBondContact O-N 3.35Å; I775-L778 HydrophobicContact CD1-CD1 4.47Å; I775-L778 WeakPolarHBondContact O-CB 3.42Å; I775-L778 PolarHBondContact O-N 3.34Å; I775-F779 HydrophobicContact CG2-CD1 4.22Å; I775-F779 HydrophobicContact CG2-CD2 4.11Å; I775-F779 HydrophobicContact CG2-CE1 3.62Å; I775-F779 HydrophobicContact CG2-CE2 3.51Å; I775-F779 HydrophobicContact CG2-CG 4.44Å; I775-F779 HydrophobicContact CG2-CZ 3.21Å; I775-F779 WeakPolarHBondContact O-CG 3.47Å; I775-F779 PolarHBondContact O-N 3.47Å |
| 776 | V | 94.9 | Very high | 94.3 | Very high | 76 Ų | 76 | 52.6 Ų | 52.6 | 46% | 0.461 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 177.1 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | D774 L778 F779 N780 | D774-V776 VanDerWaalsContact C-N 3.31Å; D774-V776 PolarHBondContact OD1-N 3.07Å; V776-L778 VanDerWaalsContact C-N 3.3Å; V776-L778 PolarHBondContact O-N 2.98Å; V776-F779 PolarHBondContact O-N 3.33Å; V776-N780 PolarHBondContact O-N 3.39Å; V776-N780 PolarHBondContact O-ND2 3.43Å |
| 777 | G | 95.7 | Very high | 94.5 | Very high | 25 Ų | 25 | 50.4 Ų | 50.4 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D774 N780 N781 | D774-G777 PolarHBondContact OD1-N 3.49Å; D774-G777 WeakPolarHBondContact OD2-CA 3.32Å; G777-N780 PolarHBondContact O-N 3Å; G777-N781 WeakPolarHBondContact O-CB 3.25Å; G777-N781 PolarHBondContact O-N 3.29Å |
| 778 | L | 96.5 | Very high | 94.6 | Very high | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.052 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 174.6 | -178.3 | 157.6 | 0 | 0 | 0 | 111.8 | L726 F730 L764 D774 I775 V776 N781 V782 | L726-L778 HydrophobicContact CB-CD1 3.7Å; F730-L778 HydrophobicContact CD1-CD2 3.72Å; F730-L778 HydrophobicContact CE1-CD2 4.4Å; F730-L778 HydrophobicContact CG-CD2 4.48Å; L764-L778 HydrophobicContact CD1-CD2 4.23Å; D774-L778 PolarHBondContact O-N 3.03Å; I775-L778 HydrophobicContact CD1-CD1 4.47Å; I775-L778 WeakPolarHBondContact O-CB 3.42Å; I775-L778 PolarHBondContact O-N 3.34Å; V776-L778 VanDerWaalsContact C-N 3.3Å; V776-L778 PolarHBondContact O-N 2.98Å; L778-N781 PolarHBondContact O-N 2.79Å; L778-V782 HydrophobicContact CD2-CG2 4.35Å; L778-V782 WeakPolarHBondContact O-CG2 3.42Å; L778-V782 PolarHBondContact O-N 2.96Å |
| 779 | F | 96.9 | Very high | 94.7 | Very high | 10 Ų | 10 | 54.9 Ų | 54.9 | 4% | 0.044 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -46.7 | 177.4 | -65.7 | -21.5 | 0 | 0 | 0 | 112.2 | F730 M761 L764 Q765 I775 V776 N781 V782 L783 | F730-F779 HydrophobicContact CD1-CD1 4.34Å; F730-F779 AromaticContact CE1-CD1 3.72Å; F730-F779 HydrophobicContact CE1-CD1 3.72Å; F730-F779 HydrophobicContact CE1-CE1 4.18Å; F730-F779 HydrophobicContact CZ-CD1 4.34Å; F730-F779 HydrophobicContact CZ-CE1 4.49Å; M761-F779 HydrophobicContact CB-CE1 4.08Å; M761-F779 HydrophobicContact CB-CE2 4.05Å; M761-F779 HydrophobicContact CB-CZ 3.63Å; M761-F779 HydrophobicContact CE-CB 4.44Å; M761-F779 HydrophobicContact CE-CD1 4.42Å; M761-F779 HydrophobicContact CE-CD2 3.6Å; M761-F779 HydrophobicContact CE-CE2 3.81Å; M761-F779 HydrophobicContact CE-CG 3.93Å; M761-F779 HydrophobicContact CE-CZ 4.33Å; M761-F779 HydrophobicContact CG-CD1 4.24Å; M761-F779 HydrophobicContact CG-CE1 3.85Å; M761-F779 HydrophobicContact CG-CE2 4.3Å; M761-F779 HydrophobicContact CG-CZ 3.89Å; M761-F779 WeakPolarHBondContact O-CZ 3.36Å; L764-F779 HydrophobicContact CB-CE1 3.88Å; L764-F779 HydrophobicContact CB-CZ 3.91Å; L764-F779 HydrophobicContact CD1-CE1 3.69Å; L764-F779 HydrophobicContact CG-CE1 4.44Å; Q765-F779 HydrophobicContact CG-CE2 3.64Å; Q765-F779 HydrophobicContact CG-CZ 3.9Å; I775-F779 HydrophobicContact CG2-CD1 4.22Å; I775-F779 HydrophobicContact CG2-CD2 4.11Å; I775-F779 HydrophobicContact CG2-CE1 3.62Å; I775-F779 HydrophobicContact CG2-CE2 3.51Å; I775-F779 HydrophobicContact CG2-CG 4.44Å; I775-F779 HydrophobicContact CG2-CZ 3.21Å; I775-F779 WeakPolarHBondContact O-CG 3.47Å; I775-F779 PolarHBondContact O-N 3.47Å; V776-F779 PolarHBondContact O-N 3.33Å; F779-N781 VanDerWaalsContact C-N 3.25Å; F779-N781 PolarHBondContact O-N 2.97Å; F779-V782 PolarHBondContact O-N 3.44Å; F779-L783 HydrophobicContact CB-CD1 4.18Å; F779-L783 VanDerWaalsContact O-CB 3.23Å; F779-L783 WeakPolarHBondContact O-CB 3.46Å; F779-L783 WeakPolarHBondContact O-CG 3.5Å; F779-L783 PolarHBondContact O-N 3.3Å |
| 780 | N | 95.6 | Very high | 95 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 54% | 0.54 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 178.8 | -72 | -28.7 | 0 | 0 | 0 | 111.3 | V776 G777 S784 | V776-N780 PolarHBondContact O-N 3.39Å; V776-N780 PolarHBondContact O-ND2 3.43Å; G777-N780 PolarHBondContact O-N 3Å; N780-S784 WeakPolarHBondContact O-CB 3.32Å; N780-S784 PolarHBondContact O-N 3.34Å; N780-S784 PolarHBondContact O-OG 3.41Å |
| 781 | N | 95.3 | Very high | 95.2 | Very high | 102 Ų | 102 | 49.4 Ų | 49.4 | 55% | 0.545 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.2 | -51.6 | 178.3 | -169.5 | -15.2 | 0 | 0 | 0 | 111.9 | G777 L778 F779 Q785 | G777-N781 WeakPolarHBondContact O-CB 3.25Å; G777-N781 PolarHBondContact O-N 3.29Å; L778-N781 PolarHBondContact O-N 2.79Å; F779-N781 VanDerWaalsContact C-N 3.25Å; F779-N781 PolarHBondContact O-N 2.97Å; N781-Q785 WeakPolarHBondContact O-CG 3.44Å; N781-Q785 PolarHBondContact O-NE2 3.44Å; N781-Q785 PolarHBondContact OD1-NE2 2.52Å |
| 782 | V | 96.9 | Very high | 95.2 | Very high | 6 Ų | 6 | 53.6 Ų | 53.6 | 4% | 0.036 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -72.6 | -47.9 | -174.6 | 175.4 | 0 | 0 | 0 | 0 | 112 | F730 N731 I734 L778 F779 S784 Q785 Q786 | F730-V782 HydrophobicContact CB-CG1 4.48Å; F730-V782 HydrophobicContact CD1-CB 3.73Å; F730-V782 HydrophobicContact CD1-CG1 3.54Å; F730-V782 HydrophobicContact CD1-CG2 4.03Å; F730-V782 HydrophobicContact CE1-CB 4.16Å; F730-V782 HydrophobicContact CE1-CG1 4.01Å; F730-V782 HydrophobicContact CG-CG1 4.14Å; N731-V782 HydrophobicContact CB-CG1 3.89Å; I734-V782 HydrophobicContact CD1-CG1 3.69Å; L778-V782 HydrophobicContact CD2-CG2 4.35Å; L778-V782 WeakPolarHBondContact O-CG2 3.42Å; L778-V782 PolarHBondContact O-N 2.96Å; F779-V782 PolarHBondContact O-N 3.44Å; V782-S784 VanDerWaalsContact C-N 3.34Å; V782-S784 PolarHBondContact O-N 3.35Å; V782-Q785 WeakPolarHBondContact O-CB 3.38Å; V782-Q785 PolarHBondContact O-N 3.49Å; V782-Q786 PolarHBondContact O-N 2.72Å |
| 783 | L | 96.7 | Very high | 95.4 | Very high | 53 Ų | 53 | 53.7 Ų | 53.7 | 28% | 0.277 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.7 | -35.9 | -176.1 | -64.2 | 174.5 | 0 | 0 | 0 | 111.7 | F730 I734 V757 M761 F779 Q785 Q786 T787 | F730-L783 HydrophobicContact CE1-CD2 4.19Å; F730-L783 HydrophobicContact CE1-CG 4.27Å; F730-L783 HydrophobicContact CZ-CD2 4.09Å; I734-L783 HydrophobicContact CD1-CD2 3.77Å; V757-L783 HydrophobicContact CG1-CD2 4.31Å; M761-L783 HydrophobicContact CE-CD1 3.86Å; M761-L783 HydrophobicContact SD-CD1 3.93Å; F779-L783 HydrophobicContact CB-CD1 4.18Å; F779-L783 VanDerWaalsContact O-CB 3.23Å; F779-L783 WeakPolarHBondContact O-CB 3.46Å; F779-L783 WeakPolarHBondContact O-CG 3.5Å; F779-L783 PolarHBondContact O-N 3.3Å; L783-Q785 VanDerWaalsContact C-N 3.27Å; L783-Q785 PolarHBondContact O-N 3.36Å; L783-Q786 PolarHBondContact O-N 3.33Å; L783-Q786 VanDerWaalsContact O-N 3.08Å; L783-T787 WeakPolarHBondContact O-CG2 3.49Å; L783-T787 PolarHBondContact O-N 3.32Å |
| 784 | S | 95.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 55 Ų | 55 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -37.5 | 175.3 | -62.3 | 0 | 0 | 0 | 0 | 112 | N780 V782 Q786 T787 | N780-S784 WeakPolarHBondContact O-CB 3.32Å; N780-S784 PolarHBondContact O-N 3.34Å; N780-S784 PolarHBondContact O-OG 3.41Å; V782-S784 VanDerWaalsContact C-N 3.34Å; V782-S784 PolarHBondContact O-N 3.35Å; S784-Q786 VanDerWaalsContact C-N 3.29Å; S784-Q786 PolarHBondContact O-N 3.26Å; S784-T787 PolarHBondContact O-N 3.46Å; S784-T787 PolarHBondContact O-OG1 2.89Å |
| 785 | Q | 96.3 | Very high | 95.6 | Very high | 29 Ų | 29 | 54.7 Ų | 54.7 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.9 | -37.3 | 175.4 | -67.9 | 174.8 | 56.3 | 0 | 0 | 111.7 | N781 V782 L783 T787 Q788 D791 C792 T797 | N781-Q785 WeakPolarHBondContact O-CG 3.44Å; N781-Q785 PolarHBondContact O-NE2 3.44Å; N781-Q785 PolarHBondContact OD1-NE2 2.52Å; V782-Q785 WeakPolarHBondContact O-CB 3.38Å; V782-Q785 PolarHBondContact O-N 3.49Å; L783-Q785 VanDerWaalsContact C-N 3.27Å; L783-Q785 PolarHBondContact O-N 3.36Å; Q785-T787 PolarHBondContact O-N 2.92Å; Q785-Q788 WeakPolarHBondContact O-CB 3.45Å; Q785-Q788 PolarHBondContact O-N 3.42Å; Q785-D791 HydrophobicContact CB-CB 4.24Å; Q785-C792 PolarHBondContact OE1-SG 3.35Å; Q785-T797 WeakPolarHBondContact O-CG2 3.45Å |
| 786 | Q | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.009 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.7 | -17.9 | 180 | -64 | -59.6 | -35.4 | 0 | 0 | 114 | N731 I734 V782 L783 S784 Q788 L798 T799 | N731-Q786 PolarHBondContact OD1-NE2 3.22Å; I734-Q786 HydrophobicContact CD1-CG 4.24Å; I734-Q786 HydrophobicContact CG2-CG 4.01Å; V782-Q786 PolarHBondContact O-N 2.72Å; L783-Q786 PolarHBondContact O-N 3.33Å; L783-Q786 VanDerWaalsContact O-N 3.08Å; S784-Q786 VanDerWaalsContact C-N 3.29Å; S784-Q786 PolarHBondContact O-N 3.26Å; Q786-Q788 VanDerWaalsContact C-N 3.35Å; Q786-L798 HydrophobicContact CB-CD1 4.31Å; Q786-L798 HydrophobicContact CB-CG 4.22Å; Q786-L798 HydrophobicContact CG-CG 4.48Å; Q786-T799 PolarHBondContact O-N 3.03Å; Q786-T799 PolarHBondContact O-OG1 3.25Å |
| 787 | T | 95.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 54.4 Ų | 54.4 | 9% | 0.092 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -15.7 | 173.5 | 75.7 | 0 | 0 | 0 | 0 | 113.7 | L783 S784 Q785 T799 L858 S859 G862 | L783-T787 WeakPolarHBondContact O-CG2 3.49Å; L783-T787 PolarHBondContact O-N 3.32Å; S784-T787 PolarHBondContact O-N 3.46Å; S784-T787 PolarHBondContact O-OG1 2.89Å; Q785-T787 PolarHBondContact O-N 2.92Å; T787-T799 WeakPolarHBondContact CA-OG1 3.49Å; T787-T799 PolarHBondContact O-OG1 3.25Å; T787-L858 WeakPolarHBondContact CB-O 3.32Å; T787-S859 WeakPolarHBondContact CB-OG 3.14Å; T787-S859 WeakPolarHBondContact CG2-OG 3.31Å; T787-G862 WeakPolarHBondContact O-CA 3.46Å; T787-G862 PolarHBondContact O-N 3.35Å |
| 788 | Q | 96.1 | Very high | 95.7 | Very high | 87 Ų | 87 | 53.4 Ų | 53.4 | 41% | 0.407 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -91 | 168.4 | 176.7 | -61.2 | -58.1 | -45.7 | 0 | 0 | 110.3 | Q785 Q786 T797 T799 | Q785-Q788 WeakPolarHBondContact O-CB 3.45Å; Q785-Q788 PolarHBondContact O-N 3.42Å; Q786-Q788 VanDerWaalsContact C-N 3.35Å; Q788-T797 VanDerWaalsContact O-CB 3.26Å; Q788-T797 WeakPolarHBondContact O-CB 3.42Å; Q788-T797 WeakPolarHBondContact O-CG2 2.95Å; Q788-T797 PolarHBondContact O-OG1 3.33Å; Q788-T799 WeakPolarHBondContact O-CB 3.45Å |
| 789 | H | 95.1 | Very high | 95.8 | Very high | 88 Ų | 88 | 53 Ų | 53 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -76.4 | -22.2 | 178.1 | 67.3 | -75.7 | 0 | 0 | 0 | 113.9 | T797 S800 F865 | H789-T797 PolarHBondContact O-OG1 3.01Å; H789-S800 WeakPolarHBondContact O-CB 3.47Å; H789-F865 HydrophobicContact CB-CD2 4.24Å; H789-F865 HydrophobicContact CB-CE1 4.27Å; H789-F865 HydrophobicContact CB-CE2 3.63Å; H789-F865 HydrophobicContact CB-CZ 3.65Å |
| 790 | Q | 96.5 | Very high | 95.8 | Very high | 102 Ų | 102 | 53.1 Ų | 53.1 | 48% | 0.477 | 28% | 0.284 | S | S | . | . | B | Isolated β-bridge | trans | -140.9 | 149 | 175.7 | -76 | 179.9 | -29.2 | 0 | 0 | 109.2 | D795 | Q790-D795 VanDerWaalsContact CA-O 3.31Å; Q790-D795 WeakPolarHBondContact CA-O 3.31Å |
| 791 | D | 95.3 | Very high | 95.9 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | trans | -83.6 | -178.4 | 173.5 | 78.9 | 2 | 0 | 0 | 0 | 112 | N731 Q785 Y793 G794 D795 T797 | N731-D791 PolarHBondContact ND2-OD2 3.49Å; Q785-D791 HydrophobicContact CB-CB 4.24Å; D791-Y793 PolarHBondContact O-N 3.31Å; D791-Y793 WeakPolarHBondContact OD1-CA 3.36Å; D791-Y793 WeakPolarHBondContact OD1-CB 3.49Å; D791-Y793 PolarHBondContact OD1-N 2.87Å; D791-G794 PolarHBondContact O-N 3.46Å; D791-G794 VanDerWaalsContact O-N 3.14Å; D791-G794 PolarHBondContact OD1-N 2.89Å; D791-D795 PolarHBondContact N-O 3.14Å; D791-D795 PolarHBondContact OD1-N 2.61Å; D791-T797 HydrophobicContact CB-CG2 4.24Å | ||
| 792 | C | 92.9 | Very high | 96 | Very high | 89 Ų | 89 | 43.8 Ų | 43.8 | 60% | 0.601 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -10.5 | -179 | 67.6 | 0 | 0 | 0 | 0 | 114.5 | Q785 | Q785-C792 PolarHBondContact OE1-SG 3.35Š|
| 793 | Y | 92.7 | Very high | 96.1 | Very high | 141 Ų | 141 | 43.7 Ų | 43.7 | 55% | 0.553 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -5.9 | 175.7 | -54.8 | -74.2 | 0 | 0 | 0 | 112.6 | D791 | D791-Y793 PolarHBondContact O-N 3.31Å; D791-Y793 WeakPolarHBondContact OD1-CA 3.36Å; D791-Y793 WeakPolarHBondContact OD1-CB 3.49Å; D791-Y793 PolarHBondContact OD1-N 2.87Å |
| 794 | G | 94.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 44.2 Ų | 44.2 | 41% | 0.412 | 23% | 0.232 | S | C | . | . | S | Bend | trans | 86.2 | 9.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | D791 | D791-G794 PolarHBondContact O-N 3.46Å; D791-G794 VanDerWaalsContact O-N 3.14Å; D791-G794 PolarHBondContact OD1-N 2.89Å |
| 795 | D | 95.6 | Very high | 96.2 | Very high | 89 Ų | 89 | 41 Ų | 41 | 48% | 0.476 | 21% | 0.209 | S | C | . | . | trans | -82.9 | 159 | 179 | -72.2 | -38.4 | 0 | 0 | 0 | 111.7 | Q790 D791 | Q790-D795 VanDerWaalsContact CA-O 3.31Å; Q790-D795 WeakPolarHBondContact CA-O 3.31Å; D791-D795 PolarHBondContact N-O 3.14Å; D791-D795 PolarHBondContact OD1-N 2.61Å | ||
| 796 | E | 94.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 39.6 Ų | 39.6 | 33% | 0.332 | 20% | 0.203 | S | C | . | . | B | Isolated β-bridge | trans | -70.6 | 140.9 | 178.7 | -60.9 | -163.2 | 117.3 | 0 | 0 | 112.1 | V735 S800 I801 R804 | V735-E796 WeakPolarHBondContact CG2-O 3.26Å; E796-S800 WeakPolarHBondContact CB-OG 3.49Å; E796-I801 HydrophobicContact CB-CD1 4.46Å; E796-I801 HydrophobicContact CB-CG1 4.31Å; E796-R804 IonicContact OE1-CZ 3.99Å; E796-R804 IonicContact OE1-NH1 2.77Å; E796-R804 PolarHBondContact OE1-NH1 3.35Å; E796-R804 IonicContact OE1-NH2 2.65Å; E796-R804 PolarHBondContact OE1-NH2 2.99Å; E796-R804 IonicContact OE2-NH1 3.62Å; E796-R804 PolarHBondContact OE2-NH1 3.21Å |
| 797 | T | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -107.5 | 170.1 | -179.2 | 63.5 | 0 | 0 | 0 | 0 | 112.4 | Q785 Q788 H789 D791 T799 S800 I801 | Q785-T797 WeakPolarHBondContact O-CG2 3.45Å; Q788-T797 VanDerWaalsContact O-CB 3.26Å; Q788-T797 WeakPolarHBondContact O-CB 3.42Å; Q788-T797 WeakPolarHBondContact O-CG2 2.95Å; Q788-T797 PolarHBondContact O-OG1 3.33Å; H789-T797 PolarHBondContact O-OG1 3.01Å; D791-T797 HydrophobicContact CB-CG2 4.24Å; T797-T799 PolarHBondContact O-N 2.92Å; T797-T799 PolarHBondContact OG1-N 3.43Å; T797-S800 PolarHBondContact N-OG 3.45Å; T797-S800 PolarHBondContact O-N 3.16Å; T797-S800 VanDerWaalsContact O-N 3.1Å; T797-S800 PolarHBondContact O-OG 3.1Å; T797-S800 PolarHBondContact OG1-N 3.22Å; T797-I801 WeakPolarHBondContact O-CG1 3.31Å; T797-I801 PolarHBondContact O-N 3.23Å | ||
| 798 | L | 97.1 | Very high | 96.1 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -46.6 | -47.4 | 168.9 | -64.1 | -170.1 | 0 | 0 | 0 | 112.4 | I734 T738 L753 Q786 S800 I801 Y802 L857 L858 | I734-L798 HydrophobicContact CG2-CD1 3.56Å; I734-L798 HydrophobicContact CG2-CD2 3.71Å; I734-L798 HydrophobicContact CG2-CG 3.65Å; T738-L798 HydrophobicContact CG2-CD2 3.17Å; L753-L798 HydrophobicContact CD2-CD1 4.28Å; L753-L798 HydrophobicContact CD2-CD2 3.85Å; Q786-L798 HydrophobicContact CB-CD1 4.31Å; Q786-L798 HydrophobicContact CB-CG 4.22Å; Q786-L798 HydrophobicContact CG-CG 4.48Å; L798-S800 PolarHBondContact O-N 3.36Å; L798-I801 PolarHBondContact O-N 2.88Å; L798-Y802 WeakPolarHBondContact O-CD2 3.45Å; L798-Y802 PolarHBondContact O-N 3.08Å; L798-L857 HydrophobicContact CD1-CD2 4.2Å; L798-L858 HydrophobicContact CB-CD2 4.13Å |
| 799 | T | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -48 | -179.4 | -62.8 | 0 | 0 | 0 | 0 | 111.4 | Q786 T787 Q788 T797 T803 F865 | Q786-T799 PolarHBondContact O-N 3.03Å; Q786-T799 PolarHBondContact O-OG1 3.25Å; T787-T799 WeakPolarHBondContact CA-OG1 3.49Å; T787-T799 PolarHBondContact O-OG1 3.25Å; Q788-T799 WeakPolarHBondContact O-CB 3.45Å; T797-T799 PolarHBondContact O-N 2.92Å; T797-T799 PolarHBondContact OG1-N 3.43Å; T799-T803 WeakPolarHBondContact O-CB 3.21Å; T799-T803 PolarHBondContact O-N 2.93Å; T799-T803 VanDerWaalsContact O-N 3.08Å; T799-T803 PolarHBondContact O-OG1 3.06Å; T799-F865 HydrophobicContact CG2-CB 4Å; T799-F865 HydrophobicContact CG2-CD1 3.54Å; T799-F865 HydrophobicContact CG2-CE1 4.29Å; T799-F865 HydrophobicContact CG2-CG 3.98Å |
| 800 | S | 97 | Very high | 96.1 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 9% | 0.091 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -66.8 | -40.5 | 179.6 | 70.9 | 0 | 0 | 0 | 0 | 112.9 | H789 E796 T797 L798 R804 | H789-S800 WeakPolarHBondContact O-CB 3.47Å; E796-S800 WeakPolarHBondContact CB-OG 3.49Å; T797-S800 PolarHBondContact N-OG 3.45Å; T797-S800 PolarHBondContact O-N 3.16Å; T797-S800 VanDerWaalsContact O-N 3.1Å; T797-S800 PolarHBondContact O-OG 3.1Å; T797-S800 PolarHBondContact OG1-N 3.22Å; L798-S800 PolarHBondContact O-N 3.36Å; S800-R804 WeakPolarHBondContact O-CB 3.34Å; S800-R804 PolarHBondContact O-N 2.85Å |
| 801 | I | 97.4 | Very high | 96.2 | Very high | 7 Ų | 7 | 33.1 Ų | 33.1 | 4% | 0.036 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -69.3 | -52.7 | -176.2 | -67.3 | 167.5 | 0 | 0 | 0 | 110.6 | V735 T738 Y740 I747 E796 T797 L798 R804 W805 | V735-I801 HydrophobicContact CG1-CD1 3.82Å; T738-I801 HydrophobicContact CG2-CD1 4.45Å; Y740-I801 HydrophobicContact CD1-CG2 3.77Å; Y740-I801 HydrophobicContact CG-CG2 3.76Å; I747-I801 HydrophobicContact CD1-CG2 3.88Å; E796-I801 HydrophobicContact CB-CD1 4.46Å; E796-I801 HydrophobicContact CB-CG1 4.31Å; T797-I801 WeakPolarHBondContact O-CG1 3.31Å; T797-I801 PolarHBondContact O-N 3.23Å; L798-I801 PolarHBondContact O-N 2.88Å; I801-R804 PolarHBondContact O-N 2.8Å; I801-W805 WeakPolarHBondContact O-CB 3.39Å; I801-W805 PolarHBondContact O-N 3.03Å |
| 802 | Y | 98 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 178.9 | -83.9 | -75.8 | 0 | 0 | 0 | 111.7 | T738 I747 A748 P750 L753 L798 R804 W805 Y806 L854 | T738-Y802 HydrophobicContact CG2-CE2 4.24Å; I747-Y802 HydrophobicContact CD1-CD1 3.62Å; I747-Y802 HydrophobicContact CD1-CD2 4.44Å; I747-Y802 HydrophobicContact CD1-CE1 3.5Å; I747-Y802 HydrophobicContact CD1-CE2 4.33Å; I747-Y802 HydrophobicContact CD1-CG 4.11Å; I747-Y802 HydrophobicContact CG1-CE1 3.96Å; A748-Y802 PolarHBondContact O-OH 3.43Å; P750-Y802 HydrophobicContact CG-CE1 4.22Å; L753-Y802 HydrophobicContact CD2-CE2 3.51Å; L753-Y802 WeakPolarHBondContact CD2-OH 3.23Å; L798-Y802 WeakPolarHBondContact O-CD2 3.45Å; L798-Y802 PolarHBondContact O-N 3.08Å; Y802-R804 VanDerWaalsContact C-N 3.29Å; Y802-R804 PolarHBondContact O-N 3.19Å; Y802-W805 PolarHBondContact O-N 3.21Å; Y802-Y806 HydrophobicContact CD1-CD2 4.39Å; Y802-Y806 AromaticContact CD1-CE2 3.8Å; Y802-Y806 HydrophobicContact CD1-CE2 3.8Å; Y802-Y806 VanDerWaalsContact O-CD2 3.23Å; Y802-Y806 WeakPolarHBondContact O-CD2 3.44Å; Y802-Y806 PolarHBondContact O-N 3.24Å; Y802-L854 HydrophobicContact CD1-CD1 3.79Å; Y802-L854 HydrophobicContact CD2-CD1 4.12Å; Y802-L854 HydrophobicContact CE1-CD1 4.3Å; Y802-L854 HydrophobicContact CG-CD1 3.68Å |
| 803 | T | 97.8 | Very high | 96.2 | Very high | 5 Ų | 5 | 38.6 Ų | 38.6 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.6 | -46.5 | 176 | -61.9 | 0 | 0 | 0 | 0 | 111 | T799 L807 F865 M866 R869 | T799-T803 WeakPolarHBondContact O-CB 3.21Å; T799-T803 PolarHBondContact O-N 2.93Å; T799-T803 VanDerWaalsContact O-N 3.08Å; T799-T803 PolarHBondContact O-OG1 3.06Å; T803-L807 HydrophobicContact CG2-CD1 3.76Å; T803-L807 WeakPolarHBondContact O-CB 3.39Å; T803-L807 WeakPolarHBondContact O-CD1 3.42Å; T803-L807 VanDerWaalsContact O-CG 3.25Å; T803-L807 WeakPolarHBondContact O-CG 3.39Å; T803-L807 PolarHBondContact O-N 2.96Å; T803-L807 VanDerWaalsContact O-N 3.15Å; T803-F865 HydrophobicContact CG2-CD1 4.26Å; T803-F865 HydrophobicContact CG2-CE1 4.01Å; T803-M866 HydrophobicContact CG2-CB 4.35Å; T803-M866 HydrophobicContact CG2-CG 4.12Å; T803-R869 HydrophobicContact CG2-CB 3.97Å; T803-R869 HydrophobicContact CG2-CG 3.98Å |
| 804 | R | 96.6 | Very high | 96.3 | Very high | 64 Ų | 64 | 31.9 Ų | 31.9 | 24% | 0.242 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.4 | -47.8 | 175.7 | -176.3 | -177.2 | -61.4 | 126.5 | 4.8 | 111.9 | E796 S800 I801 Y802 L807 E808 | E796-R804 IonicContact OE1-CZ 3.99Å; E796-R804 IonicContact OE1-NH1 2.77Å; E796-R804 PolarHBondContact OE1-NH1 3.35Å; E796-R804 IonicContact OE1-NH2 2.65Å; E796-R804 PolarHBondContact OE1-NH2 2.99Å; E796-R804 IonicContact OE2-NH1 3.62Å; E796-R804 PolarHBondContact OE2-NH1 3.21Å; S800-R804 WeakPolarHBondContact O-CB 3.34Å; S800-R804 PolarHBondContact O-N 2.85Å; I801-R804 PolarHBondContact O-N 2.8Å; Y802-R804 VanDerWaalsContact C-N 3.29Å; Y802-R804 PolarHBondContact O-N 3.19Å; R804-L807 PolarHBondContact O-N 2.81Å; R804-E808 HydrophobicContact CG-CG 4.18Å; R804-E808 WeakPolarHBondContact CG-OE2 3.41Å; R804-E808 WeakPolarHBondContact O-CB 2.99Å; R804-E808 PolarHBondContact O-N 3.38Å |
| 805 | W | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | -176.8 | -174 | 90 | 0 | 0 | 0 | 112.1 | Y740 Q745 I747 I801 Y802 L807 V809 L810 L840 H845 | Y740-W805 AromaticContact CE2-CD1 3.69Å; Q745-W805 PolarHBondContact O-NE1 3.08Å; I747-W805 HydrophobicContact CB-CD2 4.45Å; I747-W805 HydrophobicContact CB-CG 4.32Å; I747-W805 HydrophobicContact CD1-CB 4.05Å; I747-W805 HydrophobicContact CD1-CG 4.09Å; I747-W805 HydrophobicContact CG2-CD2 3.57Å; I747-W805 HydrophobicContact CG2-CE3 4.08Å; I747-W805 HydrophobicContact CG2-CG 3.93Å; I747-W805 HydrophobicContact CG2-CH2 4.21Å; I747-W805 HydrophobicContact CG2-CZ2 3.7Å; I747-W805 HydrophobicContact CG2-CZ3 4.37Å; I801-W805 WeakPolarHBondContact O-CB 3.39Å; I801-W805 PolarHBondContact O-N 3.03Å; Y802-W805 PolarHBondContact O-N 3.21Å; W805-L807 VanDerWaalsContact C-N 3.33Å; W805-L807 PolarHBondContact O-N 2.9Å; W805-V809 HydrophobicContact CD2-CB 4.38Å; W805-V809 HydrophobicContact CG-CB 4.25Å; W805-V809 HydrophobicContact CG-CG2 4.27Å; W805-V809 HydrophobicContact CZ2-CG1 4.35Å; W805-V809 WeakPolarHBondContact O-CA 3.06Å; W805-V809 WeakPolarHBondContact O-CB 3.29Å; W805-V809 PolarHBondContact O-N 3.1Å; W805-L810 HydrophobicContact CE3-CB 4.39Å; W805-L810 HydrophobicContact CH2-CB 4.28Å; W805-L810 HydrophobicContact CH2-CD1 3.83Å; W805-L810 HydrophobicContact CZ3-CB 3.97Å; W805-L810 HydrophobicContact CZ3-CD1 3.69Å; W805-L810 HydrophobicContact CZ3-CG 4.49Å; W805-L810 PolarHBondContact O-N 2.94Å; W805-L840 HydrophobicContact CH2-CD1 4.23Å; W805-L840 HydrophobicContact CZ2-CD1 3.82Å; W805-L840 HydrophobicContact CZ2-CD2 4.08Å; W805-H845 HydrophobicContact CH2-CB 3.74Å; W805-H845 AromaticContact CH2-CD2 3.57Å; W805-H845 AromaticContact CH2-CG 3.4Å; W805-H845 AromaticContact CH2-ND1 3.73Å; W805-H845 AromaticContact CH2-NE2 3.96Å; W805-H845 HydrophobicContact CZ3-CB 3.86Å; W805-H845 AromaticContact CZ3-CG 3.93Å |
| 806 | Y | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 30.6 Ų | 30.6 | 0% | 0.004 | 14% | 0.142 | C | C | . | . | I | π-helix | trans | -62 | -40.4 | 177.5 | -80.4 | -73.9 | 0 | 0 | 0 | 112.3 | Y802 L810 L811 H845 T846 L854 M866 F941 | Y802-Y806 HydrophobicContact CD1-CD2 4.39Å; Y802-Y806 AromaticContact CD1-CE2 3.8Å; Y802-Y806 HydrophobicContact CD1-CE2 3.8Å; Y802-Y806 VanDerWaalsContact O-CD2 3.23Å; Y802-Y806 WeakPolarHBondContact O-CD2 3.44Å; Y802-Y806 PolarHBondContact O-N 3.24Å; Y806-L810 HydrophobicContact CD1-CB 4.23Å; Y806-L810 HydrophobicContact CD1-CD1 4.07Å; Y806-L810 HydrophobicContact CD1-CD2 4.34Å; Y806-L810 HydrophobicContact CD1-CG 4.44Å; Y806-L810 HydrophobicContact CE1-CD1 4.02Å; Y806-L811 VanDerWaalsContact O-CB 3.3Å; Y806-L811 WeakPolarHBondContact O-CB 3.46Å; Y806-L811 VanDerWaalsContact O-CG 3.29Å; Y806-L811 WeakPolarHBondContact O-CG 3.28Å; Y806-L811 PolarHBondContact O-N 3.41Å; Y806-H845 HydrophobicContact CE1-CB 4.48Å; Y806-H845 PolarHBondContact OH-O 3.24Å; Y806-T846 HydrophobicContact CE1-CG2 4.05Å; Y806-L854 HydrophobicContact CD2-CD2 4.13Å; Y806-L854 HydrophobicContact CE2-CD1 4.18Å; Y806-L854 HydrophobicContact CE2-CD2 3.35Å; Y806-L854 HydrophobicContact CE2-CG 4.41Å; Y806-M866 HydrophobicContact CD2-CE 3.99Å; Y806-M866 HydrophobicContact CD2-SD 4.47Å; Y806-F941 HydrophobicContact CD1-CD2 4.46Å; Y806-F941 HydrophobicContact CD1-CE1 4.31Å; Y806-F941 AromaticContact CD1-CE2 3.39Å; Y806-F941 HydrophobicContact CD1-CE2 3.39Å; Y806-F941 AromaticContact CD1-CZ 3.3Å; Y806-F941 HydrophobicContact CD1-CZ 3.3Å; Y806-F941 HydrophobicContact CD2-CZ 4.14Å; Y806-F941 AromaticContact CE1-CE2 3.61Å; Y806-F941 HydrophobicContact CE1-CE2 3.61Å; Y806-F941 AromaticContact CE1-CZ 3.77Å; Y806-F941 HydrophobicContact CE1-CZ 3.77Å; Y806-F941 HydrophobicContact CG-CE1 4.27Å; Y806-F941 HydrophobicContact CG-CE2 4.12Å; Y806-F941 AromaticContact CG-CZ 3.52Å; Y806-F941 HydrophobicContact CG-CZ 3.52Å |
| 807 | L | 96.3 | Very high | 95.8 | Very high | 28 Ų | 28 | 29.9 Ų | 29.9 | 15% | 0.147 | 14% | 0.137 | C | C | . | . | I | π-helix | trans | -70.6 | -50.3 | 179.2 | -73.9 | 171.3 | 0 | 0 | 0 | 113.2 | T803 R804 W805 L811 R869 L870 H873 | T803-L807 HydrophobicContact CG2-CD1 3.76Å; T803-L807 WeakPolarHBondContact O-CB 3.39Å; T803-L807 WeakPolarHBondContact O-CD1 3.42Å; T803-L807 VanDerWaalsContact O-CG 3.25Å; T803-L807 WeakPolarHBondContact O-CG 3.39Å; T803-L807 PolarHBondContact O-N 2.96Å; T803-L807 VanDerWaalsContact O-N 3.15Å; R804-L807 PolarHBondContact O-N 2.81Å; W805-L807 VanDerWaalsContact C-N 3.33Å; W805-L807 PolarHBondContact O-N 2.9Å; L807-L811 HydrophobicContact CD2-CD1 4.16Å; L807-R869 HydrophobicContact CD1-CB 3.81Å; L807-L870 HydrophobicContact CD2-CD2 3.46Å; L807-L870 VanDerWaalsContact CD2-CD2 3.46Å; L807-L870 HydrophobicContact CD2-CG 4.18Å; L807-L870 HydrophobicContact CG-CD2 4.39Å; L807-H873 VanDerWaalsContact CD2-CD2 3.48Å; L807-H873 WeakPolarHBondContact CD2-CD2 3.32Å |
| 808 | E | 94.5 | Very high | 95.5 | Very high | 113 Ų | 113 | 32.1 Ų | 32.1 | 53% | 0.528 | 15% | 0.148 | S | C | . | . | I | π-helix | trans | -93.1 | -23.5 | -166.8 | -62.5 | -178.1 | -175 | 0 | 0 | 113.4 | R804 R812 | R804-E808 HydrophobicContact CG-CG 4.18Å; R804-E808 WeakPolarHBondContact CG-OE2 3.41Å; R804-E808 WeakPolarHBondContact O-CB 2.99Å; R804-E808 PolarHBondContact O-N 3.38Å; E808-R812 WeakPolarHBondContact O-CB 3.33Å; E808-R812 WeakPolarHBondContact O-CD 3.38Å |
| 809 | V | 95.1 | Very high | 95.4 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -108.6 | -57.9 | -175.7 | -175.9 | 0 | 0 | 0 | 0 | 111 | Q745 W805 R813 L840 | Q745-V809 HydrophobicContact CB-CG1 3.89Å; Q745-V809 HydrophobicContact CB-CG2 4.22Å; Q745-V809 HydrophobicContact CG-CG2 4.42Å; W805-V809 HydrophobicContact CD2-CB 4.38Å; W805-V809 HydrophobicContact CG-CB 4.25Å; W805-V809 HydrophobicContact CG-CG2 4.27Å; W805-V809 HydrophobicContact CZ2-CG1 4.35Å; W805-V809 WeakPolarHBondContact O-CA 3.06Å; W805-V809 WeakPolarHBondContact O-CB 3.29Å; W805-V809 PolarHBondContact O-N 3.1Å; V809-R813 WeakPolarHBondContact O-CG 3.38Å; V809-R813 PolarHBondContact O-NH1 3.4Å; V809-L840 HydrophobicContact CG1-CD2 4.21Å |
| 810 | L | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.147 | C | C | . | . | I | π-helix | trans | -75.1 | -61 | -173.7 | -172.3 | 141.3 | 0 | 0 | 0 | 111.8 | W805 Y806 R812 R813 V814 H845 T846 | W805-L810 HydrophobicContact CE3-CB 4.39Å; W805-L810 HydrophobicContact CH2-CB 4.28Å; W805-L810 HydrophobicContact CH2-CD1 3.83Å; W805-L810 HydrophobicContact CZ3-CB 3.97Å; W805-L810 HydrophobicContact CZ3-CD1 3.69Å; W805-L810 HydrophobicContact CZ3-CG 4.49Å; W805-L810 PolarHBondContact O-N 2.94Å; Y806-L810 HydrophobicContact CD1-CB 4.23Å; Y806-L810 HydrophobicContact CD1-CD1 4.07Å; Y806-L810 HydrophobicContact CD1-CD2 4.34Å; Y806-L810 HydrophobicContact CD1-CG 4.44Å; Y806-L810 HydrophobicContact CE1-CD1 4.02Å; L810-R812 PolarHBondContact O-N 3.07Å; L810-R813 WeakPolarHBondContact O-CB 3.47Å; L810-R813 PolarHBondContact O-N 3.49Å; L810-V814 HydrophobicContact CD2-CG2 4.05Å; L810-V814 WeakPolarHBondContact O-CG2 3.23Å; L810-V814 PolarHBondContact O-N 3.42Å; L810-H845 HydrophobicContact CD1-CB 4.29Å; L810-T846 HydrophobicContact CD1-CG2 3.48Å; L810-T846 VanDerWaalsContact CD1-CG2 3.48Å; L810-T846 HydrophobicContact CD2-CG2 4.02Å; L810-T846 HydrophobicContact CG-CG2 4.41Å |
| 811 | L | 96.8 | Very high | 95.1 | Very high | 13 Ų | 13 | 32.3 Ų | 32.3 | 7% | 0.068 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.3 | -27.7 | -176.3 | -73.4 | 169.8 | 0 | 0 | 0 | 112.5 | Y806 L807 R813 V814 S815 L870 I938 F941 | Y806-L811 VanDerWaalsContact O-CB 3.3Å; Y806-L811 WeakPolarHBondContact O-CB 3.46Å; Y806-L811 VanDerWaalsContact O-CG 3.29Å; Y806-L811 WeakPolarHBondContact O-CG 3.28Å; Y806-L811 PolarHBondContact O-N 3.41Å; L807-L811 HydrophobicContact CD2-CD1 4.16Å; L811-R813 VanDerWaalsContact C-N 3.31Å; L811-R813 PolarHBondContact O-N 2.86Å; L811-V814 HydrophobicContact CD2-CG2 4.39Å; L811-V814 WeakPolarHBondContact O-CB 3.43Å; L811-V814 PolarHBondContact O-N 3.44Å; L811-S815 PolarHBondContact O-N 3.21Å; L811-L870 HydrophobicContact CD1-CD2 3.46Å; L811-L870 VanDerWaalsContact CD1-CD2 3.46Å; L811-I938 HydrophobicContact CD1-CG1 4.43Å; L811-F941 HydrophobicContact CD1-CD1 4.18Å; L811-F941 HydrophobicContact CD2-CB 3.94Å; L811-F941 HydrophobicContact CD2-CG 4.25Å |
| 812 | R | 94.7 | Very high | 95 | Very high | 175 Ų | 175 | 32 Ų | 32 | 66% | 0.66 | 14% | 0.144 | S | C | * | . | H | α-helix | trans | -62.8 | -37.4 | 172.3 | -165.7 | 167.6 | -175.2 | 164.1 | 0.4 | 112.4 | E808 L810 S815 T816 | E808-R812 WeakPolarHBondContact O-CB 3.33Å; E808-R812 WeakPolarHBondContact O-CD 3.38Å; L810-R812 PolarHBondContact O-N 3.07Å; R812-S815 PolarHBondContact O-N 3.28Å; R812-S815 PolarHBondContact O-OG 3.07Å; R812-T816 PolarHBondContact O-N 3Å; R812-T816 PolarHBondContact O-OG1 2.68Å |
| 813 | R | 94 | Very high | 94.6 | Very high | 43 Ų | 43 | 33.6 Ų | 33.6 | 16% | 0.162 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -73.5 | -34.8 | 175.8 | -71.4 | 177.5 | 172.8 | 73.7 | -5 | 112.2 | Q745 V809 L810 L811 S815 T816 Y817 Q818 F819 | Q745-R813 VanDerWaalsContact OE1-NH1 3.16Å; V809-R813 WeakPolarHBondContact O-CG 3.38Å; V809-R813 PolarHBondContact O-NH1 3.4Å; L810-R813 WeakPolarHBondContact O-CB 3.47Å; L810-R813 PolarHBondContact O-N 3.49Å; L811-R813 VanDerWaalsContact C-N 3.31Å; L811-R813 PolarHBondContact O-N 2.86Å; R813-S815 VanDerWaalsContact C-N 3.34Å; R813-T816 WeakPolarHBondContact CA-OG1 3.44Å; R813-T816 PolarHBondContact O-N 3.4Å; R813-T816 PolarHBondContact O-OG1 3.17Å; R813-Y817 PolarHBondContact O-N 3.23Å; R813-Q818 HydrophobicContact CB-CB 4.21Å; R813-Q818 WeakPolarHBondContact O-CB 3.46Å; R813-Q818 PolarHBondContact O-N 2.57Å; R813-Q818 VanDerWaalsContact O-N 3.07Å; R813-F819 HydrophobicContact CB-CD2 3.55Å; R813-F819 HydrophobicContact CB-CE2 3.56Å; R813-F819 HydrophobicContact CB-CG 4.21Å; R813-F819 HydrophobicContact CB-CZ 4.21Å; R813-F819 VanDerWaalsContact CD-CE2 3.42Å; R813-F819 HydrophobicContact CG-CE2 4.15Å |
| 814 | V | 95.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.8 | -48 | 170.5 | -171 | 0 | 0 | 0 | 0 | 110.1 | L810 L811 T816 Y817 F819 F828 E937 N1050 | L810-V814 HydrophobicContact CD2-CG2 4.05Å; L810-V814 WeakPolarHBondContact O-CG2 3.23Å; L810-V814 PolarHBondContact O-N 3.42Å; L811-V814 HydrophobicContact CD2-CG2 4.39Å; L811-V814 WeakPolarHBondContact O-CB 3.43Å; L811-V814 PolarHBondContact O-N 3.44Å; V814-T816 PolarHBondContact O-N 3.04Å; V814-Y817 WeakPolarHBondContact O-CA 3.44Å; V814-Y817 PolarHBondContact O-N 3Å; V814-F819 HydrophobicContact CG2-CB 3.94Å; V814-F819 HydrophobicContact CG2-CD2 4.36Å; V814-F828 HydrophobicContact CB-CE1 4.43Å; V814-F828 HydrophobicContact CG1-CD1 3.96Å; V814-F828 HydrophobicContact CG1-CE1 3.67Å; V814-F828 HydrophobicContact CG2-CD1 3.65Å; V814-F828 HydrophobicContact CG2-CE1 3.83Å; V814-F828 HydrophobicContact CG2-CG 4.49Å; V814-E937 HydrophobicContact CG1-CB 3.89Å; V814-E937 VanDerWaalsContact CG1-CD 3.45Å; V814-E937 HydrophobicContact CG1-CG 3.63Å; V814-N1050 WeakPolarHBondContact CG1-ND2 3.5Å |
| 815 | S | 92.8 | Very high | 94 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -15.7 | 179.3 | 74.7 | 0 | 0 | 0 | 0 | 115.3 | L811 R812 R813 E937 | L811-S815 PolarHBondContact O-N 3.21Å; R812-S815 PolarHBondContact O-N 3.28Å; R812-S815 PolarHBondContact O-OG 3.07Å; R813-S815 VanDerWaalsContact C-N 3.34Å; S815-E937 WeakPolarHBondContact CA-OE2 3.5Å; S815-E937 PolarHBondContact N-OE2 3.03Å |
| 816 | T | 91.3 | Very high | 93.8 | Very high | 74 Ų | 74 | 44.1 Ų | 44.1 | 45% | 0.454 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 10.4 | 174.1 | 57.4 | 0 | 0 | 0 | 0 | 113 | R812 R813 V814 Q818 | R812-T816 PolarHBondContact O-N 3Å; R812-T816 PolarHBondContact O-OG1 2.68Å; R813-T816 WeakPolarHBondContact CA-OG1 3.44Å; R813-T816 PolarHBondContact O-N 3.4Å; R813-T816 PolarHBondContact O-OG1 3.17Å; V814-T816 PolarHBondContact O-N 3.04Å; T816-Q818 PolarHBondContact O-N 3.33Å; T816-Q818 VanDerWaalsContact O-N 3.15Å; T816-Q818 WeakPolarHBondContact OG1-CG 3.35Å |
| 817 | Y | 89.9 | Confident | 93.7 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 16.6 | -177.3 | -43.5 | -52.9 | 0 | 0 | 0 | 114.9 | R813 V814 F819 N831 T933 S1049 | R813-Y817 PolarHBondContact O-N 3.23Å; V814-Y817 WeakPolarHBondContact O-CA 3.44Å; V814-Y817 PolarHBondContact O-N 3Å; Y817-F819 VanDerWaalsContact C-N 3.3Å; Y817-N831 VanDerWaalsContact O-CB 3.28Å; Y817-N831 WeakPolarHBondContact O-CB 3.39Å; Y817-N831 PolarHBondContact O-ND2 2.74Å; Y817-T933 HydrophobicContact CE1-CG2 4.39Å; Y817-S1049 WeakPolarHBondContact CD1-O 3.47Å; Y817-S1049 WeakPolarHBondContact CE1-O 3.46Å |
| 818 | Q | 92.1 | Very high | 93.7 | Very high | 48 Ų | 48 | 43 Ų | 43 | 22% | 0.224 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -71.1 | -32.4 | 172.9 | -66.5 | -179.4 | 5.5 | 0 | 0 | 110.9 | R813 T816 N831 V834 | R813-Q818 HydrophobicContact CB-CB 4.21Å; R813-Q818 WeakPolarHBondContact O-CB 3.46Å; R813-Q818 PolarHBondContact O-N 2.57Å; R813-Q818 VanDerWaalsContact O-N 3.07Å; T816-Q818 PolarHBondContact O-N 3.33Å; T816-Q818 VanDerWaalsContact O-N 3.15Å; T816-Q818 WeakPolarHBondContact OG1-CG 3.35Å; Q818-N831 WeakPolarHBondContact O-CB 3.38Å; Q818-N831 PolarHBondContact O-N 3.11Å; Q818-V834 HydrophobicContact CG-CG1 4.19Å |
| 819 | F | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 143.4 | 176.8 | -58.1 | -27.1 | 0 | 0 | 0 | 110.2 | R813 V814 Y817 V829 T838 L840 P842 N1050 | R813-F819 HydrophobicContact CB-CD2 3.55Å; R813-F819 HydrophobicContact CB-CE2 3.56Å; R813-F819 HydrophobicContact CB-CG 4.21Å; R813-F819 HydrophobicContact CB-CZ 4.21Å; R813-F819 VanDerWaalsContact CD-CE2 3.42Å; R813-F819 HydrophobicContact CG-CE2 4.15Å; V814-F819 HydrophobicContact CG2-CB 3.94Å; V814-F819 HydrophobicContact CG2-CD2 4.36Å; Y817-F819 VanDerWaalsContact C-N 3.3Å; F819-V829 CarbonylContact C-O 3.59Å; F819-V829 WeakPolarHBondContact CA-O 3.3Å; F819-T838 HydrophobicContact CE1-CG2 4.46Å; F819-T838 HydrophobicContact CZ-CG2 4.47Å; F819-L840 HydrophobicContact CE2-CD2 4.01Å; F819-L840 HydrophobicContact CE2-CG 4.44Å; F819-L840 HydrophobicContact CZ-CB 4.35Å; F819-L840 HydrophobicContact CZ-CD2 4.04Å; F819-L840 HydrophobicContact CZ-CG 4.09Å; F819-P842 HydrophobicContact CB-CB 4.47Å; F819-P842 HydrophobicContact CB-CG 4.28Å; F819-P842 HydrophobicContact CD1-CB 4.2Å; F819-P842 HydrophobicContact CD1-CG 3.56Å; F819-P842 HydrophobicContact CD2-CB 3.81Å; F819-P842 HydrophobicContact CD2-CG 4.11Å; F819-P842 HydrophobicContact CE1-CB 4.41Å; F819-P842 HydrophobicContact CE1-CG 3.84Å; F819-P842 HydrophobicContact CE2-CB 3.99Å; F819-P842 HydrophobicContact CE2-CG 4.31Å; F819-P842 HydrophobicContact CG-CB 3.93Å; F819-P842 HydrophobicContact CG-CG 3.73Å; F819-P842 HydrophobicContact CZ-CB 4.3Å; F819-P842 HydrophobicContact CZ-CG 4.19Å; F819-N1050 PolarHBondContact O-ND2 2.72Å |
| 820 | L | 94 | Very high | 93.5 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 142 | -177.9 | -55.4 | 175.7 | 0 | 0 | 0 | 110.6 | F828 V829 N831 M1048 N1050 | L820-F828 CarbonylContact O-C 3.37Å; L820-F828 WeakPolarHBondContact O-CA 3.37Å; L820-V829 HydrophobicContact CB-CG2 4Å; L820-V829 PolarHBondContact N-O 3.24Å; L820-V829 PolarHBondContact O-N 3.38Å; L820-N831 HydrophobicContact CD1-CB 4.04Å; L820-N831 HydrophobicContact CD2-CB 4.33Å; L820-N831 HydrophobicContact CG-CB 3.88Å; L820-M1048 HydrophobicContact CD1-CE 3.46Å; L820-M1048 VanDerWaalsContact CD1-CE 3.46Å; L820-M1048 HydrophobicContact CD1-SD 3.72Å; L820-M1048 WeakPolarHBondContact CD2-O 3.47Å; L820-N1050 WeakPolarHBondContact CA-OD1 3.37Å |
| 821 | Y | 95.4 | Very high | 93.2 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 8% | 0.078 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 127.3 | 170.3 | 173.4 | -120.4 | 0 | 0 | 0 | 110.3 | F828 L944 T1046 N1050 H1052 K1056 | Y821-F828 HydrophobicContact CD2-CD2 4.45Å; Y821-F828 HydrophobicContact CD2-CE1 4.28Å; Y821-F828 HydrophobicContact CD2-CE2 4.08Å; Y821-F828 AromaticContact CD2-CZ 3.99Å; Y821-F828 HydrophobicContact CD2-CZ 3.99Å; Y821-F828 HydrophobicContact CG-CE1 4.37Å; Y821-F828 HydrophobicContact CG-CZ 4.39Å; Y821-L944 HydrophobicContact CD2-CD1 4.32Å; Y821-L944 HydrophobicContact CE2-CD1 3.74Å; Y821-L944 HydrophobicContact CE2-CD2 4.38Å; Y821-L944 HydrophobicContact CE2-CG 4.01Å; Y821-T1046 WeakPolarHBondContact O-CB 3.37Å; Y821-N1050 PolarHBondContact N-OD1 3.41Å; Y821-H1052 AromaticContact CD1-NE2 3.98Å; Y821-H1052 PolarHBondContact O-CE1 3.21Å; Y821-H1052 PolarHBondContact O-NE2 3.45Å; Y821-K1056 PolarHBondContact OH-NZ 3.02Å |
| 822 | S | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 111.5 | 169.7 | 176.3 | 0 | 0 | 0 | 0 | 109.8 | H824 L825 R826 T827 L1044 | S822-H824 VanDerWaalsContact C-N 3.33Å; S822-L825 WeakPolarHBondContact OG-CB 3.25Å; S822-L825 PolarHBondContact OG-N 3.35Å; S822-L825 VanDerWaalsContact OG-N 3.11Å; S822-R826 WeakPolarHBondContact O-CA 3.44Å; S822-R826 PolarHBondContact O-N 3.34Å; S822-T827 PolarHBondContact N-O 2.65Å; S822-T827 PolarHBondContact O-N 3Å; S822-L1044 WeakPolarHBondContact CB-O 3.17Å; S822-L1044 PolarHBondContact OG-O 3.24Å |
| 823 | G | 89.6 | Confident | 91.8 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 35% | 0.351 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -38.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R826 | G823-R826 WeakPolarHBondContact O-CG 3.43Å; G823-R826 PolarHBondContact O-N 3.11Å |
| 824 | H | 90 | Very high | 91.2 | Very high | 134 Ų | 134 | 40 Ų | 40 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -45.9 | 178 | -179.5 | 67.9 | 0 | 0 | 0 | 112.8 | S822 R826 D1045 | S822-H824 VanDerWaalsContact C-N 3.33Å; H824-R826 VanDerWaalsContact C-N 3.34Å; H824-D1045 HydrophobicContact CB-CB 3.82Å |
| 825 | L | 92.1 | Very high | 90.3 | Very high | 76 Ų | 76 | 47.7 Ų | 47.7 | 40% | 0.398 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | -6.6 | 178.2 | -60.1 | 178.6 | 0 | 0 | 0 | 113.2 | S822 T827 V829 L1044 | S822-L825 WeakPolarHBondContact OG-CB 3.25Å; S822-L825 PolarHBondContact OG-N 3.35Å; S822-L825 VanDerWaalsContact OG-N 3.11Å; L825-T827 VanDerWaalsContact C-N 3.3Å; L825-T827 HydrophobicContact CB-CG2 3.82Å; L825-T827 PolarHBondContact O-N 3.47Å; L825-V829 HydrophobicContact CD1-CG1 4.08Å; L825-L1044 HydrophobicContact CD1-CD2 3.65Å |
| 826 | R | 94.2 | Very high | 89.1 | Confident | 80 Ų | 80 | 47.9 Ų | 47.9 | 30% | 0.302 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 43.9 | -176.6 | -57.2 | -174.9 | 74.1 | -161.2 | 3.6 | 113.3 | S822 G823 H824 Y848 L944 D947 | S822-R826 WeakPolarHBondContact O-CA 3.44Å; S822-R826 PolarHBondContact O-N 3.34Å; G823-R826 WeakPolarHBondContact O-CG 3.43Å; G823-R826 PolarHBondContact O-N 3.11Å; H824-R826 VanDerWaalsContact C-N 3.34Å; R826-Y848 VanDerWaalsContact CZ-CZ 3.46Å; R826-Y848 PolarHBondContact NH2-OH 3.04Å; R826-L944 HydrophobicContact CB-CD2 3.9Å; R826-D947 IonicContact CZ-OD2 3.77Å; R826-D947 IonicContact NH2-OD2 3.53Å; R826-D947 PolarHBondContact NH2-OD2 3.39Å |
| 827 | T | 96 | Very high | 88.1 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 4% | 0.037 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.7 | 168.6 | -176.9 | -170.7 | 0 | 0 | 0 | 0 | 111.4 | S822 L825 V829 T846 D847 | S822-T827 PolarHBondContact N-O 2.65Å; S822-T827 PolarHBondContact O-N 3Å; L825-T827 VanDerWaalsContact C-N 3.3Å; L825-T827 HydrophobicContact CB-CG2 3.82Å; L825-T827 PolarHBondContact O-N 3.47Å; T827-V829 HydrophobicContact CG2-CG1 3.81Å; T827-T846 PolarHBondContact OG1-O 3.11Å; T827-T846 PolarHBondContact OG1-OG1 3.15Å; T827-T846 VanDerWaalsContact OG1-OG1 3.12Å; T827-D847 WeakPolarHBondContact OG1-CA 3.26Å; T827-D847 PolarHBondContact OG1-N 3.46Å; T827-D847 VanDerWaalsContact OG1-N 3.1Å |
| 828 | F | 96.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.9 | 164.3 | -68.2 | -100.6 | 0 | 0 | 0 | 109.8 | V814 L820 Y821 P842 E843 T846 F941 L944 | V814-F828 HydrophobicContact CB-CE1 4.43Å; V814-F828 HydrophobicContact CG1-CD1 3.96Å; V814-F828 HydrophobicContact CG1-CE1 3.67Å; V814-F828 HydrophobicContact CG2-CD1 3.65Å; V814-F828 HydrophobicContact CG2-CE1 3.83Å; V814-F828 HydrophobicContact CG2-CG 4.49Å; L820-F828 CarbonylContact O-C 3.37Å; L820-F828 WeakPolarHBondContact O-CA 3.37Å; Y821-F828 HydrophobicContact CD2-CD2 4.45Å; Y821-F828 HydrophobicContact CD2-CE1 4.28Å; Y821-F828 HydrophobicContact CD2-CE2 4.08Å; Y821-F828 AromaticContact CD2-CZ 3.99Å; Y821-F828 HydrophobicContact CD2-CZ 3.99Å; Y821-F828 HydrophobicContact CG-CE1 4.37Å; Y821-F828 HydrophobicContact CG-CZ 4.39Å; F828-P842 HydrophobicContact CB-CB 4.02Å; F828-P842 CarbonylContact O-C 3.53Å; F828-E843 WeakPolarHBondContact O-CG 3.41Å; F828-E843 PolarHBondContact O-N 2.9Å; F828-T846 HydrophobicContact CB-CG2 4.39Å; F828-T846 WeakPolarHBondContact CB-OG1 3.48Å; F828-T846 HydrophobicContact CD2-CG2 3.88Å; F828-T846 PolarHBondContact N-OG1 3.34Å; F828-T846 PolarHBondContact O-OG1 3.2Å; F828-F941 HydrophobicContact CE2-CB 3.76Å; F828-F941 AromaticContact CE2-CD2 3.9Å; F828-F941 HydrophobicContact CE2-CD2 3.9Å; F828-F941 HydrophobicContact CE2-CG 4.34Å; F828-F941 HydrophobicContact CZ-CB 3.78Å; F828-L944 HydrophobicContact CD2-CD1 4.44Å; F828-L944 HydrophobicContact CE2-CD1 4.19Å |
| 829 | V | 93.8 | Very high | 86.7 | Confident | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 151.7 | -175.8 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | F819 L820 L825 T827 N831 E843 L1044 | F819-V829 CarbonylContact C-O 3.59Å; F819-V829 WeakPolarHBondContact CA-O 3.3Å; L820-V829 HydrophobicContact CB-CG2 4Å; L820-V829 PolarHBondContact N-O 3.24Å; L820-V829 PolarHBondContact O-N 3.38Å; L825-V829 HydrophobicContact CD1-CG1 4.08Å; T827-V829 HydrophobicContact CG2-CG1 3.81Å; V829-N831 PolarHBondContact O-N 3.02Å; V829-E843 WeakPolarHBondContact CA-OE1 3.48Å; V829-E843 HydrophobicContact CB-CG 4.45Å; V829-E843 WeakPolarHBondContact CB-OE1 3.11Å; V829-E843 HydrophobicContact CG1-CG 4.03Å; V829-L1044 HydrophobicContact CG2-CD1 3.99Å |
| 830 | T | 91.7 | Very high | 86.5 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 30% | 0.301 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 132.9 | 175.7 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | P832 P842 E843 | T830-P832 VanDerWaalsContact O-CD 3.23Å; T830-P832 WeakPolarHBondContact O-CD 3.33Å; T830-P842 VanDerWaalsContact OG1-CD 3.31Å; T830-P842 WeakPolarHBondContact OG1-CD 3.47Å; T830-E843 PolarHBondContact N-OE1 3.32Å |
| 831 | N | 89.7 | Confident | 86.3 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.016 | 34% | 0.335 | C | S | . | . | trans | -72.6 | 112.5 | 174.3 | -171.6 | -18.5 | 0 | 0 | 0 | 109.9 | Y817 Q818 L820 V829 T833 V834 M1048 | Y817-N831 VanDerWaalsContact O-CB 3.28Å; Y817-N831 WeakPolarHBondContact O-CB 3.39Å; Y817-N831 PolarHBondContact O-ND2 2.74Å; Q818-N831 WeakPolarHBondContact O-CB 3.38Å; Q818-N831 PolarHBondContact O-N 3.11Å; L820-N831 HydrophobicContact CD1-CB 4.04Å; L820-N831 HydrophobicContact CD2-CB 4.33Å; L820-N831 HydrophobicContact CG-CB 3.88Å; V829-N831 PolarHBondContact O-N 3.02Å; N831-T833 PolarHBondContact ND2-OG1 3.46Å; N831-T833 PolarHBondContact O-N 2.87Å; N831-T833 VanDerWaalsContact O-N 3.14Å; N831-T833 WeakPolarHBondContact OD1-CB 3.45Å; N831-T833 PolarHBondContact OD1-N 3.42Å; N831-T833 PolarHBondContact OD1-OG1 3.49Å; N831-V834 HydrophobicContact CB-CB 4.34Å; N831-V834 HydrophobicContact CB-CG2 4.29Å; N831-V834 PolarHBondContact O-N 2.69Å; N831-M1048 PolarHBondContact ND2-O 3.26Å | ||
| 832 | P | 82.1 | Confident | 86.2 | Confident | 88 Ų | 88 | 56.5 Ų | 56.5 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -14.7 | -176.5 | 30.1 | -36.1 | 0 | 0 | 0 | 113.1 | T830 | T830-P832 VanDerWaalsContact O-CD 3.23Å; T830-P832 WeakPolarHBondContact O-CD 3.33Å |
| 833 | T | 80.1 | Confident | 86.1 | Confident | 91 Ų | 91 | 59.3 Ų | 59.3 | 56% | 0.558 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | -13 | -178 | 67.1 | 0 | 0 | 0 | 0 | 113.6 | N831 M1048 | N831-T833 PolarHBondContact ND2-OG1 3.46Å; N831-T833 PolarHBondContact O-N 2.87Å; N831-T833 VanDerWaalsContact O-N 3.14Å; N831-T833 WeakPolarHBondContact OD1-CB 3.45Å; N831-T833 PolarHBondContact OD1-N 3.42Å; N831-T833 PolarHBondContact OD1-OG1 3.49Å; T833-M1048 HydrophobicContact CG2-CG 4.37Å; T833-M1048 HydrophobicContact CG2-SD 3.97Å |
| 834 | V | 80.8 | Confident | 86.2 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -110.7 | 113.1 | -177.3 | 179.5 | 0 | 0 | 0 | 0 | 108.7 | Q818 N831 S836 | Q818-V834 HydrophobicContact CG-CG1 4.19Å; N831-V834 HydrophobicContact CB-CB 4.34Å; N831-V834 HydrophobicContact CB-CG2 4.29Å; N831-V834 PolarHBondContact O-N 2.69Å; V834-S836 VanDerWaalsContact C-N 3.28Å; V834-S836 PolarHBondContact O-N 2.92Å |
| 835 | D | 75.5 | Confident | 86.4 | Confident | 163 Ų | 163 | 55.4 Ų | 55.4 | 87% | 0.872 | 32% | 0.317 | S | S | * | . | trans | -72.3 | 89.5 | 168.4 | -169.5 | 4.4 | 0 | 0 | 0 | 108.8 | G837 | D835-G837 VanDerWaalsContact C-N 3.26Å; D835-G837 PolarHBondContact O-N 3.26Å | ||
| 836 | S | 67.7 | Low | 86.6 | Confident | 31 Ų | 31 | 51.8 Ų | 51.8 | 22% | 0.217 | 30% | 0.298 | C | S | . | . | trans | -78.8 | -10 | -173.5 | 54.9 | 0 | 0 | 0 | 0 | 112.9 | V834 T838 | V834-S836 VanDerWaalsContact C-N 3.28Å; V834-S836 PolarHBondContact O-N 2.92Å; S836-T838 PolarHBondContact O-N 3.07Å; S836-T838 VanDerWaalsContact OG-CG2 3.3Å; S836-T838 WeakPolarHBondContact OG-CG2 3.22Å | ||
| 837 | G | 70.2 | Confident | 86.7 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 74% | 0.742 | 30% | 0.301 | S | S | * | . | trans | 56.3 | 11.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | D835 | D835-G837 VanDerWaalsContact C-N 3.26Å; D835-G837 PolarHBondContact O-N 3.26Å | ||
| 838 | T | 73.5 | Confident | 86.7 | Confident | 41 Ų | 41 | 52.3 Ų | 52.3 | 25% | 0.252 | 31% | 0.305 | S | S | . | . | trans | -104.1 | 140.3 | -175.6 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | F819 S836 L840 | F819-T838 HydrophobicContact CE1-CG2 4.46Å; F819-T838 HydrophobicContact CZ-CG2 4.47Å; S836-T838 PolarHBondContact O-N 3.07Å; S836-T838 VanDerWaalsContact OG-CG2 3.3Å; S836-T838 WeakPolarHBondContact OG-CG2 3.22Å; T838-L840 VanDerWaalsContact C-N 3.26Å; T838-L840 HydrophobicContact CG2-CB 4.47Å; T838-L840 PolarHBondContact OG1-N 3.37Å | ||
| 839 | N | 79.9 | Confident | 86.6 | Confident | 165 Ų | 165 | 55 Ų | 55 | 88% | 0.882 | 33% | 0.327 | S | S | * | . | trans | -86.6 | 2.3 | 172.9 | -64.9 | -26.5 | 0 | 0 | 0 | 112.2 | ||||
| 840 | L | 88.7 | Confident | 86.7 | Confident | 27 Ų | 27 | 55.9 Ų | 55.9 | 14% | 0.141 | 33% | 0.331 | C | S | . | . | trans | -79.2 | 121.5 | -179.2 | 179.1 | 64.2 | 0 | 0 | 0 | 110.4 | W805 V809 F819 T838 | W805-L840 HydrophobicContact CH2-CD1 4.23Å; W805-L840 HydrophobicContact CZ2-CD1 3.82Å; W805-L840 HydrophobicContact CZ2-CD2 4.08Å; V809-L840 HydrophobicContact CG1-CD2 4.21Å; F819-L840 HydrophobicContact CE2-CD2 4.01Å; F819-L840 HydrophobicContact CE2-CG 4.44Å; F819-L840 HydrophobicContact CZ-CB 4.35Å; F819-L840 HydrophobicContact CZ-CD2 4.04Å; F819-L840 HydrophobicContact CZ-CG 4.09Å; T838-L840 VanDerWaalsContact C-N 3.26Å; T838-L840 HydrophobicContact CG2-CB 4.47Å; T838-L840 PolarHBondContact OG1-N 3.37Å | ||
| 841 | I | 91.1 | Very high | 87 | Confident | 74 Ų | 74 | 53.5 Ų | 53.5 | 38% | 0.379 | 32% | 0.317 | S | S | . | . | trans | -102.5 | 106.8 | 178.6 | -57.6 | 175.1 | 0 | 0 | 0 | 107.9 | E843 E844 H845 | I841-E843 HydrophobicContact CG2-CB 4.1Å; I841-E843 WeakPolarHBondContact CG2-OE2 3.42Å; I841-E843 PolarHBondContact O-N 3.37Å; I841-E844 HydrophobicContact CB-CB 4.47Å; I841-E844 HydrophobicContact CB-CG 3.88Å; I841-E844 HydrophobicContact CG2-CG 3.83Å; I841-E844 WeakPolarHBondContact O-CB 3.22Å; I841-E844 PolarHBondContact O-N 3.44Å; I841-E844 VanDerWaalsContact O-N 3.12Å; I841-H845 PolarHBondContact O-CD2 2.74Å | ||
| 842 | P | 93.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.3 | -176.2 | 27.1 | -35.9 | 0 | 0 | 0 | 112.8 | F819 F828 T830 E844 H845 T846 | F819-P842 HydrophobicContact CB-CB 4.47Å; F819-P842 HydrophobicContact CB-CG 4.28Å; F819-P842 HydrophobicContact CD1-CB 4.2Å; F819-P842 HydrophobicContact CD1-CG 3.56Å; F819-P842 HydrophobicContact CD2-CB 3.81Å; F819-P842 HydrophobicContact CD2-CG 4.11Å; F819-P842 HydrophobicContact CE1-CB 4.41Å; F819-P842 HydrophobicContact CE1-CG 3.84Å; F819-P842 HydrophobicContact CE2-CB 3.99Å; F819-P842 HydrophobicContact CE2-CG 4.31Å; F819-P842 HydrophobicContact CG-CB 3.93Å; F819-P842 HydrophobicContact CG-CG 3.73Å; F819-P842 HydrophobicContact CZ-CB 4.3Å; F819-P842 HydrophobicContact CZ-CG 4.19Å; F828-P842 HydrophobicContact CB-CB 4.02Å; F828-P842 CarbonylContact O-C 3.53Å; T830-P842 VanDerWaalsContact OG1-CD 3.31Å; T830-P842 WeakPolarHBondContact OG1-CD 3.47Å; P842-E844 PolarHBondContact O-N 2.96Å; P842-H845 PolarHBondContact O-N 3.39Å; P842-T846 PolarHBondContact O-N 2.97Å; P842-T846 PolarHBondContact O-OG1 3.1Å |
| 843 | E | 91.4 | Very high | 88.2 | Confident | 59 Ų | 59 | 52.5 Ų | 52.5 | 28% | 0.276 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -58.6 | -34.7 | 176.9 | -62.2 | 86.8 | 160.4 | 0 | 0 | 111 | F828 V829 T830 I841 H845 D847 | F828-E843 WeakPolarHBondContact O-CG 3.41Å; F828-E843 PolarHBondContact O-N 2.9Å; V829-E843 WeakPolarHBondContact CA-OE1 3.48Å; V829-E843 HydrophobicContact CB-CG 4.45Å; V829-E843 WeakPolarHBondContact CB-OE1 3.11Å; V829-E843 HydrophobicContact CG1-CG 4.03Å; T830-E843 PolarHBondContact N-OE1 3.32Å; I841-E843 HydrophobicContact CG2-CB 4.1Å; I841-E843 WeakPolarHBondContact CG2-OE2 3.42Å; I841-E843 PolarHBondContact O-N 3.37Å; E843-H845 PolarHBondContact O-N 3.4Å; E843-D847 WeakPolarHBondContact O-CB 3.37Å; E843-D847 PolarHBondContact O-N 3.45Å |
| 844 | E | 91.6 | Very high | 89 | Confident | 76 Ų | 76 | 48.1 Ų | 48.1 | 36% | 0.355 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71 | -8.8 | 179.4 | -64.8 | -164.4 | 139.7 | 0 | 0 | 114.3 | K749 I841 P842 | K749-E844 HydrophobicContact CD-CB 4.11Å; K749-E844 VanDerWaalsContact CE-OE2 3.25Å; K749-E844 WeakPolarHBondContact CE-OE2 3.36Å; K749-E844 WeakPolarHBondContact CG-O 3.12Å; K749-E844 IonicContact NZ-OE1 2.75Å; K749-E844 PolarHBondContact NZ-OE1 3.47Å; K749-E844 IonicContact NZ-OE2 3.93Å; K749-E844 PolarHBondContact NZ-OE2 2.9Å; I841-E844 HydrophobicContact CB-CB 4.47Å; I841-E844 HydrophobicContact CB-CG 3.88Å; I841-E844 HydrophobicContact CG2-CG 3.83Å; I841-E844 WeakPolarHBondContact O-CB 3.22Å; I841-E844 PolarHBondContact O-N 3.44Å; I841-E844 VanDerWaalsContact O-N 3.12Å; P842-E844 PolarHBondContact O-N 2.96Å |
| 845 | H | 95.6 | Very high | 89.8 | Confident | 10 Ų | 10 | 45.9 Ų | 45.9 | 5% | 0.046 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -124 | -23 | -179.1 | -60.2 | -79.7 | 0 | 0 | 0 | 112.8 | I747 W805 Y806 L810 I841 P842 E843 | I747-H845 PolarHBondContact O-CE1 3.01Å; W805-H845 HydrophobicContact CH2-CB 3.74Å; W805-H845 AromaticContact CH2-CD2 3.57Å; W805-H845 AromaticContact CH2-CG 3.4Å; W805-H845 AromaticContact CH2-ND1 3.73Å; W805-H845 AromaticContact CH2-NE2 3.96Å; W805-H845 HydrophobicContact CZ3-CB 3.86Å; W805-H845 AromaticContact CZ3-CG 3.93Å; Y806-H845 HydrophobicContact CE1-CB 4.48Å; Y806-H845 PolarHBondContact OH-O 3.24Å; L810-H845 HydrophobicContact CD1-CB 4.29Å; I841-H845 PolarHBondContact O-CD2 2.74Å; P842-H845 PolarHBondContact O-N 3.39Å; E843-H845 PolarHBondContact O-N 3.4Å |
| 846 | T | 96.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -117.8 | 0.2 | -175 | 60.2 | 0 | 0 | 0 | 0 | 114 | Y806 L810 T827 F828 P842 L851 F941 | Y806-T846 HydrophobicContact CE1-CG2 4.05Å; L810-T846 HydrophobicContact CD1-CG2 3.48Å; L810-T846 VanDerWaalsContact CD1-CG2 3.48Å; L810-T846 HydrophobicContact CD2-CG2 4.02Å; L810-T846 HydrophobicContact CG-CG2 4.41Å; T827-T846 PolarHBondContact OG1-O 3.11Å; T827-T846 PolarHBondContact OG1-OG1 3.15Å; T827-T846 VanDerWaalsContact OG1-OG1 3.12Å; F828-T846 HydrophobicContact CB-CG2 4.39Å; F828-T846 WeakPolarHBondContact CB-OG1 3.48Å; F828-T846 HydrophobicContact CD2-CG2 3.88Å; F828-T846 PolarHBondContact N-OG1 3.34Å; F828-T846 PolarHBondContact O-OG1 3.2Å; P842-T846 PolarHBondContact O-N 2.97Å; P842-T846 PolarHBondContact O-OG1 3.1Å; T846-L851 WeakPolarHBondContact O-CD1 3.45Å; T846-F941 HydrophobicContact CG2-CD2 4.44Å; T846-F941 HydrophobicContact CG2-CE2 4.24Å |
| 847 | D | 94.4 | Very high | 92.3 | Very high | 67 Ų | 67 | 40.5 Ų | 40.5 | 36% | 0.358 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -52.5 | 145.3 | 165.9 | -178.4 | 76.2 | 0 | 0 | 0 | 110.2 | T827 E843 A849 E850 L851 | T827-D847 WeakPolarHBondContact OG1-CA 3.26Å; T827-D847 PolarHBondContact OG1-N 3.46Å; T827-D847 VanDerWaalsContact OG1-N 3.1Å; E843-D847 WeakPolarHBondContact O-CB 3.37Å; E843-D847 PolarHBondContact O-N 3.45Å; D847-A849 PolarHBondContact O-N 2.99Å; D847-A849 VanDerWaalsContact O-N 3.15Å; D847-A849 WeakPolarHBondContact OD2-CB 3.49Å; D847-A849 PolarHBondContact OD2-N 2.89Å; D847-E850 HydrophobicContact CB-CG 4.22Å; D847-E850 WeakPolarHBondContact O-CA 3.3Å; D847-E850 WeakPolarHBondContact O-CB 3.1Å; D847-E850 PolarHBondContact O-N 3.44Å; D847-L851 PolarHBondContact O-N 2.96Å |
| 848 | Y | 96 | Very high | 93.5 | Very high | 30 Ų | 30 | 37 Ų | 37 | 12% | 0.118 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -32.8 | -173.8 | -169.2 | -116 | 0 | 0 | 0 | 112.8 | R826 K852 D947 A948 D951 | R826-Y848 VanDerWaalsContact CZ-CZ 3.46Å; R826-Y848 PolarHBondContact NH2-OH 3.04Å; Y848-K852 HydrophobicContact CE1-CD 4.34Å; Y848-K852 WeakPolarHBondContact O-CG 3.41Å; Y848-K852 PolarHBondContact O-N 3.07Å; Y848-K852 VanDerWaalsContact O-N 3.09Å; Y848-D947 HydrophobicContact CE2-CB 3.91Å; Y848-D947 PolarHBondContact OH-O 3.1Å; Y848-A948 HydrophobicContact CE2-CB 4.16Å; Y848-D951 WeakPolarHBondContact CE1-OD2 3.31Å; Y848-D951 VanDerWaalsContact OH-CG 3.23Å; Y848-D951 PolarHBondContact OH-OD2 3Å |
| 849 | A | 94.7 | Very high | 94.6 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 47% | 0.471 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | D847 K852 A853 | D847-A849 PolarHBondContact O-N 2.99Å; D847-A849 VanDerWaalsContact O-N 3.15Å; D847-A849 WeakPolarHBondContact OD2-CB 3.49Å; D847-A849 PolarHBondContact OD2-N 2.89Å; A849-K852 PolarHBondContact O-N 2.95Å; A849-A853 PolarHBondContact O-N 3.1Å |
| 850 | E | 97.2 | Very high | 95.3 | Very high | 23 Ų | 23 | 31.2 Ų | 31.2 | 11% | 0.107 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.2 | -40.3 | 176.7 | -63.4 | -62.2 | 156.5 | 0 | 0 | 111.5 | P750 S751 D847 K852 A853 L854 | P750-E850 VanDerWaalsContact CB-O 3.27Å; P750-E850 WeakPolarHBondContact CB-O 3.26Å; P750-E850 VanDerWaalsContact CD-OE2 3.31Å; P750-E850 WeakPolarHBondContact CD-OE2 3.1Å; P750-E850 HydrophobicContact CG-CB 4.43Å; S751-E850 WeakPolarHBondContact CB-OE1 3.29Å; S751-E850 VanDerWaalsContact CB-OE2 3.23Å; S751-E850 WeakPolarHBondContact CB-OE2 3.49Å; S751-E850 PolarHBondContact N-OE2 3.49Å; S751-E850 PolarHBondContact OG-OE1 2.96Å; S751-E850 PolarHBondContact OG-OE2 2.91Å; D847-E850 HydrophobicContact CB-CG 4.22Å; D847-E850 WeakPolarHBondContact O-CA 3.3Å; D847-E850 WeakPolarHBondContact O-CB 3.1Å; D847-E850 PolarHBondContact O-N 3.44Å; E850-K852 VanDerWaalsContact C-N 3.32Å; E850-K852 PolarHBondContact O-N 3.07Å; E850-A853 PolarHBondContact O-N 3.14Å; E850-L854 WeakPolarHBondContact O-CB 3.28Å; E850-L854 PolarHBondContact O-N 2.88Å |
| 851 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.5 | -32.1 | 175.6 | -64.4 | 179.8 | 0 | 0 | 0 | 112.4 | T846 D847 L854 A855 F941 L944 A948 | T846-L851 WeakPolarHBondContact O-CD1 3.45Å; D847-L851 PolarHBondContact O-N 2.96Å; L851-L854 HydrophobicContact CD2-CD2 4.19Å; L851-L854 PolarHBondContact O-N 3.05Å; L851-A855 WeakPolarHBondContact O-CB 3.49Å; L851-A855 PolarHBondContact O-N 2.85Å; L851-F941 HydrophobicContact CD2-CE2 4.03Å; L851-L944 HydrophobicContact CD1-CB 3.48Å; L851-L944 VanDerWaalsContact CD1-CB 3.48Å; L851-L944 HydrophobicContact CD1-CD1 4.08Å; L851-L944 HydrophobicContact CD1-CG 4.4Å; L851-A948 VanDerWaalsContact C-CB 3.5Å; L851-A948 HydrophobicContact CB-CB 3.81Å |
| 852 | K | 97.8 | Very high | 95.9 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 27% | 0.27 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -64.2 | -46 | 169.8 | -75.8 | -170.4 | -176.6 | -161.2 | 0 | 111.7 | Y848 A849 E850 L854 A855 Q856 A948 D951 V952 | Y848-K852 HydrophobicContact CE1-CD 4.34Å; Y848-K852 WeakPolarHBondContact O-CG 3.41Å; Y848-K852 PolarHBondContact O-N 3.07Å; Y848-K852 VanDerWaalsContact O-N 3.09Å; A849-K852 PolarHBondContact O-N 2.95Å; E850-K852 VanDerWaalsContact C-N 3.32Å; E850-K852 PolarHBondContact O-N 3.07Å; K852-L854 VanDerWaalsContact C-N 3.29Å; K852-L854 PolarHBondContact O-N 3.24Å; K852-A855 PolarHBondContact O-N 3.45Å; K852-Q856 WeakPolarHBondContact O-CB 3.49Å; K852-Q856 PolarHBondContact O-N 3.31Å; K852-A948 HydrophobicContact CG-CB 3.94Å; K852-D951 HydrophobicContact CD-CB 4.35Å; K852-D951 WeakPolarHBondContact CE-OD2 3.17Å; K852-D951 IonicContact NZ-OD2 3.8Å; K852-D951 PolarHBondContact NZ-OD2 3.42Å; K852-V952 HydrophobicContact CB-CG2 4.29Å; K852-V952 WeakPolarHBondContact O-CG2 3.26Å |
| 853 | A | 97.6 | Very high | 96.1 | Very high | 7 Ų | 7 | 31 Ų | 31 | 6% | 0.058 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P750 L754 A849 E850 Q856 L857 | P750-A853 HydrophobicContact CB-CB 3.97Å; L754-A853 HydrophobicContact CB-CB 4.35Å; L754-A853 HydrophobicContact CD2-CB 3.86Å; A849-A853 PolarHBondContact O-N 3.1Å; E850-A853 PolarHBondContact O-N 3.14Å; A853-Q856 PolarHBondContact O-N 3.38Å; A853-L857 WeakPolarHBondContact O-CB 3.37Å; A853-L857 WeakPolarHBondContact O-CG 3.41Å; A853-L857 PolarHBondContact O-N 3.13Å |
| 854 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -61.6 | -48.9 | 174.1 | -175.9 | 67.3 | 0 | 0 | 0 | 111.7 | P750 Y802 Y806 E850 L851 K852 Q856 L857 L858 M866 L945 | P750-L854 HydrophobicContact CB-CB 3.84Å; P750-L854 HydrophobicContact CB-CD1 4.49Å; P750-L854 HydrophobicContact CG-CB 3.96Å; P750-L854 HydrophobicContact CG-CD1 4.26Å; Y802-L854 HydrophobicContact CD1-CD1 3.79Å; Y802-L854 HydrophobicContact CD2-CD1 4.12Å; Y802-L854 HydrophobicContact CE1-CD1 4.3Å; Y802-L854 HydrophobicContact CG-CD1 3.68Å; Y806-L854 HydrophobicContact CD2-CD2 4.13Å; Y806-L854 HydrophobicContact CE2-CD1 4.18Å; Y806-L854 HydrophobicContact CE2-CD2 3.35Å; Y806-L854 HydrophobicContact CE2-CG 4.41Å; E850-L854 WeakPolarHBondContact O-CB 3.28Å; E850-L854 PolarHBondContact O-N 2.88Å; L851-L854 HydrophobicContact CD2-CD2 4.19Å; L851-L854 PolarHBondContact O-N 3.05Å; K852-L854 VanDerWaalsContact C-N 3.29Å; K852-L854 PolarHBondContact O-N 3.24Å; L854-Q856 VanDerWaalsContact C-N 3.27Å; L854-Q856 PolarHBondContact O-N 2.89Å; L854-L857 PolarHBondContact O-N 3.35Å; L854-L858 HydrophobicContact CD1-CD1 3.87Å; L854-L858 HydrophobicContact CD1-CG 3.98Å; L854-L858 HydrophobicContact CG-CD1 3.98Å; L854-L858 HydrophobicContact CG-CG 4.26Å; L854-L858 WeakPolarHBondContact O-CB 3.42Å; L854-L858 WeakPolarHBondContact O-CG 3.41Å; L854-L858 PolarHBondContact O-N 2.97Å; L854-M866 HydrophobicContact CD2-CE 4.28Å; L854-L945 HydrophobicContact CD2-CD1 4.02Å |
| 855 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61.5 | -37 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | L851 K852 S859 V863 A948 L949 V952 | L851-A855 WeakPolarHBondContact O-CB 3.49Å; L851-A855 PolarHBondContact O-N 2.85Å; K852-A855 PolarHBondContact O-N 3.45Å; A855-S859 WeakPolarHBondContact O-CA 3.34Å; A855-S859 PolarHBondContact O-N 2.84Å; A855-V863 HydrophobicContact CB-CG2 4.17Å; A855-A948 HydrophobicContact CB-CB 4.49Å; A855-L949 HydrophobicContact CB-CB 4.18Å; A855-L949 HydrophobicContact CB-CD1 4.4Å; A855-V952 HydrophobicContact CB-CG2 4.26Å |
| 856 | Q | 96.9 | Very high | 96.6 | Very high | 59 Ų | 59 | 28.7 Ų | 28.7 | 28% | 0.276 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -66.9 | -42.1 | 174.1 | -178.1 | 172.4 | -21.4 | 0 | 0 | 112.6 | L754 K852 A853 L854 V952 | L754-Q856 HydrophobicContact CD1-CG 4.25Å; L754-Q856 HydrophobicContact CD2-CB 4.41Å; L754-Q856 HydrophobicContact CD2-CG 4.38Å; K852-Q856 WeakPolarHBondContact O-CB 3.49Å; K852-Q856 PolarHBondContact O-N 3.31Å; A853-Q856 PolarHBondContact O-N 3.38Å; L854-Q856 VanDerWaalsContact C-N 3.27Å; L854-Q856 PolarHBondContact O-N 2.89Å; Q856-V952 HydrophobicContact CB-CG1 4.07Å; Q856-V952 HydrophobicContact CB-CG2 4.31Å |
| 857 | L | 97.2 | Very high | 96.6 | Very high | 21 Ų | 21 | 28.9 Ų | 28.9 | 11% | 0.11 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.5 | -43.3 | 177.4 | -78.3 | 166.3 | 0 | 0 | 0 | 112.5 | P750 L753 L754 V757 L798 A853 L854 | P750-L857 HydrophobicContact CB-CD1 4.41Å; P750-L857 VanDerWaalsContact O-CD1 3.32Å; P750-L857 WeakPolarHBondContact O-CD1 3.27Å; L753-L857 HydrophobicContact CB-CD1 4.15Å; L753-L857 HydrophobicContact CD2-CD1 3.84Å; L753-L857 HydrophobicContact CD2-CD2 4.47Å; L753-L857 HydrophobicContact CG-CD1 3.95Å; L753-L857 HydrophobicContact CG-CD2 4.25Å; L754-L857 HydrophobicContact CB-CD1 4.1Å; L754-L857 HydrophobicContact CB-CD2 4.23Å; L754-L857 HydrophobicContact CB-CG 4.08Å; L754-L857 HydrophobicContact CD1-CD2 3.98Å; L754-L857 HydrophobicContact CD1-CG 4.13Å; V757-L857 HydrophobicContact CG2-CD2 4.38Å; L798-L857 HydrophobicContact CD1-CD2 4.2Å; A853-L857 WeakPolarHBondContact O-CB 3.37Å; A853-L857 WeakPolarHBondContact O-CG 3.41Å; A853-L857 PolarHBondContact O-N 3.13Å; L854-L857 PolarHBondContact O-N 3.35Å |
| 858 | L | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -81.7 | -21.7 | -176.1 | -63.3 | -167.7 | 0 | 0 | 0 | 113.1 | T787 L798 L854 G862 V863 M866 | T787-L858 WeakPolarHBondContact CB-O 3.32Å; L798-L858 HydrophobicContact CB-CD2 4.13Å; L854-L858 HydrophobicContact CD1-CD1 3.87Å; L854-L858 HydrophobicContact CD1-CG 3.98Å; L854-L858 HydrophobicContact CG-CD1 3.98Å; L854-L858 HydrophobicContact CG-CG 4.26Å; L854-L858 WeakPolarHBondContact O-CB 3.42Å; L854-L858 WeakPolarHBondContact O-CG 3.41Å; L854-L858 PolarHBondContact O-N 2.97Å; L858-G862 VanDerWaalsContact O-CA 3.29Å; L858-G862 WeakPolarHBondContact O-CA 3.47Å; L858-G862 PolarHBondContact O-N 3.25Å; L858-V863 HydrophobicContact CB-CG2 4.18Å; L858-M866 HydrophobicContact CD1-CE 3.55Å |
| 859 | S | 94.8 | Very high | 96.7 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 20% | 0.196 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | 61 | 174.1 | -168.9 | 87.2 | 0 | 0 | 0 | 0 | 113 | T787 A855 L861 G862 V863 | T787-S859 WeakPolarHBondContact CB-OG 3.14Å; T787-S859 WeakPolarHBondContact CG2-OG 3.31Å; A855-S859 WeakPolarHBondContact O-CA 3.34Å; A855-S859 PolarHBondContact O-N 2.84Å; S859-L861 PolarHBondContact O-N 2.87Å; S859-L861 VanDerWaalsContact O-N 3.14Å; S859-L861 PolarHBondContact OG-N 3.02Å; S859-G862 PolarHBondContact O-N 3.44Å; S859-V863 WeakPolarHBondContact O-CG2 3.31Å; S859-V863 PolarHBondContact O-N 3.49Å |
| 860 | P | 95.2 | Very high | 96.8 | Very high | 55 Ų | 55 | 31.2 Ų | 31.2 | 36% | 0.357 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -52.9 | -32.9 | 172.8 | -27 | 34.8 | 0 | 0 | 0 | 114.1 | K864 L949 V953 | P860-K864 VanDerWaalsContact O-CB 3.26Å; P860-K864 WeakPolarHBondContact O-CB 3.34Å; P860-K864 PolarHBondContact O-N 2.84Å; P860-L949 HydrophobicContact CB-CD1 4.38Å; P860-L949 HydrophobicContact CG-CD1 4.1Å; P860-V953 HydrophobicContact CG-CG2 4.05Å |
| 861 | L | 95.2 | Very high | 96.8 | Very high | 95 Ų | 95 | 30.1 Ų | 30.1 | 50% | 0.497 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -69.9 | -46.3 | -179.1 | -68.1 | 172.8 | 0 | 0 | 0 | 112.4 | S859 K864 F865 | S859-L861 PolarHBondContact O-N 2.87Å; S859-L861 VanDerWaalsContact O-N 3.14Å; S859-L861 PolarHBondContact OG-N 3.02Å; L861-K864 WeakPolarHBondContact O-CB 3.45Å; L861-K864 PolarHBondContact O-N 3.18Å; L861-F865 PolarHBondContact O-N 3.06Å |
| 862 | G | 96.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71 | -34.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T787 L858 S859 F865 M866 | T787-G862 WeakPolarHBondContact O-CA 3.46Å; T787-G862 PolarHBondContact O-N 3.35Å; L858-G862 VanDerWaalsContact O-CA 3.29Å; L858-G862 WeakPolarHBondContact O-CA 3.47Å; L858-G862 PolarHBondContact O-N 3.25Å; S859-G862 PolarHBondContact O-N 3.44Å; G862-F865 PolarHBondContact O-N 2.82Å; G862-M866 PolarHBondContact O-N 3.2Å |
| 863 | V | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.8 | -38.7 | 172.4 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | A855 L858 S859 M866 S867 L945 L949 | A855-V863 HydrophobicContact CB-CG2 4.17Å; L858-V863 HydrophobicContact CB-CG2 4.18Å; S859-V863 WeakPolarHBondContact O-CG2 3.31Å; S859-V863 PolarHBondContact O-N 3.49Å; V863-M866 PolarHBondContact O-N 3.35Å; V863-S867 VanDerWaalsContact O-CB 3.28Å; V863-S867 WeakPolarHBondContact O-CB 3.15Å; V863-S867 PolarHBondContact O-N 3.37Å; V863-S867 PolarHBondContact O-OG 3.49Å; V863-L945 HydrophobicContact CG1-CD2 3.95Å; V863-L945 HydrophobicContact CG1-CG 3.89Å; V863-L945 HydrophobicContact CG2-CD1 4.36Å; V863-L949 HydrophobicContact CB-CD2 4.09Å; V863-L949 HydrophobicContact CG1-CB 4.4Å; V863-L949 HydrophobicContact CG1-CD2 3.77Å; V863-L949 HydrophobicContact CG2-CD1 4.27Å |
| 864 | K | 95.8 | Very high | 96.7 | Very high | 64 Ų | 64 | 36.7 Ų | 36.7 | 28% | 0.278 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 170.9 | 171.7 | 174.1 | 171.3 | 172.7 | 0 | 110.8 | P860 L861 M866 S867 E868 E983 | P860-K864 VanDerWaalsContact O-CB 3.26Å; P860-K864 WeakPolarHBondContact O-CB 3.34Å; P860-K864 PolarHBondContact O-N 2.84Å; L861-K864 WeakPolarHBondContact O-CB 3.45Å; L861-K864 PolarHBondContact O-N 3.18Å; K864-M866 PolarHBondContact O-N 2.92Å; K864-S867 WeakPolarHBondContact O-CB 3.41Å; K864-S867 PolarHBondContact O-N 3.49Å; K864-E868 WeakPolarHBondContact CE-OE1 3.33Å; K864-E868 HydrophobicContact CG-CG 4.45Å; K864-E868 IonicContact NZ-OE1 2.71Å; K864-E868 WeakPolarHBondContact O-CG 3.48Å; K864-E868 PolarHBondContact O-N 3.45Å; K864-E983 IonicContact NZ-OE1 3.33Å; K864-E983 PolarHBondContact NZ-OE1 2.77Å |
| 865 | F | 96.5 | Very high | 96.6 | Very high | 34 Ų | 34 | 36.7 Ų | 36.7 | 15% | 0.149 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.7 | -46.7 | 177.6 | 177.7 | -92.6 | 0 | 0 | 0 | 112 | H789 T799 T803 L861 G862 S867 E868 R869 | H789-F865 HydrophobicContact CB-CD2 4.24Å; H789-F865 HydrophobicContact CB-CE1 4.27Å; H789-F865 HydrophobicContact CB-CE2 3.63Å; H789-F865 HydrophobicContact CB-CZ 3.65Å; T799-F865 HydrophobicContact CG2-CB 4Å; T799-F865 HydrophobicContact CG2-CD1 3.54Å; T799-F865 HydrophobicContact CG2-CE1 4.29Å; T799-F865 HydrophobicContact CG2-CG 3.98Å; T803-F865 HydrophobicContact CG2-CD1 4.26Å; T803-F865 HydrophobicContact CG2-CE1 4.01Å; L861-F865 PolarHBondContact O-N 3.06Å; G862-F865 PolarHBondContact O-N 2.82Å; F865-S867 VanDerWaalsContact C-N 3.34Å; F865-S867 PolarHBondContact O-N 2.66Å; F865-E868 PolarHBondContact O-N 2.91Å; F865-R869 HydrophobicContact CD1-CG 4.4Å; F865-R869 HydrophobicContact CE1-CG 4.06Å; F865-R869 HydrophobicContact CZ-CG 4.21Å; F865-R869 VanDerWaalsContact O-CG 3.32Å; F865-R869 WeakPolarHBondContact O-CG 3.4Å; F865-R869 PolarHBondContact O-N 2.93Å; F865-R869 VanDerWaalsContact O-N 3.11Å |
| 866 | M | 97.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.7 | -171.5 | -178.8 | -72.3 | 0 | 0 | 111.3 | T803 Y806 L854 L858 G862 V863 K864 E868 R869 L870 F941 L945 | T803-M866 HydrophobicContact CG2-CB 4.35Å; T803-M866 HydrophobicContact CG2-CG 4.12Å; Y806-M866 HydrophobicContact CD2-CE 3.99Å; Y806-M866 HydrophobicContact CD2-SD 4.47Å; L854-M866 HydrophobicContact CD2-CE 4.28Å; L858-M866 HydrophobicContact CD1-CE 3.55Å; G862-M866 PolarHBondContact O-N 3.2Å; V863-M866 PolarHBondContact O-N 3.35Å; K864-M866 PolarHBondContact O-N 2.92Å; M866-E868 PolarHBondContact O-N 3.37Å; M866-R869 PolarHBondContact O-N 3.12Å; M866-L870 HydrophobicContact CG-CD1 4.04Å; M866-L870 HydrophobicContact CG-CG 4.45Å; M866-L870 VanDerWaalsContact O-CG 3.26Å; M866-L870 WeakPolarHBondContact O-CG 3.37Å; M866-L870 PolarHBondContact O-N 3.09Å; M866-F941 HydrophobicContact SD-CE1 4.05Å; M866-F941 HydrophobicContact SD-CZ 4.31Å; M866-L945 HydrophobicContact CG-CD2 4.26Å; M866-L945 HydrophobicContact SD-CD2 3.45Å; M866-L945 WeakPolarHBondContact SD-CD2 3.3Å |
| 867 | S | 96 | Very high | 96.6 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.021 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.1 | -44.5 | 176.9 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | V863 K864 F865 R869 L870 M871 | V863-S867 VanDerWaalsContact O-CB 3.28Å; V863-S867 WeakPolarHBondContact O-CB 3.15Å; V863-S867 PolarHBondContact O-N 3.37Å; V863-S867 PolarHBondContact O-OG 3.49Å; K864-S867 WeakPolarHBondContact O-CB 3.41Å; K864-S867 PolarHBondContact O-N 3.49Å; F865-S867 VanDerWaalsContact C-N 3.34Å; F865-S867 PolarHBondContact O-N 2.66Å; S867-R869 VanDerWaalsContact C-N 3.3Å; S867-R869 PolarHBondContact O-N 3.39Å; S867-L870 PolarHBondContact O-N 2.91Å; S867-M871 WeakPolarHBondContact O-CB 3.31Å; S867-M871 VanDerWaalsContact O-CG 3.3Å; S867-M871 WeakPolarHBondContact O-CG 3.08Å; S867-M871 PolarHBondContact O-N 2.85Å |
| 868 | E | 95.8 | Very high | 96.5 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 36% | 0.36 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 176.1 | -73.2 | 174.1 | 169.5 | 0 | 0 | 111.6 | K864 F865 M866 M871 W872 H997 | K864-E868 WeakPolarHBondContact CE-OE1 3.33Å; K864-E868 HydrophobicContact CG-CG 4.45Å; K864-E868 IonicContact NZ-OE1 2.71Å; K864-E868 WeakPolarHBondContact O-CG 3.48Å; K864-E868 PolarHBondContact O-N 3.45Å; F865-E868 PolarHBondContact O-N 2.91Å; M866-E868 PolarHBondContact O-N 3.37Å; E868-M871 PolarHBondContact O-N 3.34Å; E868-W872 WeakPolarHBondContact O-CB 3.42Å; E868-W872 PolarHBondContact O-N 3.18Å; E868-H997 WeakPolarHBondContact CG-ND1 3.26Å; E868-H997 IonicContact OE1-CE1 3.68Å; E868-H997 IonicContact OE1-ND1 3.04Å |
| 869 | R | 97.2 | Very high | 96.4 | Very high | 126 Ų | 126 | 38.1 Ų | 38.1 | 48% | 0.475 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -68.3 | -44.1 | 176.2 | -64.1 | -70 | 166 | 144.4 | -3.7 | 112 | T803 L807 F865 M866 S867 M871 W872 H873 | T803-R869 HydrophobicContact CG2-CB 3.97Å; T803-R869 HydrophobicContact CG2-CG 3.98Å; L807-R869 HydrophobicContact CD1-CB 3.81Å; F865-R869 HydrophobicContact CD1-CG 4.4Å; F865-R869 HydrophobicContact CE1-CG 4.06Å; F865-R869 HydrophobicContact CZ-CG 4.21Å; F865-R869 VanDerWaalsContact O-CG 3.32Å; F865-R869 WeakPolarHBondContact O-CG 3.4Å; F865-R869 PolarHBondContact O-N 2.93Å; F865-R869 VanDerWaalsContact O-N 3.11Å; M866-R869 PolarHBondContact O-N 3.12Å; S867-R869 VanDerWaalsContact C-N 3.3Å; S867-R869 PolarHBondContact O-N 3.39Å; R869-M871 VanDerWaalsContact C-N 3.32Å; R869-M871 PolarHBondContact O-N 3.27Å; R869-W872 WeakPolarHBondContact O-CB 2.95Å; R869-W872 PolarHBondContact O-N 2.87Å; R869-H873 PolarHBondContact O-CD2 3.38Å; R869-H873 PolarHBondContact O-N 2.88Å; R869-H873 VanDerWaalsContact O-N 3.11Å |
| 870 | L | 97.8 | Very high | 96.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -56.9 | -47.7 | 173.4 | -69.4 | 163.6 | 0 | 0 | 0 | 110.6 | L807 L811 M866 S867 W872 H873 V874 I938 F941 R942 | L807-L870 HydrophobicContact CD2-CD2 3.46Å; L807-L870 VanDerWaalsContact CD2-CD2 3.46Å; L807-L870 HydrophobicContact CD2-CG 4.18Å; L807-L870 HydrophobicContact CG-CD2 4.39Å; L811-L870 HydrophobicContact CD1-CD2 3.46Å; L811-L870 VanDerWaalsContact CD1-CD2 3.46Å; M866-L870 HydrophobicContact CG-CD1 4.04Å; M866-L870 HydrophobicContact CG-CG 4.45Å; M866-L870 VanDerWaalsContact O-CG 3.26Å; M866-L870 WeakPolarHBondContact O-CG 3.37Å; M866-L870 PolarHBondContact O-N 3.09Å; S867-L870 PolarHBondContact O-N 2.91Å; L870-W872 VanDerWaalsContact C-N 3.31Å; L870-W872 PolarHBondContact O-N 2.89Å; L870-H873 WeakPolarHBondContact O-CB 3.4Å; L870-H873 PolarHBondContact O-N 3.42Å; L870-H873 VanDerWaalsContact O-N 3.15Å; L870-V874 PolarHBondContact O-N 2.9Å; L870-I938 HydrophobicContact CB-CG2 3.88Å; L870-I938 HydrophobicContact CD2-CG2 3.8Å; L870-I938 HydrophobicContact CG-CG2 4.43Å; L870-F941 HydrophobicContact CD1-CD1 3.85Å; L870-F941 HydrophobicContact CD1-CE1 3.94Å; L870-F941 HydrophobicContact CD2-CD1 3.98Å; L870-F941 HydrophobicContact CD2-CE1 4.32Å; L870-R942 HydrophobicContact CD1-CB 4.15Å |
| 871 | M | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -68.3 | -30 | 179.2 | -69.1 | -50.1 | 93 | 0 | 0 | 113.1 | S867 E868 R869 H873 V874 A875 I938 H997 L998 A1001 | S867-M871 WeakPolarHBondContact O-CB 3.31Å; S867-M871 VanDerWaalsContact O-CG 3.3Å; S867-M871 WeakPolarHBondContact O-CG 3.08Å; S867-M871 PolarHBondContact O-N 2.85Å; E868-M871 PolarHBondContact O-N 3.34Å; R869-M871 VanDerWaalsContact C-N 3.32Å; R869-M871 PolarHBondContact O-N 3.27Å; M871-H873 VanDerWaalsContact C-N 3.33Å; M871-V874 HydrophobicContact CE-CB 4.44Å; M871-V874 HydrophobicContact CE-CG2 3.75Å; M871-V874 PolarHBondContact O-N 3.45Å; M871-V874 HydrophobicContact SD-CG2 4.43Å; M871-A875 WeakPolarHBondContact O-CB 3.27Å; M871-A875 PolarHBondContact O-N 3.35Å; M871-I938 HydrophobicContact CE-CG2 4.24Å; M871-H997 HydrophobicContact CB-CB 4.16Å; M871-H997 HydrophobicContact CG-CB 3.78Å; M871-L998 HydrophobicContact CG-CB 4.24Å; M871-L998 HydrophobicContact SD-CB 3.82Å; M871-L998 HydrophobicContact SD-CD1 4.26Å; M871-L998 HydrophobicContact SD-CG 4.42Å; M871-A1001 HydrophobicContact CB-CB 4.34Å |
| 872 | W | 97.1 | Very high | 96.5 | Very high | 132 Ų | 132 | 32.8 Ų | 32.8 | 50% | 0.5 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.5 | -40.8 | 170.9 | -163.7 | 92.9 | 0 | 0 | 0 | 111.9 | E868 R869 L870 S876 Q1005 | E868-W872 WeakPolarHBondContact O-CB 3.42Å; E868-W872 PolarHBondContact O-N 3.18Å; R869-W872 WeakPolarHBondContact O-CB 2.95Å; R869-W872 PolarHBondContact O-N 2.87Å; L870-W872 VanDerWaalsContact C-N 3.31Å; L870-W872 PolarHBondContact O-N 2.89Å; W872-S876 PolarHBondContact O-N 2.94Å; W872-S876 VanDerWaalsContact O-N 3.1Å; W872-Q1005 VanDerWaalsContact CD2-NE2 3.33Å; W872-Q1005 VanDerWaalsContact CE2-NE2 3.28Å; W872-Q1005 PolarHBondContact O-NE2 2.9Å |
| 873 | H | 96.5 | Very high | 96.3 | Very high | 74 Ų | 74 | 37.8 Ų | 37.8 | 34% | 0.343 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.4 | -40.7 | 173 | -73.7 | -73.7 | 0 | 0 | 0 | 112.4 | L807 R869 L870 M871 S876 Q877 I938 | L807-H873 VanDerWaalsContact CD2-CD2 3.48Å; L807-H873 WeakPolarHBondContact CD2-CD2 3.32Å; R869-H873 PolarHBondContact O-CD2 3.38Å; R869-H873 PolarHBondContact O-N 2.88Å; R869-H873 VanDerWaalsContact O-N 3.11Å; L870-H873 WeakPolarHBondContact O-CB 3.4Å; L870-H873 PolarHBondContact O-N 3.42Å; L870-H873 VanDerWaalsContact O-N 3.15Å; M871-H873 VanDerWaalsContact C-N 3.33Å; H873-S876 WeakPolarHBondContact O-CB 3.46Å; H873-S876 PolarHBondContact O-N 3.22Å; H873-Q877 WeakPolarHBondContact O-CG 3.45Å; H873-Q877 PolarHBondContact O-N 3.49Å; H873-I938 HydrophobicContact CB-CD1 4.21Å |
| 874 | V | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -46.6 | 175 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | L870 M871 S876 Q877 I878 I935 I938 I939 L998 | L870-V874 PolarHBondContact O-N 2.9Å; M871-V874 HydrophobicContact CE-CB 4.44Å; M871-V874 HydrophobicContact CE-CG2 3.75Å; M871-V874 PolarHBondContact O-N 3.45Å; M871-V874 HydrophobicContact SD-CG2 4.43Å; V874-S876 PolarHBondContact O-N 2.86Å; V874-Q877 PolarHBondContact O-N 2.89Å; V874-Q877 VanDerWaalsContact O-N 3.08Å; V874-I878 HydrophobicContact CG1-CD1 3.94Å; V874-I878 HydrophobicContact CG1-CG1 4.39Å; V874-I878 WeakPolarHBondContact O-CG1 3.49Å; V874-I878 PolarHBondContact O-N 2.73Å; V874-I935 HydrophobicContact CG1-CG1 4.22Å; V874-I935 HydrophobicContact CG1-CG2 3.75Å; V874-I938 HydrophobicContact CG2-CB 3.97Å; V874-I938 HydrophobicContact CG2-CD1 4.29Å; V874-I938 HydrophobicContact CG2-CG2 3.6Å; V874-I939 HydrophobicContact CG2-CG1 4.48Å; V874-L998 HydrophobicContact CB-CD1 3.97Å; V874-L998 HydrophobicContact CG1-CD1 3.53Å; V874-L998 HydrophobicContact CG1-CD2 4.22Å |
| 875 | A | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -58.1 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M871 I878 N879 A1001 I1002 Q1005 | M871-A875 WeakPolarHBondContact O-CB 3.27Å; M871-A875 PolarHBondContact O-N 3.35Å; A875-I878 PolarHBondContact O-N 2.92Å; A875-N879 PolarHBondContact O-N 2.88Å; A875-N879 PolarHBondContact O-ND2 3.2Å; A875-A1001 HydrophobicContact CB-CB 3.79Å; A875-I1002 HydrophobicContact CB-CG1 3.82Å; A875-Q1005 VanDerWaalsContact C-OE1 3.29Å |
| 876 | S | 96.6 | Very high | 96 | Very high | 41 Ų | 41 | 38 Ų | 38 | 29% | 0.287 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 174.6 | -176.9 | 0 | 0 | 0 | 0 | 111.9 | W872 H873 V874 I878 N879 E880 Q1005 | W872-S876 PolarHBondContact O-N 2.94Å; W872-S876 VanDerWaalsContact O-N 3.1Å; H873-S876 WeakPolarHBondContact O-CB 3.46Å; H873-S876 PolarHBondContact O-N 3.22Å; V874-S876 PolarHBondContact O-N 2.86Å; S876-I878 PolarHBondContact O-N 3.49Å; S876-N879 PolarHBondContact O-N 3.12Å; S876-E880 PolarHBondContact O-N 2.9Å; S876-E880 VanDerWaalsContact O-N 3.09Å; S876-Q1005 VanDerWaalsContact N-OE1 3.16Å |
| 877 | Q | 96.9 | Very high | 95.7 | Very high | 39 Ų | 39 | 43.8 Ų | 43.8 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 174 | -64.2 | -56.8 | -27.7 | 0 | 0 | 112.2 | H873 V874 N879 E880 L881 I934 I935 | H873-Q877 WeakPolarHBondContact O-CG 3.45Å; H873-Q877 PolarHBondContact O-N 3.49Å; V874-Q877 PolarHBondContact O-N 2.89Å; V874-Q877 VanDerWaalsContact O-N 3.08Å; Q877-N879 VanDerWaalsContact C-N 3.31Å; Q877-N879 PolarHBondContact O-N 2.66Å; Q877-E880 WeakPolarHBondContact O-CB 3.49Å; Q877-E880 PolarHBondContact O-N 2.83Å; Q877-L881 WeakPolarHBondContact O-CG 3.37Å; Q877-L881 PolarHBondContact O-N 3.23Å; Q877-I934 HydrophobicContact CG-CG2 4.27Å; Q877-I935 HydrophobicContact CB-CD1 3.69Å; Q877-I935 HydrophobicContact CB-CG1 3.52Å; Q877-I935 HydrophobicContact CG-CG1 4.18Å |
| 878 | I | 96.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -40.4 | 175.4 | -68.3 | 171.7 | 0 | 0 | 0 | 111.1 | V874 A875 S876 E880 L881 K882 I935 L998 I1002 I1061 L1065 | V874-I878 HydrophobicContact CG1-CD1 3.94Å; V874-I878 HydrophobicContact CG1-CG1 4.39Å; V874-I878 WeakPolarHBondContact O-CG1 3.49Å; V874-I878 PolarHBondContact O-N 2.73Å; A875-I878 PolarHBondContact O-N 2.92Å; S876-I878 PolarHBondContact O-N 3.49Å; I878-E880 VanDerWaalsContact C-N 3.32Å; I878-E880 PolarHBondContact O-N 3.23Å; I878-L881 WeakPolarHBondContact O-CB 3.42Å; I878-L881 PolarHBondContact O-N 3.27Å; I878-K882 WeakPolarHBondContact O-CG 3.31Å; I878-K882 PolarHBondContact O-N 2.9Å; I878-I935 HydrophobicContact CG1-CD1 3.88Å; I878-L998 HydrophobicContact CD1-CD1 4.09Å; I878-I1002 HydrophobicContact CD1-CD1 3.76Å; I878-I1002 HydrophobicContact CD1-CG1 4.33Å; I878-I1061 HydrophobicContact CD1-CG1 4.08Å; I878-I1061 HydrophobicContact CG1-CG1 4.15Å; I878-L1065 HydrophobicContact CG2-CD1 4.35Å; I878-L1065 HydrophobicContact CG2-CD2 4.02Å |
| 879 | N | 94.9 | Very high | 95.4 | Very high | 31 Ų | 31 | 43.8 Ų | 43.8 | 17% | 0.166 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.6 | -78.1 | -32.7 | 0 | 0 | 0 | 112 | A875 S876 Q877 K882 K883 Q1005 | A875-N879 PolarHBondContact O-N 2.88Å; A875-N879 PolarHBondContact O-ND2 3.2Å; S876-N879 PolarHBondContact O-N 3.12Å; Q877-N879 VanDerWaalsContact C-N 3.31Å; Q877-N879 PolarHBondContact O-N 2.66Å; N879-K882 PolarHBondContact O-N 2.82Å; N879-K883 WeakPolarHBondContact O-CG 3.17Å; N879-K883 PolarHBondContact O-N 2.99Å; N879-K883 VanDerWaalsContact O-N 3.09Å; N879-Q1005 PolarHBondContact ND2-OE1 2.89Å |
| 880 | E | 95 | Very high | 95.2 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 25% | 0.252 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 172.6 | -67 | -62.8 | 126.1 | 0 | 0 | 112.5 | S876 Q877 I878 K883 L884 R931 | S876-E880 PolarHBondContact O-N 2.9Å; S876-E880 VanDerWaalsContact O-N 3.09Å; Q877-E880 WeakPolarHBondContact O-CB 3.49Å; Q877-E880 PolarHBondContact O-N 2.83Å; I878-E880 VanDerWaalsContact C-N 3.32Å; I878-E880 PolarHBondContact O-N 3.23Å; E880-K883 WeakPolarHBondContact O-CB 3.14Å; E880-K883 PolarHBondContact O-N 3Å; E880-K883 WeakPolarHBondContact OE1-CE 3.37Å; E880-K883 IonicContact OE1-NZ 3.78Å; E880-K883 PolarHBondContact OE1-NZ 3.05Å; E880-L884 PolarHBondContact O-N 3.21Å; E880-L884 VanDerWaalsContact O-N 3.1Å; E880-R931 VanDerWaalsContact CB-NH1 3.26Å; E880-R931 IonicContact OE2-NH2 2.78Å |
| 881 | L | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -61.6 | -42.6 | 172.5 | -68.6 | 175.2 | 0 | 0 | 0 | 111.8 | Q877 I878 K883 L884 V885 L928 R931 V932 I935 L1021 I1061 | Q877-L881 WeakPolarHBondContact O-CG 3.37Å; Q877-L881 PolarHBondContact O-N 3.23Å; I878-L881 WeakPolarHBondContact O-CB 3.42Å; I878-L881 PolarHBondContact O-N 3.27Å; L881-K883 VanDerWaalsContact C-N 3.3Å; L881-K883 PolarHBondContact O-N 3.09Å; L881-L884 HydrophobicContact CD2-CD1 4.48Å; L881-L884 WeakPolarHBondContact O-CB 3.35Å; L881-L884 PolarHBondContact O-N 3.39Å; L881-L884 VanDerWaalsContact O-N 3.12Å; L881-V885 WeakPolarHBondContact O-CG2 3.44Å; L881-V885 PolarHBondContact O-N 3.33Å; L881-L928 HydrophobicContact CD2-CD1 3.5Å; L881-L928 VanDerWaalsContact CD2-CD1 3.5Å; L881-L928 HydrophobicContact CD2-CG 4.06Å; L881-R931 HydrophobicContact CD2-CB 3.69Å; L881-R931 HydrophobicContact CG-CB 4.21Å; L881-V932 HydrophobicContact CD1-CG2 3.94Å; L881-V932 HydrophobicContact CD2-CG2 3.98Å; L881-I935 HydrophobicContact CD1-CD1 3.53Å; L881-L1021 HydrophobicContact CB-CD1 3.81Å; L881-L1021 HydrophobicContact CB-CD2 4.22Å; L881-L1021 HydrophobicContact CD1-CD1 4.43Å; L881-I1061 HydrophobicContact CD1-CD1 4.16Å |
| 882 | K | 94 | Very high | 94.8 | Very high | 12 Ų | 12 | 44.5 Ų | 44.5 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -38.2 | 175 | -73.1 | -171.3 | 172.9 | -162.3 | 0 | 111.9 | I878 N879 L884 V885 L886 D1014 V1017 C1018 | I878-K882 WeakPolarHBondContact O-CG 3.31Å; I878-K882 PolarHBondContact O-N 2.9Å; N879-K882 PolarHBondContact O-N 2.82Å; K882-L884 VanDerWaalsContact C-N 3.35Å; K882-V885 PolarHBondContact O-N 3.38Å; K882-L886 WeakPolarHBondContact O-CG 3.27Å; K882-L886 PolarHBondContact O-N 2.81Å; K882-D1014 VanDerWaalsContact NZ-CG 3.29Å; K882-D1014 IonicContact NZ-OD1 2.7Å; K882-D1014 PolarHBondContact NZ-OD1 3.5Å; K882-D1014 IonicContact NZ-OD2 3.61Å; K882-D1014 PolarHBondContact NZ-OD2 3.19Å; K882-V1017 HydrophobicContact CB-CG1 4.05Å; K882-V1017 HydrophobicContact CD-CG1 4.39Å; K882-V1017 HydrophobicContact CG-CG1 3.97Å; K882-C1018 WeakPolarHBondContact CE-SG 3.47Å; K882-C1018 PolarHBondContact NZ-SG 2.8Å |
| 883 | K | 94.2 | Very high | 94.7 | Very high | 104 Ų | 104 | 43.1 Ų | 43.1 | 45% | 0.452 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.7 | -41.9 | 173.1 | -68.3 | 172.9 | -173.1 | 173.3 | 0 | 111.7 | N879 E880 L881 V885 L886 Q887 | N879-K883 WeakPolarHBondContact O-CG 3.17Å; N879-K883 PolarHBondContact O-N 2.99Å; N879-K883 VanDerWaalsContact O-N 3.09Å; E880-K883 WeakPolarHBondContact O-CB 3.14Å; E880-K883 PolarHBondContact O-N 3Å; E880-K883 WeakPolarHBondContact OE1-CE 3.37Å; E880-K883 IonicContact OE1-NZ 3.78Å; E880-K883 PolarHBondContact OE1-NZ 3.05Å; L881-K883 VanDerWaalsContact C-N 3.3Å; L881-K883 PolarHBondContact O-N 3.09Å; K883-V885 VanDerWaalsContact C-N 3.32Å; K883-V885 PolarHBondContact O-N 2.79Å; K883-L886 PolarHBondContact O-N 3.44Å; K883-Q887 VanDerWaalsContact O-CG 3.29Å; K883-Q887 WeakPolarHBondContact O-CG 3.32Å; K883-Q887 PolarHBondContact O-N 2.96Å |
| 884 | L | 93.9 | Very high | 94.5 | Very high | 10 Ų | 10 | 41.8 Ų | 41.8 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63 | -38.6 | 175.4 | -68.1 | 174.7 | 0 | 0 | 0 | 112.1 | E880 L881 K882 Q887 N888 N927 L928 F1024 | E880-L884 PolarHBondContact O-N 3.21Å; E880-L884 VanDerWaalsContact O-N 3.1Å; L881-L884 HydrophobicContact CD2-CD1 4.48Å; L881-L884 WeakPolarHBondContact O-CB 3.35Å; L881-L884 PolarHBondContact O-N 3.39Å; L881-L884 VanDerWaalsContact O-N 3.12Å; K882-L884 VanDerWaalsContact C-N 3.35Å; L884-Q887 PolarHBondContact O-N 3.21Å; L884-N888 PolarHBondContact O-N 3.46Å; L884-N888 PolarHBondContact O-ND2 3.09Å; L884-N927 HydrophobicContact CD1-CB 4.3Å; L884-L928 HydrophobicContact CD1-CB 4.26Å; L884-L928 HydrophobicContact CD1-CD1 4.32Å; L884-F1024 HydrophobicContact CB-CE1 4.11Å |
| 885 | V | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65 | -45.1 | 174.9 | 173.4 | 0 | 0 | 0 | 0 | 111.3 | L881 K882 K883 Q887 N888 R889 L892 V1017 L1020 L1021 F1024 | L881-V885 WeakPolarHBondContact O-CG2 3.44Å; L881-V885 PolarHBondContact O-N 3.33Å; K882-V885 PolarHBondContact O-N 3.38Å; K883-V885 VanDerWaalsContact C-N 3.32Å; K883-V885 PolarHBondContact O-N 2.79Å; V885-Q887 VanDerWaalsContact C-N 3.29Å; V885-Q887 PolarHBondContact O-N 3.08Å; V885-N888 CarbonylContact O-C 3.28Å; V885-N888 PolarHBondContact O-N 3.4Å; V885-N888 VanDerWaalsContact O-N 3.08Å; V885-R889 VanDerWaalsContact O-CA 3.3Å; V885-R889 WeakPolarHBondContact O-CA 3.22Å; V885-R889 PolarHBondContact O-N 3.18Å; V885-L892 HydrophobicContact CB-CD1 4.35Å; V885-L892 HydrophobicContact CG1-CD1 4.01Å; V885-L892 HydrophobicContact CG2-CD1 4.38Å; V885-V1017 HydrophobicContact CB-CG1 4.15Å; V885-V1017 HydrophobicContact CG1-CG1 3.89Å; V885-L1020 HydrophobicContact CG1-CB 3.57Å; V885-L1020 HydrophobicContact CG1-CD1 4.46Å; V885-L1021 HydrophobicContact CG2-CB 3.82Å; V885-L1021 HydrophobicContact CG2-CD1 3.75Å; V885-L1021 HydrophobicContact CG2-CG 4.38Å; V885-F1024 HydrophobicContact CG2-CD1 4Å |
| 886 | L | 93.2 | Very high | 93.9 | Very high | 93 Ų | 93 | 45 Ų | 45 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 178 | -74 | 171 | 0 | 0 | 0 | 111.9 | K882 K883 N888 V1017 | K882-L886 WeakPolarHBondContact O-CG 3.27Å; K882-L886 PolarHBondContact O-N 2.81Å; K883-L886 PolarHBondContact O-N 3.44Å; L886-N888 PolarHBondContact O-N 2.91Å; L886-V1017 HydrophobicContact CD2-CG2 3.63Å; L886-V1017 HydrophobicContact CG-CG2 4.28Å |
| 887 | Q | 92.2 | Very high | 93.6 | Very high | 122 Ų | 122 | 47 Ų | 47 | 57% | 0.57 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -64.5 | -26.6 | 175.6 | -71.6 | 169.8 | 13.8 | 0 | 0 | 113.3 | K883 L884 V885 | K883-Q887 VanDerWaalsContact O-CG 3.29Å; K883-Q887 WeakPolarHBondContact O-CG 3.32Å; K883-Q887 PolarHBondContact O-N 2.96Å; L884-Q887 PolarHBondContact O-N 3.21Å; V885-Q887 VanDerWaalsContact C-N 3.29Å; V885-Q887 PolarHBondContact O-N 3.08Å |
| 888 | N | 93.2 | Very high | 93.1 | Very high | 23 Ų | 23 | 45.3 Ų | 45.3 | 12% | 0.123 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | 16.7 | -174.6 | -66 | -78.5 | 0 | 0 | 0 | 113.1 | L884 V885 L886 D890 T891 L892 L912 F1024 | L884-N888 PolarHBondContact O-N 3.46Å; L884-N888 PolarHBondContact O-ND2 3.09Å; V885-N888 CarbonylContact O-C 3.28Å; V885-N888 PolarHBondContact O-N 3.4Å; V885-N888 VanDerWaalsContact O-N 3.08Å; L886-N888 PolarHBondContact O-N 2.91Å; N888-D890 PolarHBondContact O-N 3.39Å; N888-T891 PolarHBondContact O-N 3.3Å; N888-L892 HydrophobicContact CB-CD1 4Å; N888-L892 HydrophobicContact CB-CG 4.18Å; N888-L892 VanDerWaalsContact O-CG 3.3Å; N888-L892 WeakPolarHBondContact O-CG 3.38Å; N888-L892 PolarHBondContact O-N 3.1Å; N888-L912 HydrophobicContact CB-CD2 3.72Å; N888-L912 WeakPolarHBondContact OD1-CD2 3.35Å; N888-F1024 HydrophobicContact CB-CE1 4.44Å |
| 889 | R | 93 | Very high | 92.3 | Very high | 57 Ų | 57 | 51.1 Ų | 51.1 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -53.9 | -48.1 | -165.8 | -176.8 | -176.3 | -174.7 | 175.3 | 6.6 | 113.7 | V885 L892 R893 E1013 L1020 | V885-R889 VanDerWaalsContact O-CA 3.3Å; V885-R889 WeakPolarHBondContact O-CA 3.22Å; V885-R889 PolarHBondContact O-N 3.18Å; R889-L892 PolarHBondContact O-N 3.3Å; R889-R893 WeakPolarHBondContact O-CB 3.29Å; R889-R893 WeakPolarHBondContact O-CG 3.34Å; R889-R893 PolarHBondContact O-N 3.34Å; R889-E1013 IonicContact CZ-OE1 2.71Å; R889-E1013 VanDerWaalsContact CZ-OE1 3.22Å; R889-E1013 IonicContact NH1-OE1 3.07Å; R889-E1013 PolarHBondContact NH1-OE1 3.03Å; R889-E1013 IonicContact NH2-OE1 3.34Å; R889-E1013 PolarHBondContact NH2-OE1 3.01Å; R889-L1020 HydrophobicContact CG-CD1 3.93Å |
| 890 | D | 92.9 | Very high | 91.5 | Very high | 116 Ų | 116 | 54.6 Ų | 54.6 | 62% | 0.62 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -71.2 | -39 | -175 | -62.5 | -40.3 | 0 | 0 | 0 | 112.1 | N888 R893 T894 | N888-D890 PolarHBondContact O-N 3.39Å; D890-R893 PolarHBondContact O-N 2.92Å; D890-T894 WeakPolarHBondContact O-CB 3.39Å; D890-T894 PolarHBondContact O-N 3.27Å; D890-T894 PolarHBondContact O-OG1 3.4Å |
| 891 | T | 92.4 | Very high | 91.1 | Very high | 26 Ų | 26 | 58.9 Ų | 58.9 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 172.7 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | N888 R893 T894 M895 L908 H911 L912 | N888-T891 PolarHBondContact O-N 3.3Å; T891-R893 PolarHBondContact O-N 2.99Å; T891-T894 PolarHBondContact O-N 3.18Å; T891-M895 HydrophobicContact CG2-CE 4.46Å; T891-M895 WeakPolarHBondContact O-CG 3.24Å; T891-M895 PolarHBondContact O-N 3.02Å; T891-L908 HydrophobicContact CG2-CB 4.16Å; T891-L908 HydrophobicContact CG2-CD2 4.19Å; T891-L908 WeakPolarHBondContact CG2-O 3.41Å; T891-H911 HydrophobicContact CG2-CB 4.18Å; T891-L912 HydrophobicContact CG2-CD2 3.83Å; T891-L912 HydrophobicContact CG2-CG 4.04Å |
| 892 | L | 94 | Very high | 90.3 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.4 | -39.6 | -179.4 | -65.9 | 170.5 | 0 | 0 | 0 | 112.8 | V885 N888 R889 T894 M895 R896 L912 L1020 F1024 | V885-L892 HydrophobicContact CB-CD1 4.35Å; V885-L892 HydrophobicContact CG1-CD1 4.01Å; V885-L892 HydrophobicContact CG2-CD1 4.38Å; N888-L892 HydrophobicContact CB-CD1 4Å; N888-L892 HydrophobicContact CB-CG 4.18Å; N888-L892 VanDerWaalsContact O-CG 3.3Å; N888-L892 WeakPolarHBondContact O-CG 3.38Å; N888-L892 PolarHBondContact O-N 3.1Å; R889-L892 PolarHBondContact O-N 3.3Å; L892-T894 VanDerWaalsContact C-N 3.31Å; L892-T894 PolarHBondContact O-N 2.87Å; L892-M895 HydrophobicContact CD2-SD 4.47Å; L892-M895 PolarHBondContact O-N 3.4Å; L892-R896 WeakPolarHBondContact O-CB 3.44Å; L892-R896 PolarHBondContact O-N 3.39Å; L892-L912 HydrophobicContact CD2-CD1 4.25Å; L892-L912 HydrophobicContact CD2-CD2 4.41Å; L892-L1020 HydrophobicContact CB-CB 4.44Å; L892-L1020 HydrophobicContact CB-CD2 3.96Å; L892-F1024 HydrophobicContact CD1-CB 3.89Å; L892-F1024 HydrophobicContact CD1-CD1 3.65Å; L892-F1024 HydrophobicContact CD1-CE1 4.31Å; L892-F1024 HydrophobicContact CD1-CG 3.83Å; L892-F1024 HydrophobicContact CD2-CB 3.63Å; L892-F1024 HydrophobicContact CD2-CD1 4.22Å; L892-F1024 HydrophobicContact CD2-CD2 3.69Å; L892-F1024 HydrophobicContact CD2-CE2 4.43Å; L892-F1024 HydrophobicContact CD2-CG 3.59Å; L892-F1024 HydrophobicContact CG-CB 4.42Å; L892-F1024 HydrophobicContact CG-CG 4.34Å |
| 893 | R | 93.6 | Very high | 89.7 | Confident | 103 Ų | 103 | 66.6 Ų | 66.6 | 39% | 0.389 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 173.3 | -79.8 | 178.6 | 169.2 | -177.4 | -7.6 | 112 | R889 D890 T891 S897 S1016 L1020 | R889-R893 WeakPolarHBondContact O-CB 3.29Å; R889-R893 WeakPolarHBondContact O-CG 3.34Å; R889-R893 PolarHBondContact O-N 3.34Å; D890-R893 PolarHBondContact O-N 2.92Å; T891-R893 PolarHBondContact O-N 2.99Å; R893-S897 PolarHBondContact O-N 3.46Å; R893-S897 PolarHBondContact O-OG 3.38Å; R893-S1016 PolarHBondContact NH2-OG 3.08Å; R893-L1020 HydrophobicContact CB-CD2 4.46Å; R893-L1020 HydrophobicContact CG-CD1 3.76Å; R893-L1020 HydrophobicContact CG-CD2 3.81Å; R893-L1020 HydrophobicContact CG-CG 4.4Å |
| 894 | T | 92.1 | Very high | 89.3 | Confident | 46 Ų | 46 | 65.5 Ų | 65.5 | 28% | 0.282 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70.1 | -38.6 | 178.9 | -51.3 | 0 | 0 | 0 | 0 | 111 | D890 T891 L892 S897 S898 L908 | D890-T894 WeakPolarHBondContact O-CB 3.39Å; D890-T894 PolarHBondContact O-N 3.27Å; D890-T894 PolarHBondContact O-OG1 3.4Å; T891-T894 PolarHBondContact O-N 3.18Å; L892-T894 VanDerWaalsContact C-N 3.31Å; L892-T894 PolarHBondContact O-N 2.87Å; T894-S897 PolarHBondContact O-N 3.3Å; T894-S897 PolarHBondContact O-OG 2.97Å; T894-S897 VanDerWaalsContact O-OG 3.11Å; T894-S898 WeakPolarHBondContact O-CB 3.39Å; T894-S898 PolarHBondContact O-N 3.05Å; T894-S898 PolarHBondContact O-OG 3.48Å; T894-L908 HydrophobicContact CG2-CD1 3.69Å; T894-L908 HydrophobicContact CG2-CD2 4.12Å |
| 895 | M | 91.2 | Very high | 88.8 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.005 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.6 | -46.8 | 174.7 | -75.8 | -172.9 | 159.3 | 0 | 0 | 112.2 | T891 L892 S897 S898 Y899 M905 L908 Y909 L912 V1027 | T891-M895 HydrophobicContact CG2-CE 4.46Å; T891-M895 WeakPolarHBondContact O-CG 3.24Å; T891-M895 PolarHBondContact O-N 3.02Å; L892-M895 HydrophobicContact CD2-SD 4.47Å; L892-M895 PolarHBondContact O-N 3.4Å; M895-S897 VanDerWaalsContact C-N 3.26Å; M895-S897 PolarHBondContact O-N 3.33Å; M895-S898 PolarHBondContact O-N 3.39Å; M895-Y899 PolarHBondContact O-N 3.3Å; M895-M905 VanDerWaalsContact CA-SD 3.57Å; M895-M905 HydrophobicContact CB-CE 4.2Å; M895-M905 HydrophobicContact CB-SD 3.76Å; M895-M905 HydrophobicContact CG-CE 4.33Å; M895-M905 HydrophobicContact CG-SD 3.81Å; M895-L908 HydrophobicContact CE-CB 3.54Å; M895-L908 WeakPolarHBondContact CE-O 3.34Å; M895-L908 HydrophobicContact CG-CB 3.72Å; M895-L908 HydrophobicContact CG-CD1 3.79Å; M895-L908 HydrophobicContact CG-CG 4.35Å; M895-L908 HydrophobicContact SD-CB 4.47Å; M895-Y909 HydrophobicContact CE-CD2 4.28Å; M895-L912 HydrophobicContact CE-CD1 3.56Å; M895-L912 HydrophobicContact CE-CG 4.23Å; M895-L912 HydrophobicContact SD-CD1 3.73Å; M895-V1027 HydrophobicContact SD-CB 4.28Å; M895-V1027 HydrophobicContact SD-CG1 4.23Å; M895-V1027 HydrophobicContact SD-CG2 3.86Å |
| 896 | R | 91.6 | Very high | 88.2 | Confident | 66 Ų | 66 | 69.4 Ų | 69.4 | 25% | 0.249 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.8 | -43 | 177.2 | -172.2 | -176 | -176.4 | 178.9 | 4.9 | 112.3 | L892 V1023 E1080 | L892-R896 WeakPolarHBondContact O-CB 3.44Å; L892-R896 PolarHBondContact O-N 3.39Å; R896-V1023 HydrophobicContact CB-CG1 4.16Å; R896-V1023 HydrophobicContact CB-CG2 4.02Å; R896-V1023 HydrophobicContact CG-CG2 3.81Å; R896-E1080 IonicContact CZ-OE1 2.64Å; R896-E1080 VanDerWaalsContact CZ-OE1 3.3Å; R896-E1080 IonicContact CZ-OE2 3.58Å; R896-E1080 IonicContact NE-OE1 3.63Å; R896-E1080 PolarHBondContact NE-OE1 3.28Å; R896-E1080 IonicContact NE-OE2 3.3Å; R896-E1080 VanDerWaalsContact NH2-CD 3.34Å; R896-E1080 IonicContact NH2-OE1 2.78Å; R896-E1080 PolarHBondContact NH2-OE1 3.36Å; R896-E1080 IonicContact NH2-OE2 3.31Å; R896-E1080 PolarHBondContact NH2-OE2 3.42Å |
| 897 | S | 88.9 | Confident | 87.8 | Confident | 83 Ų | 83 | 68.1 Ų | 68.1 | 58% | 0.58 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -86.3 | -15.5 | -177.8 | 53.3 | 0 | 0 | 0 | 0 | 114.7 | R893 T894 M895 | R893-S897 PolarHBondContact O-N 3.46Å; R893-S897 PolarHBondContact O-OG 3.38Å; T894-S897 PolarHBondContact O-N 3.3Å; T894-S897 PolarHBondContact O-OG 2.97Å; T894-S897 VanDerWaalsContact O-OG 3.11Å; M895-S897 VanDerWaalsContact C-N 3.26Å; M895-S897 PolarHBondContact O-N 3.33Å |
| 898 | S | 86.3 | Confident | 87.6 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.028 | 31% | 0.307 | C | S | . | . | trans | -115.4 | 23.5 | -175.5 | -50.3 | 0 | 0 | 0 | 0 | 112.6 | T894 M895 D900 R901 K904 M905 | T894-S898 WeakPolarHBondContact O-CB 3.39Å; T894-S898 PolarHBondContact O-N 3.05Å; T894-S898 PolarHBondContact O-OG 3.48Å; M895-S898 PolarHBondContact O-N 3.39Å; S898-D900 PolarHBondContact O-N 2.86Å; S898-R901 PolarHBondContact O-N 2.92Å; S898-K904 WeakPolarHBondContact OG-CE 3.36Å; S898-K904 PolarHBondContact OG-NZ 2.88Å; S898-M905 VanDerWaalsContact O-CG 3.22Å; S898-M905 WeakPolarHBondContact O-CG 3.23Å | ||
| 899 | Y | 79.6 | Confident | 87.3 | Confident | 122 Ų | 122 | 64.2 Ų | 64.2 | 48% | 0.478 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -28.4 | -176.3 | 76.3 | -87.4 | 0 | 0 | 0 | 111.7 | M895 R901 L1084 R1091 | M895-Y899 PolarHBondContact O-N 3.3Å; Y899-R901 PolarHBondContact O-N 3.48Å; Y899-L1084 VanDerWaalsContact CB-CD2 3.42Å; Y899-L1084 HydrophobicContact CD1-CD2 4.47Å; Y899-L1084 HydrophobicContact CG-CD2 3.93Å; Y899-R1091 VanDerWaalsContact O-CZ 3.26Å; Y899-R1091 PolarHBondContact O-NH1 2.91Å; Y899-R1091 PolarHBondContact O-NH2 3.49Å |
| 900 | D | 79.5 | Confident | 86.9 | Confident | 105 Ų | 105 | 67.6 Ų | 67.6 | 56% | 0.561 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -5.9 | 174.9 | 66 | -38 | 0 | 0 | 0 | 114.6 | S898 P902 | S898-D900 PolarHBondContact O-N 2.86Å; D900-P902 WeakPolarHBondContact O-CD 3.38Å |
| 901 | R | 85.1 | Confident | 86.5 | Confident | 144 Ų | 144 | 66.7 Ų | 66.7 | 54% | 0.543 | 31% | 0.314 | S | S | . | . | trans | -113.3 | 95.4 | -175.4 | -61.4 | -177.3 | -170.3 | -172.3 | 3.4 | 112.1 | S898 Y899 D903 K904 M905 | S898-R901 PolarHBondContact O-N 2.92Å; Y899-R901 PolarHBondContact O-N 3.48Å; R901-D903 PolarHBondContact O-N 3.08Å; R901-K904 HydrophobicContact CB-CB 3.97Å; R901-K904 PolarHBondContact O-N 3.29Å; R901-M905 WeakPolarHBondContact O-CB 3.25Å; R901-M905 WeakPolarHBondContact O-CG 3.41Å; R901-M905 PolarHBondContact O-N 3.01Å | ||
| 902 | P | 79.6 | Confident | 86.2 | Confident | 67 Ų | 67 | 65.7 Ų | 65.7 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -57.5 | -49.8 | -173.5 | -25 | 33.9 | 0 | 0 | 0 | 114.2 | D900 K904 M905 R906 | D900-P902 WeakPolarHBondContact O-CD 3.38Å; P902-K904 PolarHBondContact O-N 3.07Å; P902-M905 PolarHBondContact O-N 2.93Å; P902-R906 PolarHBondContact O-N 3.29Å |
| 903 | D | 83 | Confident | 85.6 | Confident | 106 Ų | 106 | 68.1 Ų | 68.1 | 57% | 0.567 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.7 | -40 | -176.4 | -62.7 | -55 | 0 | 0 | 0 | 112.4 | R901 R906 T907 | R901-D903 PolarHBondContact O-N 3.08Å; D903-R906 WeakPolarHBondContact O-CB 3.48Å; D903-R906 PolarHBondContact O-N 2.75Å; D903-R906 IonicContact OD1-CZ 3.47Å; D903-R906 IonicContact OD1-NH1 2.87Å; D903-R906 PolarHBondContact OD1-NH1 3.17Å; D903-R906 IonicContact OD1-NH2 3.51Å; D903-T907 PolarHBondContact O-N 3.38Å; D903-T907 VanDerWaalsContact O-N 3.15Å; D903-T907 PolarHBondContact O-OG1 3.11Å |
| 904 | K | 85.2 | Confident | 84.6 | Confident | 81 Ų | 81 | 69.6 Ų | 69.6 | 35% | 0.352 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65 | -42.2 | 176.4 | -171.6 | 177.9 | 176.5 | -164.4 | 0 | 111.2 | S898 R901 P902 R906 T907 L908 | S898-K904 WeakPolarHBondContact OG-CE 3.36Å; S898-K904 PolarHBondContact OG-NZ 2.88Å; R901-K904 HydrophobicContact CB-CB 3.97Å; R901-K904 PolarHBondContact O-N 3.29Å; P902-K904 PolarHBondContact O-N 3.07Å; K904-R906 VanDerWaalsContact C-N 3.31Å; K904-R906 PolarHBondContact O-N 3.3Å; K904-T907 PolarHBondContact O-N 3.47Å; K904-L908 HydrophobicContact CG-CD1 4.15Å; K904-L908 VanDerWaalsContact O-CG 3.29Å; K904-L908 WeakPolarHBondContact O-CG 3.42Å; K904-L908 PolarHBondContact O-N 3.36Å |
| 905 | M | 84.1 | Confident | 82.9 | Confident | 13 Ų | 13 | 71 Ų | 71 | 6% | 0.064 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 175.6 | -76.5 | -73.4 | -70.2 | 0 | 0 | 111.9 | M895 S898 R901 P902 L908 Y909 V1027 R1091 | M895-M905 VanDerWaalsContact CA-SD 3.57Å; M895-M905 HydrophobicContact CB-CE 4.2Å; M895-M905 HydrophobicContact CB-SD 3.76Å; M895-M905 HydrophobicContact CG-CE 4.33Å; M895-M905 HydrophobicContact CG-SD 3.81Å; S898-M905 VanDerWaalsContact O-CG 3.22Å; S898-M905 WeakPolarHBondContact O-CG 3.23Å; R901-M905 WeakPolarHBondContact O-CB 3.25Å; R901-M905 WeakPolarHBondContact O-CG 3.41Å; R901-M905 PolarHBondContact O-N 3.01Å; P902-M905 PolarHBondContact O-N 2.93Å; M905-L908 PolarHBondContact O-N 3.44Å; M905-Y909 WeakPolarHBondContact O-CB 3.45Å; M905-Y909 PolarHBondContact O-N 3.31Å; M905-V1027 HydrophobicContact CE-CG1 4Å; M905-R1091 VanDerWaalsContact CG-NH1 3.33Å |
| 906 | R | 82.5 | Confident | 81.3 | Confident | 79 Ų | 79 | 75.8 Ų | 75.8 | 30% | 0.298 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -60.5 | -45.3 | 175.3 | -162.9 | -171.5 | -63.4 | 127 | -3.7 | 112 | P902 D903 K904 Y909 R910 D1095 | P902-R906 PolarHBondContact O-N 3.29Å; D903-R906 WeakPolarHBondContact O-CB 3.48Å; D903-R906 PolarHBondContact O-N 2.75Å; D903-R906 IonicContact OD1-CZ 3.47Å; D903-R906 IonicContact OD1-NH1 2.87Å; D903-R906 PolarHBondContact OD1-NH1 3.17Å; D903-R906 IonicContact OD1-NH2 3.51Å; K904-R906 VanDerWaalsContact C-N 3.31Å; K904-R906 PolarHBondContact O-N 3.3Å; R906-Y909 PolarHBondContact O-N 3.44Å; R906-R910 PolarHBondContact O-N 3.18Å; R906-D1095 IonicContact CZ-OD1 2.8Å; R906-D1095 IonicContact NE-OD1 3.85Å; R906-D1095 PolarHBondContact NE-OD1 2.98Å; R906-D1095 IonicContact NE-OD2 3.63Å; R906-D1095 IonicContact NH2-OD1 2.73Å; R906-D1095 PolarHBondContact NH2-OD1 3.36Å |
| 907 | T | 85 | Confident | 79.4 | Confident | 66 Ų | 66 | 78.1 Ų | 78.1 | 41% | 0.405 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -46.5 | 175.7 | -58 | 0 | 0 | 0 | 0 | 111.8 | D903 K904 Y909 R910 H911 | D903-T907 PolarHBondContact O-N 3.38Å; D903-T907 VanDerWaalsContact O-N 3.15Å; D903-T907 PolarHBondContact O-OG1 3.11Å; K904-T907 PolarHBondContact O-N 3.47Å; T907-Y909 VanDerWaalsContact C-N 3.27Å; T907-Y909 PolarHBondContact O-N 3.33Å; T907-R910 PolarHBondContact O-N 2.88Å; T907-H911 PolarHBondContact O-N 3.15Å |
| 908 | L | 86.4 | Confident | 77.8 | Confident | 16 Ų | 16 | 81.4 Ų | 81.4 | 8% | 0.084 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.5 | -36.3 | 178.6 | -68.2 | 167.6 | 0 | 0 | 0 | 111.8 | T891 T894 M895 K904 M905 R910 H911 | T891-L908 HydrophobicContact CG2-CB 4.16Å; T891-L908 HydrophobicContact CG2-CD2 4.19Å; T891-L908 WeakPolarHBondContact CG2-O 3.41Å; T894-L908 HydrophobicContact CG2-CD1 3.69Å; T894-L908 HydrophobicContact CG2-CD2 4.12Å; M895-L908 HydrophobicContact CE-CB 3.54Å; M895-L908 WeakPolarHBondContact CE-O 3.34Å; M895-L908 HydrophobicContact CG-CB 3.72Å; M895-L908 HydrophobicContact CG-CD1 3.79Å; M895-L908 HydrophobicContact CG-CG 4.35Å; M895-L908 HydrophobicContact SD-CB 4.47Å; K904-L908 HydrophobicContact CG-CD1 4.15Å; K904-L908 VanDerWaalsContact O-CG 3.29Å; K904-L908 WeakPolarHBondContact O-CG 3.42Å; K904-L908 PolarHBondContact O-N 3.36Å; M905-L908 PolarHBondContact O-N 3.44Å; L908-R910 VanDerWaalsContact C-N 3.33Å; L908-H911 WeakPolarHBondContact O-CB 3.31Å; L908-H911 PolarHBondContact O-N 3.44Å; L908-H911 VanDerWaalsContact O-N 3.15Å |
| 909 | Y | 87 | Confident | 75.9 | Confident | 48 Ų | 48 | 87.4 Ų | 87.4 | 19% | 0.188 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.4 | -34.7 | -179.9 | -174.3 | -105.5 | 0 | 0 | 0 | 112.1 | M895 M905 R906 T907 H911 L912 I913 V925 V1027 K1031 | M895-Y909 HydrophobicContact CE-CD2 4.28Å; M905-Y909 WeakPolarHBondContact O-CB 3.45Å; M905-Y909 PolarHBondContact O-N 3.31Å; R906-Y909 PolarHBondContact O-N 3.44Å; T907-Y909 VanDerWaalsContact C-N 3.27Å; T907-Y909 PolarHBondContact O-N 3.33Å; Y909-H911 VanDerWaalsContact C-N 3.27Å; Y909-H911 PolarHBondContact O-N 3.03Å; Y909-L912 HydrophobicContact CD2-CD1 4.45Å; Y909-L912 WeakPolarHBondContact O-CB 3.45Å; Y909-L912 PolarHBondContact O-N 3.17Å; Y909-I913 HydrophobicContact CD1-CD1 3.69Å; Y909-I913 HydrophobicContact CE1-CD1 3.12Å; Y909-I913 HydrophobicContact CE1-CG1 4.22Å; Y909-I913 HydrophobicContact CE2-CD1 4.46Å; Y909-I913 PolarHBondContact O-N 3Å; Y909-V925 HydrophobicContact CE2-CG2 4.27Å; Y909-V1027 VanDerWaalsContact CE2-O 3.24Å; Y909-V1027 WeakPolarHBondContact CE2-O 3.2Å; Y909-K1031 WeakPolarHBondContact OH-CB 3.45Å |
| 910 | R | 84.2 | Confident | 74.5 | Confident | 127 Ų | 127 | 92.2 Ų | 92.2 | 48% | 0.479 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.4 | -38.2 | 170.4 | -67.7 | -174.3 | -157.9 | 139.9 | 3.1 | 112.2 | R906 T907 L908 L912 I913 E914 | R906-R910 PolarHBondContact O-N 3.18Å; T907-R910 PolarHBondContact O-N 2.88Å; L908-R910 VanDerWaalsContact C-N 3.33Å; R910-L912 PolarHBondContact O-N 2.92Å; R910-L912 VanDerWaalsContact O-N 3.16Å; R910-I913 PolarHBondContact O-N 3.14Å; R910-E914 HydrophobicContact CB-CG 4.47Å; R910-E914 WeakPolarHBondContact O-CB 3.32Å; R910-E914 WeakPolarHBondContact O-CG 3.48Å; R910-E914 PolarHBondContact O-N 2.75Å |
| 911 | H | 85.6 | Confident | 73.1 | Confident | 98 Ų | 98 | 91.9 Ų | 91.9 | 45% | 0.454 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.6 | -21.6 | 176.1 | -59.1 | 166.8 | 0 | 0 | 0 | 113.7 | T891 T907 L908 Y909 | T891-H911 HydrophobicContact CG2-CB 4.18Å; T907-H911 PolarHBondContact O-N 3.15Å; L908-H911 WeakPolarHBondContact O-CB 3.31Å; L908-H911 PolarHBondContact O-N 3.44Å; L908-H911 VanDerWaalsContact O-N 3.15Å; Y909-H911 VanDerWaalsContact C-N 3.27Å; Y909-H911 PolarHBondContact O-N 3.03Å |
| 912 | L | 86.4 | Confident | 71.7 | Confident | 4 Ų | 4 | 90.5 Ų | 90.5 | 2% | 0.021 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -84.8 | -22.2 | 175.7 | -59.7 | 176.9 | 0 | 0 | 0 | 112.7 | N888 T891 L892 M895 Y909 R910 N923 A924 V925 F1024 V1027 | N888-L912 HydrophobicContact CB-CD2 3.72Å; N888-L912 WeakPolarHBondContact OD1-CD2 3.35Å; T891-L912 HydrophobicContact CG2-CD2 3.83Å; T891-L912 HydrophobicContact CG2-CG 4.04Å; L892-L912 HydrophobicContact CD2-CD1 4.25Å; L892-L912 HydrophobicContact CD2-CD2 4.41Å; M895-L912 HydrophobicContact CE-CD1 3.56Å; M895-L912 HydrophobicContact CE-CG 4.23Å; M895-L912 HydrophobicContact SD-CD1 3.73Å; Y909-L912 HydrophobicContact CD2-CD1 4.45Å; Y909-L912 WeakPolarHBondContact O-CB 3.45Å; Y909-L912 PolarHBondContact O-N 3.17Å; R910-L912 PolarHBondContact O-N 2.92Å; R910-L912 VanDerWaalsContact O-N 3.16Å; L912-N923 PolarHBondContact O-OD1 2.63Å; L912-A924 WeakPolarHBondContact O-CB 3.29Å; L912-A924 PolarHBondContact O-N 3.05Å; L912-V925 HydrophobicContact CB-CG2 3.72Å; L912-F1024 HydrophobicContact CD1-CD2 4.19Å; L912-F1024 HydrophobicContact CD1-CE2 3.86Å; L912-F1024 HydrophobicContact CD2-CE2 4.12Å; L912-F1024 HydrophobicContact CD2-CZ 4.26Å; L912-F1024 HydrophobicContact CG-CE2 4.4Å; L912-V1027 HydrophobicContact CD1-CG2 4.22Å |
| 913 | I | 81.3 | Confident | 71.8 | Confident | 52 Ų | 52 | 88.2 Ų | 88.2 | 27% | 0.267 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -99.9 | -38.3 | -176.9 | -65.5 | 175.9 | 0 | 0 | 0 | 112.4 | Y909 R910 S915 N923 V925 | Y909-I913 HydrophobicContact CD1-CD1 3.69Å; Y909-I913 HydrophobicContact CE1-CD1 3.12Å; Y909-I913 HydrophobicContact CE1-CG1 4.22Å; Y909-I913 HydrophobicContact CE2-CD1 4.46Å; Y909-I913 PolarHBondContact O-N 3Å; R910-I913 PolarHBondContact O-N 3.14Å; I913-S915 PolarHBondContact O-N 3.35Å; I913-S915 VanDerWaalsContact O-N 3.12Å; I913-N923 WeakPolarHBondContact CA-OD1 3.25Å; I913-V925 HydrophobicContact CG1-CB 4.46Å; I913-V925 HydrophobicContact CG1-CG2 3.87Å |
| 914 | E | 71.7 | Confident | 72 | Confident | 133 Ų | 133 | 84 Ų | 84 | 62% | 0.621 | 42% | 0.416 | S | S | * | . | trans | -61.7 | 114.5 | -174.9 | -78.5 | 176.1 | -173.9 | 0 | 0 | 110.7 | R910 | R910-E914 HydrophobicContact CB-CG 4.47Å; R910-E914 WeakPolarHBondContact O-CB 3.32Å; R910-E914 WeakPolarHBondContact O-CG 3.48Å; R910-E914 PolarHBondContact O-N 2.75Å | ||
| 915 | S | 57.8 | Low | 72.3 | Confident | 76 Ų | 76 | 80.1 Ų | 80.1 | 53% | 0.531 | 40% | 0.4 | S | S | . | . | trans | -81.8 | 123.2 | 170.6 | 48.9 | 0 | 0 | 0 | 0 | 109.1 | I913 S917 Q921 | I913-S915 PolarHBondContact O-N 3.35Å; I913-S915 VanDerWaalsContact O-N 3.12Å; S915-S917 PolarHBondContact O-N 2.9Å; S915-Q921 WeakPolarHBondContact CB-O 3.42Å | ||
| 916 | D | 55.6 | Low | 72.5 | Confident | 101 Ų | 101 | 82.5 Ų | 82.5 | 54% | 0.54 | 41% | 0.413 | S | S | . | . | trans | -59.4 | 121.9 | 172.3 | -163.5 | -1.9 | 0 | 0 | 0 | 108.8 | N918 K919 | D916-N918 PolarHBondContact O-N 3.34Å; D916-K919 PolarHBondContact O-N 3.16Å; D916-K919 VanDerWaalsContact O-O 3.14Å | ||
| 917 | S | 53.3 | Low | 73 | Confident | 116 Ų | 116 | 80.2 Ų | 80.2 | 81% | 0.811 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -14.7 | -170.5 | 49.6 | 0 | 0 | 0 | 0 | 115.4 | S915 | S915-S917 PolarHBondContact O-N 2.9Š|
| 918 | N | 54.2 | Low | 73.5 | Confident | 152 Ų | 152 | 77.1 Ų | 77.1 | 81% | 0.813 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -1.8 | 177.3 | -77.1 | -26.1 | 0 | 0 | 0 | 115.5 | D916 | D916-N918 PolarHBondContact O-N 3.34Š|
| 919 | K | 47.7 | Very low | 73.9 | Confident | 129 Ų | 129 | 76.9 Ų | 76.9 | 56% | 0.561 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -125.7 | 128.9 | 174.6 | -70.5 | 178.5 | -177.3 | 170.3 | 0 | 108.9 | D916 Q921 | D916-K919 PolarHBondContact O-N 3.16Å; D916-K919 VanDerWaalsContact O-O 3.14Å; K919-Q921 HydrophobicContact CB-CB 4.35Å; K919-Q921 HydrophobicContact CB-CG 4.35Å; K919-Q921 PolarHBondContact O-N 2.94Å |
| 920 | K | 49.2 | Very low | 74.2 | Confident | 223 Ų | 223 | 78.4 Ų | 78.4 | 97% | 0.97 | 40% | 0.395 | S | S | * | . | trans | -67.1 | 52.2 | 164 | -77.5 | -175.1 | 173 | -178.5 | 0 | 110.7 | ||||
| 921 | Q | 50.2 | Low | 74.8 | Confident | 98 Ų | 98 | 74.7 Ų | 74.7 | 46% | 0.458 | 38% | 0.381 | S | S | . | . | trans | -83.7 | 120.9 | 172.3 | -98.4 | 177.9 | -41.6 | 0 | 0 | 108.3 | S915 K919 | S915-Q921 WeakPolarHBondContact CB-O 3.42Å; K919-Q921 HydrophobicContact CB-CB 4.35Å; K919-Q921 HydrophobicContact CB-CG 4.35Å; K919-Q921 PolarHBondContact O-N 2.94Å | ||
| 922 | I | 56.1 | Low | 75.4 | Confident | 116 Ų | 116 | 70 Ų | 70 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | trans | -59.9 | 139.3 | 168.1 | -62.8 | 167.7 | 0 | 0 | 0 | 107.6 | A924 N927 | I922-A924 PolarHBondContact O-N 3.15Å; I922-N927 HydrophobicContact CG2-CB 4.19Å | ||
| 923 | N | 80.8 | Confident | 75.8 | Confident | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.102 | 36% | 0.36 | C | S | . | . | trans | -39.4 | 121.8 | 169.5 | 171.8 | 0.6 | 0 | 0 | 0 | 110.5 | L912 I913 V925 D926 N927 | L912-N923 PolarHBondContact O-OD1 2.63Å; I913-N923 WeakPolarHBondContact CA-OD1 3.25Å; N923-V925 PolarHBondContact O-N 3.32Å; N923-V925 VanDerWaalsContact OD1-CB 3.24Å; N923-V925 WeakPolarHBondContact OD1-CB 3.33Å; N923-V925 PolarHBondContact OD1-N 3.01Å; N923-D926 HydrophobicContact CB-CB 4.07Å; N923-D926 VanDerWaalsContact CB-OD2 3.3Å; N923-D926 WeakPolarHBondContact CB-OD2 3.32Å; N923-D926 PolarHBondContact ND2-OD1 2.99Å; N923-D926 PolarHBondContact ND2-OD2 2.98Å; N923-D926 PolarHBondContact O-N 2.9Å; N923-D926 VanDerWaalsContact O-N 3.12Å; N923-N927 PolarHBondContact O-N 3.36Å | ||
| 924 | A | 87.5 | Confident | 76.6 | Confident | 16 Ų | 16 | 68.9 Ų | 68.9 | 13% | 0.132 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -31.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L912 I922 L928 F1024 | L912-A924 WeakPolarHBondContact O-CB 3.29Å; L912-A924 PolarHBondContact O-N 3.05Å; I922-A924 PolarHBondContact O-N 3.15Å; A924-L928 VanDerWaalsContact O-CB 3.25Å; A924-L928 WeakPolarHBondContact O-CB 3.36Å; A924-L928 PolarHBondContact O-N 2.92Å; A924-F1024 HydrophobicContact CB-CZ 4.01Å |
| 925 | V | 91 | Very high | 77.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.9 | -47 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | Y909 L912 I913 N923 N927 L928 L929 F1024 K1031 | Y909-V925 HydrophobicContact CE2-CG2 4.27Å; L912-V925 HydrophobicContact CB-CG2 3.72Å; I913-V925 HydrophobicContact CG1-CB 4.46Å; I913-V925 HydrophobicContact CG1-CG2 3.87Å; N923-V925 PolarHBondContact O-N 3.32Å; N923-V925 VanDerWaalsContact OD1-CB 3.24Å; N923-V925 WeakPolarHBondContact OD1-CB 3.33Å; N923-V925 PolarHBondContact OD1-N 3.01Å; V925-N927 PolarHBondContact O-N 3.35Å; V925-L928 WeakPolarHBondContact O-CB 3.47Å; V925-L928 PolarHBondContact O-N 3.03Å; V925-L929 HydrophobicContact CG1-CD1 4.07Å; V925-L929 WeakPolarHBondContact O-CG 3.39Å; V925-L929 PolarHBondContact O-N 3.03Å; V925-F1024 HydrophobicContact CG2-CE2 4.31Å; V925-K1031 HydrophobicContact CG1-CB 3.69Å; V925-K1031 HydrophobicContact CG1-CG 3.82Å |
| 926 | D | 89.6 | Confident | 79.8 | Confident | 63 Ų | 63 | 59 Ų | 59 | 34% | 0.337 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | -179.2 | -65.9 | -26 | 0 | 0 | 0 | 110.9 | N923 L929 Q930 K1031 | N923-D926 HydrophobicContact CB-CB 4.07Å; N923-D926 VanDerWaalsContact CB-OD2 3.3Å; N923-D926 WeakPolarHBondContact CB-OD2 3.32Å; N923-D926 PolarHBondContact ND2-OD1 2.99Å; N923-D926 PolarHBondContact ND2-OD2 2.98Å; N923-D926 PolarHBondContact O-N 2.9Å; N923-D926 VanDerWaalsContact O-N 3.12Å; D926-L929 PolarHBondContact O-N 2.85Å; D926-Q930 WeakPolarHBondContact O-CB 3.31Å; D926-Q930 PolarHBondContact O-N 3.24Å; D926-K1031 WeakPolarHBondContact OD1-CE 3.45Å; D926-K1031 WeakPolarHBondContact OD1-CG 3.15Å |
| 927 | N | 92.4 | Very high | 81.8 | Confident | 32 Ų | 32 | 54.2 Ų | 54.2 | 17% | 0.171 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.4 | -41.7 | 175.6 | -169.9 | -0.6 | 0 | 0 | 0 | 111.7 | L884 I922 N923 V925 R931 | L884-N927 HydrophobicContact CD1-CB 4.3Å; I922-N927 HydrophobicContact CG2-CB 4.19Å; N923-N927 PolarHBondContact O-N 3.36Å; V925-N927 PolarHBondContact O-N 3.35Å; N927-R931 VanDerWaalsContact O-CG 3.29Å; N927-R931 WeakPolarHBondContact O-CG 3.33Å; N927-R931 PolarHBondContact O-N 3.18Å; N927-R931 PolarHBondContact OD1-NE 3.43Å |
| 928 | L | 95.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -54.5 | 174.5 | -174.6 | 90 | 0 | 0 | 0 | 110.7 | L881 L884 A924 V925 Q930 R931 V932 L1021 F1024 I1025 S1028 | L881-L928 HydrophobicContact CD2-CD1 3.5Å; L881-L928 VanDerWaalsContact CD2-CD1 3.5Å; L881-L928 HydrophobicContact CD2-CG 4.06Å; L884-L928 HydrophobicContact CD1-CB 4.26Å; L884-L928 HydrophobicContact CD1-CD1 4.32Å; A924-L928 VanDerWaalsContact O-CB 3.25Å; A924-L928 WeakPolarHBondContact O-CB 3.36Å; A924-L928 PolarHBondContact O-N 2.92Å; V925-L928 WeakPolarHBondContact O-CB 3.47Å; V925-L928 PolarHBondContact O-N 3.03Å; L928-Q930 PolarHBondContact O-N 3.38Å; L928-R931 PolarHBondContact O-N 3.04Å; L928-V932 HydrophobicContact CG-CG2 4.48Å; L928-V932 VanDerWaalsContact O-CG2 3.31Å; L928-V932 WeakPolarHBondContact O-CG2 3.42Å; L928-V932 PolarHBondContact O-N 3.09Å; L928-L1021 HydrophobicContact CD1-CD1 4.04Å; L928-F1024 HydrophobicContact CB-CZ 4.49Å; L928-F1024 HydrophobicContact CD1-CD1 3.64Å; L928-F1024 HydrophobicContact CD1-CE1 3.94Å; L928-F1024 HydrophobicContact CD1-CG 4.03Å; L928-F1024 HydrophobicContact CD2-CB 4.1Å; L928-F1024 HydrophobicContact CD2-CD1 4.1Å; L928-F1024 HydrophobicContact CD2-CD2 3.66Å; L928-F1024 HydrophobicContact CD2-CE1 4.48Å; L928-F1024 HydrophobicContact CD2-CE2 4.04Å; L928-F1024 HydrophobicContact CD2-CG 3.66Å; L928-F1024 HydrophobicContact CD2-CZ 4.45Å; L928-F1024 HydrophobicContact CG-CD1 4.43Å; L928-F1024 HydrophobicContact CG-CG 4.46Å; L928-I1025 HydrophobicContact CD2-CG1 4.15Å; L928-S1028 WeakPolarHBondContact CD2-OG 3.48Å |
| 929 | L | 93.9 | Very high | 85.9 | Confident | 11 Ų | 11 | 42.3 Ų | 42.3 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -44 | -177 | -71.2 | 173.8 | 0 | 0 | 0 | 111.8 | V925 D926 R931 V932 T933 K1031 L1032 I1054 | V925-L929 HydrophobicContact CG1-CD1 4.07Å; V925-L929 WeakPolarHBondContact O-CG 3.39Å; V925-L929 PolarHBondContact O-N 3.03Å; D926-L929 PolarHBondContact O-N 2.85Å; L929-R931 VanDerWaalsContact C-N 3.3Å; L929-R931 PolarHBondContact O-N 3.29Å; L929-V932 PolarHBondContact O-N 3.03Å; L929-T933 WeakPolarHBondContact O-CB 3.45Å; L929-T933 PolarHBondContact O-N 3.48Å; L929-T933 PolarHBondContact O-OG1 3.18Å; L929-K1031 HydrophobicContact CD1-CB 3.8Å; L929-K1031 HydrophobicContact CD1-CG 4.09Å; L929-L1032 HydrophobicContact CD1-CD2 3.93Å; L929-L1032 HydrophobicContact CD1-CG 4.22Å; L929-L1032 HydrophobicContact CD2-CD2 4.4Å; L929-I1054 HydrophobicContact CD2-CD1 4.39Å |
| 930 | Q | 93.9 | Very high | 88.3 | Confident | 80 Ų | 80 | 36.1 Ų | 36.1 | 37% | 0.374 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -56.6 | -44.8 | 176.4 | -175.2 | 179.4 | 19 | 0 | 0 | 111.7 | D926 L928 T933 I934 | D926-Q930 WeakPolarHBondContact O-CB 3.31Å; D926-Q930 PolarHBondContact O-N 3.24Å; L928-Q930 PolarHBondContact O-N 3.38Å; Q930-T933 PolarHBondContact O-N 2.72Å; Q930-I934 HydrophobicContact CG-CD1 4.17Å; Q930-I934 VanDerWaalsContact O-CG1 3.29Å; Q930-I934 WeakPolarHBondContact O-CG1 3.3Å; Q930-I934 PolarHBondContact O-N 3.2Å |
| 931 | R | 96.6 | Very high | 90.6 | Very high | 49 Ų | 49 | 25.5 Ų | 25.5 | 19% | 0.185 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.6 | -39.1 | 179.5 | -71.1 | 176 | -175.3 | -85.3 | 12.1 | 112.7 | E880 L881 N927 L928 L929 T933 I934 I935 | E880-R931 VanDerWaalsContact CB-NH1 3.26Å; E880-R931 IonicContact OE2-NH2 2.78Å; L881-R931 HydrophobicContact CD2-CB 3.69Å; L881-R931 HydrophobicContact CG-CB 4.21Å; N927-R931 VanDerWaalsContact O-CG 3.29Å; N927-R931 WeakPolarHBondContact O-CG 3.33Å; N927-R931 PolarHBondContact O-N 3.18Å; N927-R931 PolarHBondContact OD1-NE 3.43Å; L928-R931 PolarHBondContact O-N 3.04Å; L929-R931 VanDerWaalsContact C-N 3.3Å; L929-R931 PolarHBondContact O-N 3.29Å; R931-T933 VanDerWaalsContact C-N 3.33Å; R931-I934 PolarHBondContact O-N 3.17Å; R931-I935 VanDerWaalsContact O-CG1 3.31Å; R931-I935 WeakPolarHBondContact O-CG1 3.47Å; R931-I935 PolarHBondContact O-N 3.45Å |
| 932 | V | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -64.7 | -40.3 | 174.9 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | L881 L928 L929 I935 G936 I1025 I1054 A1057 I1058 | L881-V932 HydrophobicContact CD1-CG2 3.94Å; L881-V932 HydrophobicContact CD2-CG2 3.98Å; L928-V932 HydrophobicContact CG-CG2 4.48Å; L928-V932 VanDerWaalsContact O-CG2 3.31Å; L928-V932 WeakPolarHBondContact O-CG2 3.42Å; L928-V932 PolarHBondContact O-N 3.09Å; L929-V932 PolarHBondContact O-N 3.03Å; V932-I935 PolarHBondContact O-N 3.26Å; V932-G936 PolarHBondContact O-N 3.46Å; V932-I1025 HydrophobicContact CG2-CD1 3.99Å; V932-I1025 HydrophobicContact CG2-CG1 4.04Å; V932-I1054 HydrophobicContact CG1-CB 4.33Å; V932-I1054 HydrophobicContact CG1-CG1 4.17Å; V932-I1054 HydrophobicContact CG1-CG2 3.86Å; V932-A1057 HydrophobicContact CG1-CB 3.73Å; V932-A1057 WeakPolarHBondContact O-CB 3.41Å; V932-I1058 HydrophobicContact CG1-CG1 4.48Å |
| 933 | T | 96.3 | Very high | 94.7 | Very high | 4 Ų | 4 | 18.2 Ų | 18.2 | 3% | 0.025 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 173.1 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | Y817 L929 Q930 R931 I935 G936 E937 N1050 | Y817-T933 HydrophobicContact CE1-CG2 4.39Å; L929-T933 WeakPolarHBondContact O-CB 3.45Å; L929-T933 PolarHBondContact O-N 3.48Å; L929-T933 PolarHBondContact O-OG1 3.18Å; Q930-T933 PolarHBondContact O-N 2.72Å; R931-T933 VanDerWaalsContact C-N 3.33Å; T933-I935 VanDerWaalsContact C-N 3.3Å; T933-I935 PolarHBondContact O-N 2.83Å; T933-G936 CarbonylContact O-C 3.59Å; T933-G936 WeakPolarHBondContact O-CA 3.24Å; T933-G936 PolarHBondContact O-N 3.37Å; T933-E937 HydrophobicContact CG2-CG 4.34Å; T933-E937 WeakPolarHBondContact O-CG 3.33Å; T933-E937 PolarHBondContact O-N 3Å; T933-N1050 HydrophobicContact CG2-CB 3.9Å |
| 934 | I | 97.5 | Very high | 95.4 | Very high | 29 Ų | 29 | 17.5 Ų | 17.5 | 15% | 0.149 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -57.5 | -42.6 | 177 | -69.5 | 167 | 0 | 0 | 0 | 111.6 | Q877 Q930 R931 G936 E937 I938 | Q877-I934 HydrophobicContact CG-CG2 4.27Å; Q930-I934 HydrophobicContact CG-CD1 4.17Å; Q930-I934 VanDerWaalsContact O-CG1 3.29Å; Q930-I934 WeakPolarHBondContact O-CG1 3.3Å; Q930-I934 PolarHBondContact O-N 3.2Å; R931-I934 PolarHBondContact O-N 3.17Å; I934-G936 VanDerWaalsContact C-N 3.29Å; I934-G936 PolarHBondContact O-N 3.21Å; I934-E937 PolarHBondContact O-N 2.73Å; I934-I938 HydrophobicContact CG2-CD1 3.91Å; I934-I938 VanDerWaalsContact O-CG1 3.32Å; I934-I938 WeakPolarHBondContact O-CG1 3.4Å; I934-I938 PolarHBondContact O-N 3.38Å |
| 935 | I | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -58.3 | -46.5 | 174.8 | -71.4 | 168.3 | 0 | 0 | 0 | 110.1 | V874 Q877 I878 L881 R931 V932 T933 E937 I938 I939 A1057 I1061 | V874-I935 HydrophobicContact CG1-CG1 4.22Å; V874-I935 HydrophobicContact CG1-CG2 3.75Å; Q877-I935 HydrophobicContact CB-CD1 3.69Å; Q877-I935 HydrophobicContact CB-CG1 3.52Å; Q877-I935 HydrophobicContact CG-CG1 4.18Å; I878-I935 HydrophobicContact CG1-CD1 3.88Å; L881-I935 HydrophobicContact CD1-CD1 3.53Å; R931-I935 VanDerWaalsContact O-CG1 3.31Å; R931-I935 WeakPolarHBondContact O-CG1 3.47Å; R931-I935 PolarHBondContact O-N 3.45Å; V932-I935 PolarHBondContact O-N 3.26Å; T933-I935 VanDerWaalsContact C-N 3.3Å; T933-I935 PolarHBondContact O-N 2.83Å; I935-E937 PolarHBondContact O-N 3.29Å; I935-I938 PolarHBondContact O-N 3.18Å; I935-I939 HydrophobicContact CG2-CD1 3.5Å; I935-I939 VanDerWaalsContact CG2-CD1 3.5Å; I935-I939 HydrophobicContact CG2-CG1 4.45Å; I935-I939 WeakPolarHBondContact O-CD1 3.38Å; I935-I939 VanDerWaalsContact O-CG1 3.29Å; I935-I939 WeakPolarHBondContact O-CG1 3.46Å; I935-I939 PolarHBondContact O-N 2.98Å; I935-A1057 HydrophobicContact CB-CB 4.13Å; I935-A1057 HydrophobicContact CG2-CB 3.79Å; I935-I1061 HydrophobicContact CD1-CD1 3.85Å; I935-I1061 HydrophobicContact CD1-CG1 4.4Å; I935-I1061 HydrophobicContact CG2-CD1 4.23Å; I935-I1061 HydrophobicContact CG2-CG1 4.29Å |
| 936 | G | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.6 | -40.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V932 T933 I934 I939 S940 C1053 | V932-G936 PolarHBondContact O-N 3.46Å; T933-G936 CarbonylContact O-C 3.59Å; T933-G936 WeakPolarHBondContact O-CA 3.24Å; T933-G936 PolarHBondContact O-N 3.37Å; I934-G936 VanDerWaalsContact C-N 3.29Å; I934-G936 PolarHBondContact O-N 3.21Å; G936-I939 PolarHBondContact O-N 3.44Å; G936-S940 VanDerWaalsContact O-CB 3.28Å; G936-S940 WeakPolarHBondContact O-CB 3.35Å; G936-S940 PolarHBondContact O-N 3.49Å; G936-S940 PolarHBondContact O-OG 2.9Å; G936-C1053 VanDerWaalsContact CA-O 3.22Å; G936-C1053 WeakPolarHBondContact CA-O 3.36Å |
| 937 | E | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.009 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -62 | -46.8 | 176.7 | -70.7 | 169.4 | 165.5 | 0 | 0 | 111.3 | V814 S815 T933 I934 I935 S940 F941 N1050 C1053 | V814-E937 HydrophobicContact CG1-CB 3.89Å; V814-E937 VanDerWaalsContact CG1-CD 3.45Å; V814-E937 HydrophobicContact CG1-CG 3.63Å; S815-E937 WeakPolarHBondContact CA-OE2 3.5Å; S815-E937 PolarHBondContact N-OE2 3.03Å; T933-E937 HydrophobicContact CG2-CG 4.34Å; T933-E937 WeakPolarHBondContact O-CG 3.33Å; T933-E937 PolarHBondContact O-N 3Å; I934-E937 PolarHBondContact O-N 2.73Å; I935-E937 PolarHBondContact O-N 3.29Å; E937-S940 PolarHBondContact O-N 2.85Å; E937-F941 PolarHBondContact O-N 3.33Å; E937-N1050 HydrophobicContact CG-CB 4.02Å; E937-N1050 VanDerWaalsContact OE1-CB 3.23Å; E937-N1050 WeakPolarHBondContact OE1-CB 3.32Å; E937-N1050 PolarHBondContact OE1-ND2 3.37Å; E937-C1053 HydrophobicContact CG-CB 4.42Å |
| 938 | I | 98.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 14.8 Ų | 14.8 | 7% | 0.072 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 178.6 | -65.6 | 168.1 | 0 | 0 | 0 | 111 | L811 L870 M871 H873 V874 I934 I935 S940 F941 R942 | L811-I938 HydrophobicContact CD1-CG1 4.43Å; L870-I938 HydrophobicContact CB-CG2 3.88Å; L870-I938 HydrophobicContact CD2-CG2 3.8Å; L870-I938 HydrophobicContact CG-CG2 4.43Å; M871-I938 HydrophobicContact CE-CG2 4.24Å; H873-I938 HydrophobicContact CB-CD1 4.21Å; V874-I938 HydrophobicContact CG2-CB 3.97Å; V874-I938 HydrophobicContact CG2-CD1 4.29Å; V874-I938 HydrophobicContact CG2-CG2 3.6Å; I934-I938 HydrophobicContact CG2-CD1 3.91Å; I934-I938 VanDerWaalsContact O-CG1 3.32Å; I934-I938 WeakPolarHBondContact O-CG1 3.4Å; I934-I938 PolarHBondContact O-N 3.38Å; I935-I938 PolarHBondContact O-N 3.18Å; I938-S940 VanDerWaalsContact C-N 3.34Å; I938-F941 PolarHBondContact O-N 3.3Å; I938-R942 PolarHBondContact O-N 3.37Å |
| 939 | I | 97.2 | Very high | 96.9 | Very high | 3 Ų | 3 | 14.9 Ų | 14.9 | 2% | 0.015 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.7 | -42.9 | 176.9 | -68.3 | 159.8 | 0 | 0 | 0 | 110.2 | V874 I935 G936 F941 R942 D943 K1056 S1060 | V874-I939 HydrophobicContact CG2-CG1 4.48Å; I935-I939 HydrophobicContact CG2-CD1 3.5Å; I935-I939 VanDerWaalsContact CG2-CD1 3.5Å; I935-I939 HydrophobicContact CG2-CG1 4.45Å; I935-I939 WeakPolarHBondContact O-CD1 3.38Å; I935-I939 VanDerWaalsContact O-CG1 3.29Å; I935-I939 WeakPolarHBondContact O-CG1 3.46Å; I935-I939 PolarHBondContact O-N 2.98Å; G936-I939 PolarHBondContact O-N 3.44Å; I939-F941 VanDerWaalsContact C-N 3.32Å; I939-F941 PolarHBondContact O-N 3.15Å; I939-R942 WeakPolarHBondContact O-CB 3.42Å; I939-R942 PolarHBondContact O-N 3.35Å; I939-R942 VanDerWaalsContact O-N 3.1Å; I939-D943 VanDerWaalsContact O-CG 3.23Å; I939-D943 PolarHBondContact O-N 3.43Å; I939-K1056 HydrophobicContact CG2-CB 4.16Å; I939-S1060 VanDerWaalsContact CD1-CB 3.43Å |
| 940 | S | 96.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.9 | -42.3 | 178.9 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | G936 E937 I938 L944 K1056 | G936-S940 VanDerWaalsContact O-CB 3.28Å; G936-S940 WeakPolarHBondContact O-CB 3.35Å; G936-S940 PolarHBondContact O-N 3.49Å; G936-S940 PolarHBondContact O-OG 2.9Å; E937-S940 PolarHBondContact O-N 2.85Å; I938-S940 VanDerWaalsContact C-N 3.34Å; S940-L944 PolarHBondContact O-N 3.18Å; S940-K1056 WeakPolarHBondContact OG-CD 3.03Å |
| 941 | F | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 172.6 | 174.3 | -101.7 | 0 | 0 | 0 | 112 | Y806 L811 F828 T846 L851 M866 L870 E937 I938 I939 D943 L944 L945 | Y806-F941 HydrophobicContact CD1-CD2 4.46Å; Y806-F941 HydrophobicContact CD1-CE1 4.31Å; Y806-F941 AromaticContact CD1-CE2 3.39Å; Y806-F941 HydrophobicContact CD1-CE2 3.39Å; Y806-F941 AromaticContact CD1-CZ 3.3Å; Y806-F941 HydrophobicContact CD1-CZ 3.3Å; Y806-F941 HydrophobicContact CD2-CZ 4.14Å; Y806-F941 AromaticContact CE1-CE2 3.61Å; Y806-F941 HydrophobicContact CE1-CE2 3.61Å; Y806-F941 AromaticContact CE1-CZ 3.77Å; Y806-F941 HydrophobicContact CE1-CZ 3.77Å; Y806-F941 HydrophobicContact CG-CE1 4.27Å; Y806-F941 HydrophobicContact CG-CE2 4.12Å; Y806-F941 AromaticContact CG-CZ 3.52Å; Y806-F941 HydrophobicContact CG-CZ 3.52Å; L811-F941 HydrophobicContact CD1-CD1 4.18Å; L811-F941 HydrophobicContact CD2-CB 3.94Å; L811-F941 HydrophobicContact CD2-CG 4.25Å; F828-F941 HydrophobicContact CE2-CB 3.76Å; F828-F941 AromaticContact CE2-CD2 3.9Å; F828-F941 HydrophobicContact CE2-CD2 3.9Å; F828-F941 HydrophobicContact CE2-CG 4.34Å; F828-F941 HydrophobicContact CZ-CB 3.78Å; T846-F941 HydrophobicContact CG2-CD2 4.44Å; T846-F941 HydrophobicContact CG2-CE2 4.24Å; L851-F941 HydrophobicContact CD2-CE2 4.03Å; M866-F941 HydrophobicContact SD-CE1 4.05Å; M866-F941 HydrophobicContact SD-CZ 4.31Å; L870-F941 HydrophobicContact CD1-CD1 3.85Å; L870-F941 HydrophobicContact CD1-CE1 3.94Å; L870-F941 HydrophobicContact CD2-CD1 3.98Å; L870-F941 HydrophobicContact CD2-CE1 4.32Å; E937-F941 PolarHBondContact O-N 3.33Å; I938-F941 PolarHBondContact O-N 3.3Å; I939-F941 VanDerWaalsContact C-N 3.32Å; I939-F941 PolarHBondContact O-N 3.15Å; F941-D943 VanDerWaalsContact C-N 3.33Å; F941-D943 PolarHBondContact O-N 3.1Å; F941-L944 PolarHBondContact O-N 3.04Å; F941-L945 HydrophobicContact CE1-CD2 4.47Å; F941-L945 PolarHBondContact O-N 3.05Å |
| 942 | R | 96.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 14 Ų | 14 | 5% | 0.053 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -60.8 | -41.5 | 178.1 | 178.8 | 171.8 | 168.7 | -111.6 | 20.5 | 112.4 | L870 I938 I939 L944 L945 N946 D995 H997 | L870-R942 HydrophobicContact CD1-CB 4.15Å; I938-R942 PolarHBondContact O-N 3.37Å; I939-R942 WeakPolarHBondContact O-CB 3.42Å; I939-R942 PolarHBondContact O-N 3.35Å; I939-R942 VanDerWaalsContact O-N 3.1Å; R942-L944 VanDerWaalsContact C-N 3.35Å; R942-L944 PolarHBondContact O-N 2.97Å; R942-L945 WeakPolarHBondContact O-CB 3.37Å; R942-L945 PolarHBondContact O-N 3.33Å; R942-N946 WeakPolarHBondContact O-CB 2.89Å; R942-N946 PolarHBondContact O-N 2.66Å; R942-D995 IonicContact CZ-OD1 3.17Å; R942-D995 IonicContact CZ-OD2 3.3Å; R942-D995 VanDerWaalsContact NH1-CG 3.34Å; R942-D995 IonicContact NH1-OD1 3.39Å; R942-D995 IonicContact NH1-OD2 3.89Å; R942-D995 PolarHBondContact NH1-OD2 2.97Å; R942-D995 IonicContact NH2-OD1 2.81Å; R942-D995 PolarHBondContact NH2-OD1 3.18Å; R942-D995 IonicContact NH2-OD2 3.72Å; R942-D995 PolarHBondContact NH2-OD2 2.83Å; R942-D995 VanDerWaalsContact NH2-OD2 3.12Å; R942-H997 PolarHBondContact NH2-CD2 3.15Å |
| 943 | D | 95.5 | Very high | 97.2 | Very high | 47 Ų | 47 | 14.6 Ų | 14.6 | 25% | 0.251 | 7% | 0.073 | S | C | . | . | H | α-helix | trans | -62.1 | -44.5 | 179 | -66.4 | -17 | 0 | 0 | 0 | 111 | I939 F941 L945 N946 D947 K1056 | I939-D943 VanDerWaalsContact O-CG 3.23Å; I939-D943 PolarHBondContact O-N 3.43Å; F941-D943 VanDerWaalsContact C-N 3.33Å; F941-D943 PolarHBondContact O-N 3.1Å; D943-L945 VanDerWaalsContact C-N 3.29Å; D943-L945 PolarHBondContact O-N 3.04Å; D943-N946 PolarHBondContact O-N 3.26Å; D943-D947 WeakPolarHBondContact O-CB 3.32Å; D943-D947 PolarHBondContact O-N 2.68Å; D943-K1056 WeakPolarHBondContact OD2-CE 3.47Å; D943-K1056 IonicContact OD2-NZ 2.8Å; D943-K1056 PolarHBondContact OD2-NZ 2.73Å |
| 944 | L | 97 | Very high | 97.3 | Very high | 3 Ų | 3 | 16.4 Ų | 16.4 | 2% | 0.016 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -59.6 | -42 | 174.7 | -71.8 | -179.1 | 0 | 0 | 0 | 111.7 | Y821 R826 F828 L851 S940 F941 R942 A948 | Y821-L944 HydrophobicContact CD2-CD1 4.32Å; Y821-L944 HydrophobicContact CE2-CD1 3.74Å; Y821-L944 HydrophobicContact CE2-CD2 4.38Å; Y821-L944 HydrophobicContact CE2-CG 4.01Å; R826-L944 HydrophobicContact CB-CD2 3.9Å; F828-L944 HydrophobicContact CD2-CD1 4.44Å; F828-L944 HydrophobicContact CE2-CD1 4.19Å; L851-L944 HydrophobicContact CD1-CB 3.48Å; L851-L944 VanDerWaalsContact CD1-CB 3.48Å; L851-L944 HydrophobicContact CD1-CD1 4.08Å; L851-L944 HydrophobicContact CD1-CG 4.4Å; S940-L944 PolarHBondContact O-N 3.18Å; F941-L944 PolarHBondContact O-N 3.04Å; R942-L944 VanDerWaalsContact C-N 3.35Å; R942-L944 PolarHBondContact O-N 2.97Å; L944-A948 WeakPolarHBondContact O-CB 3.31Å; L944-A948 PolarHBondContact O-N 3.12Å |
| 945 | L | 97.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66 | -41.1 | 177.8 | -178.5 | 62.5 | 0 | 0 | 0 | 112.2 | L854 V863 M866 F941 R942 D943 A948 L949 | L854-L945 HydrophobicContact CD2-CD1 4.02Å; V863-L945 HydrophobicContact CG1-CD2 3.95Å; V863-L945 HydrophobicContact CG1-CG 3.89Å; V863-L945 HydrophobicContact CG2-CD1 4.36Å; M866-L945 HydrophobicContact CG-CD2 4.26Å; M866-L945 HydrophobicContact SD-CD2 3.45Å; M866-L945 WeakPolarHBondContact SD-CD2 3.3Å; F941-L945 HydrophobicContact CE1-CD2 4.47Å; F941-L945 PolarHBondContact O-N 3.05Å; R942-L945 WeakPolarHBondContact O-CB 3.37Å; R942-L945 PolarHBondContact O-N 3.33Å; D943-L945 VanDerWaalsContact C-N 3.29Å; D943-L945 PolarHBondContact O-N 3.04Å; L945-A948 PolarHBondContact O-N 3.02Å; L945-L949 WeakPolarHBondContact O-CB 3.08Å; L945-L949 PolarHBondContact O-N 3.48Å |
| 946 | N | 96.3 | Very high | 97 | Very high | 16 Ų | 16 | 29 Ų | 29 | 9% | 0.086 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69.1 | -40.1 | 177.4 | -79.3 | -15 | 0 | 0 | 0 | 112 | R942 D943 A948 L949 R950 G989 | R942-N946 WeakPolarHBondContact O-CB 2.89Å; R942-N946 PolarHBondContact O-N 2.66Å; D943-N946 PolarHBondContact O-N 3.26Å; N946-A948 VanDerWaalsContact C-N 3.3Å; N946-A948 PolarHBondContact O-N 2.97Å; N946-L949 WeakPolarHBondContact O-CB 3.5Å; N946-L949 PolarHBondContact O-N 3Å; N946-R950 WeakPolarHBondContact O-CB 3.22Å; N946-R950 PolarHBondContact O-N 3.23Å; N946-G989 WeakPolarHBondContact O-CA 3.43Å |
| 947 | D | 96.9 | Very high | 96.9 | Very high | 39 Ų | 39 | 32 Ų | 32 | 21% | 0.209 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59 | -44.3 | 171.8 | -87.9 | -21.4 | 0 | 0 | 0 | 111 | R826 Y848 D943 R950 D951 | R826-D947 IonicContact CZ-OD2 3.77Å; R826-D947 IonicContact NH2-OD2 3.53Å; R826-D947 PolarHBondContact NH2-OD2 3.39Å; Y848-D947 HydrophobicContact CE2-CB 3.91Å; Y848-D947 PolarHBondContact OH-O 3.1Å; D943-D947 WeakPolarHBondContact O-CB 3.32Å; D943-D947 PolarHBondContact O-N 2.68Å; D947-R950 WeakPolarHBondContact O-CB 3.22Å; D947-R950 PolarHBondContact O-N 2.72Å; D947-R950 IonicContact OD1-CZ 3.12Å; D947-R950 VanDerWaalsContact OD1-CZ 3.22Å; D947-R950 IonicContact OD1-NH1 2.79Å; D947-R950 PolarHBondContact OD1-NH1 2.72Å; D947-R950 IonicContact OD1-NH2 2.8Å; D947-R950 PolarHBondContact OD1-NH2 2.81Å; D947-D951 PolarHBondContact O-N 2.87Å; D947-D951 VanDerWaalsContact O-N 3.14Å |
| 948 | A | 97.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y848 L851 K852 A855 L944 L945 N946 D951 V952 | Y848-A948 HydrophobicContact CE2-CB 4.16Å; L851-A948 VanDerWaalsContact C-CB 3.5Å; L851-A948 HydrophobicContact CB-CB 3.81Å; K852-A948 HydrophobicContact CG-CB 3.94Å; A855-A948 HydrophobicContact CB-CB 4.49Å; L944-A948 WeakPolarHBondContact O-CB 3.31Å; L944-A948 PolarHBondContact O-N 3.12Å; L945-A948 PolarHBondContact O-N 3.02Å; N946-A948 VanDerWaalsContact C-N 3.3Å; N946-A948 PolarHBondContact O-N 2.97Å; A948-D951 PolarHBondContact O-N 3.39Å; A948-V952 WeakPolarHBondContact O-CG2 3.2Å; A948-V952 PolarHBondContact O-N 3.15Å; A948-V952 VanDerWaalsContact O-N 3.08Å |
| 949 | L | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -44.7 | 173.4 | 176.7 | 66.1 | 0 | 0 | 0 | 111.6 | A855 P860 V863 L945 N946 D951 V952 V953 | A855-L949 HydrophobicContact CB-CB 4.18Å; A855-L949 HydrophobicContact CB-CD1 4.4Å; P860-L949 HydrophobicContact CB-CD1 4.38Å; P860-L949 HydrophobicContact CG-CD1 4.1Å; V863-L949 HydrophobicContact CB-CD2 4.09Å; V863-L949 HydrophobicContact CG1-CB 4.4Å; V863-L949 HydrophobicContact CG1-CD2 3.77Å; V863-L949 HydrophobicContact CG2-CD1 4.27Å; L945-L949 WeakPolarHBondContact O-CB 3.08Å; L945-L949 PolarHBondContact O-N 3.48Å; N946-L949 WeakPolarHBondContact O-CB 3.5Å; N946-L949 PolarHBondContact O-N 3Å; L949-D951 VanDerWaalsContact C-N 3.31Å; L949-D951 PolarHBondContact O-N 2.89Å; L949-V952 PolarHBondContact O-N 2.91Å; L949-V953 HydrophobicContact CD1-CG2 3.77Å; L949-V953 HydrophobicContact CG-CG2 4.09Å; L949-V953 WeakPolarHBondContact O-CB 3.38Å; L949-V953 VanDerWaalsContact O-CG2 3.29Å; L949-V953 WeakPolarHBondContact O-CG2 3.41Å; L949-V953 PolarHBondContact O-N 3.11Å |
| 950 | R | 97.8 | Very high | 96.7 | Very high | 62 Ų | 62 | 47.4 Ų | 47.4 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.6 | -48.2 | 178.3 | -175.5 | -177.7 | 64.1 | -141.1 | -12.1 | 111.3 | N946 D947 V953 S954 F961 A988 L990 | N946-R950 WeakPolarHBondContact O-CB 3.22Å; N946-R950 PolarHBondContact O-N 3.23Å; D947-R950 WeakPolarHBondContact O-CB 3.22Å; D947-R950 PolarHBondContact O-N 2.72Å; D947-R950 IonicContact OD1-CZ 3.12Å; D947-R950 VanDerWaalsContact OD1-CZ 3.22Å; D947-R950 IonicContact OD1-NH1 2.79Å; D947-R950 PolarHBondContact OD1-NH1 2.72Å; D947-R950 IonicContact OD1-NH2 2.8Å; D947-R950 PolarHBondContact OD1-NH2 2.81Å; R950-V953 PolarHBondContact O-N 3.4Å; R950-S954 WeakPolarHBondContact O-CB 3.21Å; R950-S954 PolarHBondContact O-N 3.25Å; R950-F961 HydrophobicContact CG-CE2 3.67Å; R950-F961 HydrophobicContact CG-CZ 3.65Å; R950-A988 WeakPolarHBondContact CA-O 3.47Å; R950-L990 HydrophobicContact CG-CD2 4.29Å |
| 951 | D | 97.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 48.6 Ų | 48.6 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -44.9 | 179 | -71.1 | 4.5 | 0 | 0 | 0 | 110.7 | Y848 K852 D947 A948 L949 V953 S954 D955 | Y848-D951 WeakPolarHBondContact CE1-OD2 3.31Å; Y848-D951 VanDerWaalsContact OH-CG 3.23Å; Y848-D951 PolarHBondContact OH-OD2 3Å; K852-D951 HydrophobicContact CD-CB 4.35Å; K852-D951 WeakPolarHBondContact CE-OD2 3.17Å; K852-D951 IonicContact NZ-OD2 3.8Å; K852-D951 PolarHBondContact NZ-OD2 3.42Å; D947-D951 PolarHBondContact O-N 2.87Å; D947-D951 VanDerWaalsContact O-N 3.14Å; A948-D951 PolarHBondContact O-N 3.39Å; L949-D951 VanDerWaalsContact C-N 3.31Å; L949-D951 PolarHBondContact O-N 2.89Å; D951-V953 PolarHBondContact O-N 3.37Å; D951-S954 PolarHBondContact O-N 3.33Å; D951-D955 WeakPolarHBondContact O-CB 3.48Å; D951-D955 VanDerWaalsContact O-CG 3.23Å; D951-D955 PolarHBondContact O-N 3.41Å |
| 952 | V | 97.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 177.3 | 171.8 | 0 | 0 | 0 | 0 | 112 | K852 A855 Q856 A948 L949 D955 R956 | K852-V952 HydrophobicContact CB-CG2 4.29Å; K852-V952 WeakPolarHBondContact O-CG2 3.26Å; A855-V952 HydrophobicContact CB-CG2 4.26Å; Q856-V952 HydrophobicContact CB-CG1 4.07Å; Q856-V952 HydrophobicContact CB-CG2 4.31Å; A948-V952 WeakPolarHBondContact O-CG2 3.2Å; A948-V952 PolarHBondContact O-N 3.15Å; A948-V952 VanDerWaalsContact O-N 3.08Å; L949-V952 PolarHBondContact O-N 2.91Å; V952-D955 PolarHBondContact O-N 3.4Å; V952-R956 HydrophobicContact CG1-CG 4.2Å; V952-R956 VanDerWaalsContact O-CB 3.29Å; V952-R956 WeakPolarHBondContact O-CB 3.45Å; V952-R956 WeakPolarHBondContact O-CG 3.49Å; V952-R956 PolarHBondContact O-N 3.4Å |
| 953 | V | 96.8 | Very high | 96.6 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 9% | 0.085 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.3 | -41.9 | -179.6 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | P860 L949 R950 D951 D955 R956 V957 F961 | P860-V953 HydrophobicContact CG-CG2 4.05Å; L949-V953 HydrophobicContact CD1-CG2 3.77Å; L949-V953 HydrophobicContact CG-CG2 4.09Å; L949-V953 WeakPolarHBondContact O-CB 3.38Å; L949-V953 VanDerWaalsContact O-CG2 3.29Å; L949-V953 WeakPolarHBondContact O-CG2 3.41Å; L949-V953 PolarHBondContact O-N 3.11Å; R950-V953 PolarHBondContact O-N 3.4Å; D951-V953 PolarHBondContact O-N 3.37Å; V953-D955 VanDerWaalsContact C-N 3.3Å; V953-D955 PolarHBondContact O-N 2.83Å; V953-R956 PolarHBondContact O-N 2.98Å; V953-V957 HydrophobicContact CB-CG2 4.46Å; V953-V957 HydrophobicContact CG1-CG2 3.63Å; V953-V957 CarbonylContact O-C 3.07Å; V953-V957 WeakPolarHBondContact O-CG2 3.27Å; V953-V957 PolarHBondContact O-N 3.04Å; V953-F961 HydrophobicContact CB-CD2 4.46Å; V953-F961 HydrophobicContact CG1-CB 4.22Å; V953-F961 HydrophobicContact CG1-CD2 3.93Å; V953-F961 HydrophobicContact CG1-CG 4.5Å |
| 954 | S | 97.1 | Very high | 96.6 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 111.7 | R950 D951 P958 | R950-S954 WeakPolarHBondContact O-CB 3.21Å; R950-S954 PolarHBondContact O-N 3.25Å; D951-S954 PolarHBondContact O-N 3.33Å; S954-P958 WeakPolarHBondContact O-CA 3.42Å; S954-P958 WeakPolarHBondContact O-CB 3.28Å |
| 955 | D | 96.6 | Very high | 96.5 | Very high | 122 Ų | 122 | 55.7 Ų | 55.7 | 65% | 0.652 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -75.7 | -38.8 | -178.6 | -70.1 | -13.8 | 0 | 0 | 0 | 112.6 | D951 V952 V953 | D951-D955 WeakPolarHBondContact O-CB 3.48Å; D951-D955 VanDerWaalsContact O-CG 3.23Å; D951-D955 PolarHBondContact O-N 3.41Å; V952-D955 PolarHBondContact O-N 3.4Å; V953-D955 VanDerWaalsContact C-N 3.3Å; V953-D955 PolarHBondContact O-N 2.83Å |
| 956 | R | 94.5 | Very high | 96.4 | Very high | 171 Ų | 171 | 59.4 Ų | 59.4 | 65% | 0.645 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -90.1 | -31.5 | -171.6 | -60.2 | -70.6 | -97.7 | -174.6 | -3.8 | 113.7 | V952 V953 | V952-R956 HydrophobicContact CG1-CG 4.2Å; V952-R956 VanDerWaalsContact O-CB 3.29Å; V952-R956 WeakPolarHBondContact O-CB 3.45Å; V952-R956 WeakPolarHBondContact O-CG 3.49Å; V952-R956 PolarHBondContact O-N 3.4Å; V953-R956 PolarHBondContact O-N 2.98Å |
| 957 | V | 94.7 | Very high | 96.2 | Very high | 64 Ų | 64 | 62.8 Ų | 62.8 | 39% | 0.388 | 33% | 0.329 | S | S | . | . | trans | -136 | 58.9 | -179.4 | -69.1 | 0 | 0 | 0 | 0 | 111.7 | V953 F959 L960 F961 | V953-V957 HydrophobicContact CB-CG2 4.46Å; V953-V957 HydrophobicContact CG1-CG2 3.63Å; V953-V957 CarbonylContact O-C 3.07Å; V953-V957 WeakPolarHBondContact O-CG2 3.27Å; V953-V957 PolarHBondContact O-N 3.04Å; V957-F959 VanDerWaalsContact C-N 3.28Å; V957-F959 PolarHBondContact O-N 3.45Å; V957-F959 VanDerWaalsContact O-N 3.14Å; V957-L960 HydrophobicContact CB-CB 4.35Å; V957-L960 HydrophobicContact CB-CD1 4.3Å; V957-L960 HydrophobicContact CG2-CB 4.47Å; V957-L960 PolarHBondContact O-N 2.86Å; V957-L960 VanDerWaalsContact O-N 3.12Å; V957-F961 PolarHBondContact O-N 3.17Å | ||
| 958 | P | 96.7 | Very high | 96 | Very high | 78 Ų | 78 | 62.5 Ų | 62.5 | 51% | 0.506 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58.4 | -34.8 | -169.6 | 21.4 | -34.1 | 0 | 0 | 0 | 114 | S954 S962 | S954-P958 WeakPolarHBondContact O-CA 3.42Å; S954-P958 WeakPolarHBondContact O-CB 3.28Å; P958-S962 WeakPolarHBondContact O-CB 3.32Å; P958-S962 PolarHBondContact O-N 3.32Å; P958-S962 PolarHBondContact O-OG 2.77Å |
| 959 | F | 97.5 | Very high | 95.6 | Very high | 156 Ų | 156 | 67.9 Ų | 67.9 | 68% | 0.684 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.1 | -49.5 | 177.7 | 179.4 | -98.6 | 0 | 0 | 0 | 111.9 | V957 F961 S962 C963 | V957-F959 VanDerWaalsContact C-N 3.28Å; V957-F959 PolarHBondContact O-N 3.45Å; V957-F959 VanDerWaalsContact O-N 3.14Å; F959-F961 VanDerWaalsContact C-N 3.34Å; F959-F961 PolarHBondContact O-N 2.85Å; F959-S962 PolarHBondContact O-N 3.44Å; F959-S962 PolarHBondContact O-OG 2.71Å; F959-C963 PolarHBondContact O-N 3.16Å; F959-C963 VanDerWaalsContact O-N 3.09Å; F959-C963 PolarHBondContact O-SG 3.44Å |
| 960 | L | 95.2 | Very high | 95.2 | Very high | 108 Ų | 108 | 71.7 Ų | 71.7 | 57% | 0.565 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -63.7 | -43.2 | 177.8 | -68.8 | 176.1 | 0 | 0 | 0 | 110.8 | V957 S962 C963 V964 | V957-L960 HydrophobicContact CB-CB 4.35Å; V957-L960 HydrophobicContact CB-CD1 4.3Å; V957-L960 HydrophobicContact CG2-CB 4.47Å; V957-L960 PolarHBondContact O-N 2.86Å; V957-L960 VanDerWaalsContact O-N 3.12Å; L960-S962 PolarHBondContact O-N 2.74Å; L960-C963 PolarHBondContact O-N 3.23Å; L960-V964 WeakPolarHBondContact O-CG2 3.47Å; L960-V964 PolarHBondContact O-N 3.5Å; L960-V964 VanDerWaalsContact O-N 3.07Å |
| 961 | F | 96.3 | Very high | 94.6 | Very high | 26 Ų | 26 | 70.7 Ų | 70.7 | 11% | 0.114 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -58.4 | -49.8 | 176.9 | -177.8 | -103.7 | 0 | 0 | 0 | 112.1 | R950 V953 V957 F959 C963 V964 K965 A988 L990 | R950-F961 HydrophobicContact CG-CE2 3.67Å; R950-F961 HydrophobicContact CG-CZ 3.65Å; V953-F961 HydrophobicContact CB-CD2 4.46Å; V953-F961 HydrophobicContact CG1-CB 4.22Å; V953-F961 HydrophobicContact CG1-CD2 3.93Å; V953-F961 HydrophobicContact CG1-CG 4.5Å; V957-F961 PolarHBondContact O-N 3.17Å; F959-F961 VanDerWaalsContact C-N 3.34Å; F959-F961 PolarHBondContact O-N 2.85Å; F961-C963 VanDerWaalsContact C-N 3.3Å; F961-C963 PolarHBondContact O-N 2.89Å; F961-V964 PolarHBondContact O-N 3.32Å; F961-K965 WeakPolarHBondContact O-CB 3.3Å; F961-K965 PolarHBondContact O-N 2.78Å; F961-A988 HydrophobicContact CD2-CB 4.4Å; F961-L990 HydrophobicContact CE2-CD2 3.91Å; F961-L990 HydrophobicContact CE2-CG 4.26Å; F961-L990 HydrophobicContact CZ-CD2 3.88Å |
| 962 | S | 96.5 | Very high | 93.7 | Very high | 60 Ų | 60 | 72.2 Ų | 72.2 | 42% | 0.42 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 179.5 | 62.9 | 0 | 0 | 0 | 0 | 113 | P958 F959 L960 S966 | P958-S962 WeakPolarHBondContact O-CB 3.32Å; P958-S962 PolarHBondContact O-N 3.32Å; P958-S962 PolarHBondContact O-OG 2.77Å; F959-S962 PolarHBondContact O-N 3.44Å; F959-S962 PolarHBondContact O-OG 2.71Å; L960-S962 PolarHBondContact O-N 2.74Å; S962-S966 WeakPolarHBondContact O-CB 3.42Å; S962-S966 PolarHBondContact O-N 3.18Å |
| 963 | C | 96 | Very high | 92.4 | Very high | 60 Ų | 60 | 78.5 Ų | 78.5 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.8 | -48.4 | 173.3 | -66.8 | 0 | 0 | 0 | 0 | 111.5 | F959 L960 F961 K965 S966 F967 | F959-C963 PolarHBondContact O-N 3.16Å; F959-C963 VanDerWaalsContact O-N 3.09Å; F959-C963 PolarHBondContact O-SG 3.44Å; L960-C963 PolarHBondContact O-N 3.23Å; F961-C963 VanDerWaalsContact C-N 3.3Å; F961-C963 PolarHBondContact O-N 2.89Å; C963-K965 VanDerWaalsContact C-N 3.35Å; C963-S966 PolarHBondContact O-N 3.16Å; C963-F967 WeakPolarHBondContact O-CB 3.42Å; C963-F967 PolarHBondContact O-N 2.97Å |
| 964 | V | 94.7 | Very high | 91 | Very high | 27 Ų | 27 | 85.3 Ų | 85.3 | 16% | 0.164 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -64 | -41.8 | 178.2 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | L960 F961 F967 Q968 M984 F985 A988 L990 | L960-V964 WeakPolarHBondContact O-CG2 3.47Å; L960-V964 PolarHBondContact O-N 3.5Å; L960-V964 VanDerWaalsContact O-N 3.07Å; F961-V964 PolarHBondContact O-N 3.32Å; V964-F967 WeakPolarHBondContact O-CB 3.5Å; V964-F967 PolarHBondContact O-N 2.74Å; V964-Q968 PolarHBondContact O-N 2.8Å; V964-M984 HydrophobicContact CG1-CE 4.43Å; V964-M984 HydrophobicContact CG1-CG 4.25Å; V964-M984 HydrophobicContact CG2-CG 4.42Å; V964-M984 HydrophobicContact CG2-SD 4.41Å; V964-F985 HydrophobicContact CG1-CD1 3.82Å; V964-F985 HydrophobicContact CG1-CE1 4.33Å; V964-A988 HydrophobicContact CG1-CB 3.98Å; V964-L990 HydrophobicContact CG1-CD1 3.86Å |
| 965 | K | 95.2 | Very high | 89.6 | Confident | 66 Ų | 66 | 86 Ų | 86 | 29% | 0.287 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.6 | -45.3 | 178.1 | -177.4 | 51.7 | 177.2 | 156.7 | 0 | 112 | F961 C963 F967 Q968 D969 L990 | F961-K965 WeakPolarHBondContact O-CB 3.3Å; F961-K965 PolarHBondContact O-N 2.78Å; C963-K965 VanDerWaalsContact C-N 3.35Å; K965-F967 PolarHBondContact O-N 2.96Å; K965-Q968 WeakPolarHBondContact O-CB 3.39Å; K965-Q968 PolarHBondContact O-N 2.9Å; K965-Q968 VanDerWaalsContact O-N 3.12Å; K965-D969 VanDerWaalsContact CE-OD1 3.27Å; K965-D969 WeakPolarHBondContact CE-OD1 3.34Å; K965-D969 WeakPolarHBondContact CE-OD2 3.45Å; K965-D969 IonicContact NZ-OD1 3.98Å; K965-D969 PolarHBondContact NZ-OD1 3.3Å; K965-D969 IonicContact NZ-OD2 2.67Å; K965-D969 VanDerWaalsContact O-CG 3.31Å; K965-D969 PolarHBondContact O-N 3.26Å; K965-L990 HydrophobicContact CB-CD1 4.43Å; K965-L990 HydrophobicContact CD-CD1 4.21Å; K965-L990 HydrophobicContact CD-CD2 3.92Å |
| 966 | S | 94.8 | Very high | 87.9 | Confident | 77 Ų | 77 | 85.8 Ų | 85.8 | 54% | 0.538 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.7 | -35.4 | 174.4 | -176.2 | 0 | 0 | 0 | 0 | 111.9 | S962 C963 S970 | S962-S966 WeakPolarHBondContact O-CB 3.42Å; S962-S966 PolarHBondContact O-N 3.18Å; C963-S966 PolarHBondContact O-N 3.16Å; S966-S970 WeakPolarHBondContact O-CB 3.24Å; S966-S970 PolarHBondContact O-N 3.39Å; S966-S970 PolarHBondContact O-OG 3.21Å |
| 967 | F | 93.1 | Very high | 86.5 | Confident | 87 Ų | 87 | 82.2 Ų | 82.2 | 38% | 0.382 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 174.2 | -173.3 | -118.7 | 0 | 0 | 0 | 111.4 | C963 V964 K965 D969 S970 F971 V981 M984 F985 | C963-F967 WeakPolarHBondContact O-CB 3.42Å; C963-F967 PolarHBondContact O-N 2.97Å; V964-F967 WeakPolarHBondContact O-CB 3.5Å; V964-F967 PolarHBondContact O-N 2.74Å; K965-F967 PolarHBondContact O-N 2.96Å; F967-D969 PolarHBondContact O-N 3.14Å; F967-S970 CarbonylContact O-C 3.55Å; F967-S970 PolarHBondContact O-N 3Å; F967-S970 PolarHBondContact O-OG 2.78Å; F967-F971 HydrophobicContact CD1-CD2 4.45Å; F967-F971 AromaticContact CE1-CD2 3.77Å; F967-F971 HydrophobicContact CE1-CD2 3.77Å; F967-F971 HydrophobicContact CE1-CE2 4.08Å; F967-F971 HydrophobicContact CE2-CD2 4.1Å; F967-F971 AromaticContact CZ-CD2 3.57Å; F967-F971 HydrophobicContact CZ-CD2 3.57Å; F967-F971 AromaticContact CZ-CE2 3.78Å; F967-F971 HydrophobicContact CZ-CE2 3.78Å; F967-F971 WeakPolarHBondContact O-CB 3.47Å; F967-F971 PolarHBondContact O-N 3.29Å; F967-V981 HydrophobicContact CD1-CG1 4.18Å; F967-V981 HydrophobicContact CE1-CG1 3.59Å; F967-V981 HydrophobicContact CE1-CG2 4.33Å; F967-M984 HydrophobicContact CD1-CE 3.29Å; F967-M984 HydrophobicContact CE1-CE 3.66Å; F967-M984 HydrophobicContact CG-CE 4.35Å; F967-F985 AromaticContact CD1-CE1 3.81Å; F967-F985 HydrophobicContact CD1-CE1 3.81Å; F967-F985 AromaticContact CD1-CZ 3.95Å; F967-F985 HydrophobicContact CD1-CZ 3.95Å; F967-F985 HydrophobicContact CE1-CZ 4.42Å |
| 968 | Q | 91.5 | Very high | 85.8 | Confident | 34 Ų | 34 | 80.9 Ų | 80.9 | 16% | 0.159 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.3 | -46.9 | 174.1 | -172.4 | -179.1 | 51.1 | 0 | 0 | 112.3 | V964 K965 S970 F971 F985 L990 P991 | V964-Q968 PolarHBondContact O-N 2.8Å; K965-Q968 WeakPolarHBondContact O-CB 3.39Å; K965-Q968 PolarHBondContact O-N 2.9Å; K965-Q968 VanDerWaalsContact O-N 3.12Å; Q968-S970 PolarHBondContact O-N 2.85Å; Q968-F971 PolarHBondContact O-N 3.11Å; Q968-F985 HydrophobicContact CB-CD1 3.97Å; Q968-F985 HydrophobicContact CB-CE1 3.53Å; Q968-F985 HydrophobicContact CB-CE2 4.12Å; Q968-F985 HydrophobicContact CB-CG 4.46Å; Q968-F985 HydrophobicContact CB-CZ 3.64Å; Q968-F985 HydrophobicContact CG-CD1 4.36Å; Q968-F985 HydrophobicContact CG-CD2 4.11Å; Q968-F985 HydrophobicContact CG-CE1 4.16Å; Q968-F985 HydrophobicContact CG-CE2 3.87Å; Q968-F985 HydrophobicContact CG-CG 4.35Å; Q968-F985 HydrophobicContact CG-CZ 3.93Å; Q968-L990 HydrophobicContact CB-CD1 4.45Å; Q968-P991 PolarHBondContact NE2-O 3.43Å |
| 969 | D | 90.7 | Very high | 85.1 | Confident | 113 Ų | 113 | 78.3 Ų | 78.3 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -70.8 | -19 | -176.2 | -63.6 | -21.7 | 0 | 0 | 0 | 113.1 | K965 F967 | K965-D969 VanDerWaalsContact CE-OD1 3.27Å; K965-D969 WeakPolarHBondContact CE-OD1 3.34Å; K965-D969 WeakPolarHBondContact CE-OD2 3.45Å; K965-D969 IonicContact NZ-OD1 3.98Å; K965-D969 PolarHBondContact NZ-OD1 3.3Å; K965-D969 IonicContact NZ-OD2 2.67Å; K965-D969 VanDerWaalsContact O-CG 3.31Å; K965-D969 PolarHBondContact O-N 3.26Å; F967-D969 PolarHBondContact O-N 3.14Å |
| 970 | S | 89.6 | Confident | 84.5 | Confident | 81 Ų | 81 | 78.5 Ų | 78.5 | 57% | 0.566 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -106.7 | -1.1 | 177.7 | 58.3 | 0 | 0 | 0 | 0 | 113.7 | S966 F967 Q968 | S966-S970 WeakPolarHBondContact O-CB 3.24Å; S966-S970 PolarHBondContact O-N 3.39Å; S966-S970 PolarHBondContact O-OG 3.21Å; F967-S970 CarbonylContact O-C 3.55Å; F967-S970 PolarHBondContact O-N 3Å; F967-S970 PolarHBondContact O-OG 2.78Å; Q968-S970 PolarHBondContact O-N 2.85Å |
| 971 | F | 84.6 | Confident | 84.1 | Confident | 41 Ų | 41 | 74.7 Ų | 74.7 | 18% | 0.18 | 42% | 0.42 | C | S | . | . | trans | -70.8 | 126.3 | -176.5 | -164.2 | -98.9 | 0 | 0 | 0 | 110.1 | F967 Q968 V975 T978 V981 F985 | F967-F971 HydrophobicContact CD1-CD2 4.45Å; F967-F971 AromaticContact CE1-CD2 3.77Å; F967-F971 HydrophobicContact CE1-CD2 3.77Å; F967-F971 HydrophobicContact CE1-CE2 4.08Å; F967-F971 HydrophobicContact CE2-CD2 4.1Å; F967-F971 AromaticContact CZ-CD2 3.57Å; F967-F971 HydrophobicContact CZ-CD2 3.57Å; F967-F971 AromaticContact CZ-CE2 3.78Å; F967-F971 HydrophobicContact CZ-CE2 3.78Å; F967-F971 WeakPolarHBondContact O-CB 3.47Å; F967-F971 PolarHBondContact O-N 3.29Å; Q968-F971 PolarHBondContact O-N 3.11Å; F971-V975 HydrophobicContact CE1-CB 3.94Å; F971-V975 HydrophobicContact CE1-CG1 4.49Å; F971-V975 HydrophobicContact CE1-CG2 4.18Å; F971-V975 HydrophobicContact CZ-CB 3.91Å; F971-V975 HydrophobicContact CZ-CG1 4Å; F971-V975 HydrophobicContact CZ-CG2 4.06Å; F971-T978 HydrophobicContact CE1-CG2 4.06Å; F971-V981 HydrophobicContact CD2-CG1 4Å; F971-V981 HydrophobicContact CE2-CB 4.17Å; F971-V981 HydrophobicContact CE2-CG1 3.84Å; F971-V981 HydrophobicContact CE2-CG2 3.74Å; F971-V981 HydrophobicContact CG-CG1 4.47Å; F971-V981 HydrophobicContact CZ-CB 4.15Å; F971-V981 HydrophobicContact CZ-CG1 4.17Å; F971-V981 HydrophobicContact CZ-CG2 3.86Å; F971-F985 HydrophobicContact CB-CZ 4.43Å | ||
| 972 | P | 79.2 | Confident | 83.8 | Confident | 72 Ų | 72 | 74.2 Ų | 74.2 | 47% | 0.468 | 42% | 0.418 | S | S | . | . | trans | -71.2 | 134.8 | -179 | -11.7 | 25.4 | 0 | 0 | 0 | 111.8 | D974 V975 | P972-D974 PolarHBondContact O-N 3.24Å; P972-V975 HydrophobicContact CB-CG2 4.09Å; P972-V975 HydrophobicContact CG-CG2 4.16Å | ||
| 973 | D | 69.4 | Low | 83.4 | Confident | 150 Ų | 150 | 74.6 Ų | 74.6 | 80% | 0.802 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -21.8 | 177.2 | -68.8 | -37.3 | 0 | 0 | 0 | 113.2 | V975 | D973-V975 VanDerWaalsContact C-N 3.33Å; D973-V975 PolarHBondContact O-N 2.96Å |
| 974 | D | 68 | Low | 83.2 | Confident | 157 Ų | 157 | 75.5 Ų | 75.5 | 84% | 0.84 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | 2.8 | -174 | -62.2 | -35.2 | 0 | 0 | 0 | 114.6 | P972 P976 | P972-D974 PolarHBondContact O-N 3.24Å; D974-P976 WeakPolarHBondContact O-CD 3.45Å |
| 975 | V | 67.5 | Low | 83.1 | Confident | 55 Ų | 55 | 74.5 Ų | 74.5 | 33% | 0.333 | 41% | 0.406 | S | S | . | . | trans | -81.4 | 121.1 | -176.2 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | F971 P972 D973 D977 T978 | F971-V975 HydrophobicContact CE1-CB 3.94Å; F971-V975 HydrophobicContact CE1-CG1 4.49Å; F971-V975 HydrophobicContact CE1-CG2 4.18Å; F971-V975 HydrophobicContact CZ-CB 3.91Å; F971-V975 HydrophobicContact CZ-CG1 4Å; F971-V975 HydrophobicContact CZ-CG2 4.06Å; P972-V975 HydrophobicContact CB-CG2 4.09Å; P972-V975 HydrophobicContact CG-CG2 4.16Å; D973-V975 VanDerWaalsContact C-N 3.33Å; D973-V975 PolarHBondContact O-N 2.96Å; V975-D977 VanDerWaalsContact C-N 3.34Å; V975-D977 PolarHBondContact O-N 3.49Å; V975-T978 WeakPolarHBondContact O-CG2 3.3Å | ||
| 976 | P | 60.6 | Low | 82.9 | Confident | 118 Ų | 118 | 71.8 Ų | 71.8 | 77% | 0.766 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -18.8 | -171.2 | 23.1 | -31.7 | 0 | 0 | 0 | 115.9 | D974 | D974-P976 WeakPolarHBondContact O-CD 3.45Š|
| 977 | D | 65.3 | Low | 82.8 | Confident | 96 Ų | 96 | 70.1 Ų | 70.1 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 57.2 | -179.2 | -74.2 | -42.8 | 0 | 0 | 0 | 112 | V975 L979 R1070 | V975-D977 VanDerWaalsContact C-N 3.34Å; V975-D977 PolarHBondContact O-N 3.49Å; D977-L979 PolarHBondContact O-N 3.34Å; D977-R1070 IonicContact OD1-NH2 2.81Å |
| 978 | T | 79.1 | Confident | 82.8 | Confident | 36 Ų | 36 | 66.3 Ų | 66.3 | 22% | 0.221 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -66.3 | -17 | 179 | 58.7 | 0 | 0 | 0 | 0 | 114.4 | F971 V975 E980 V981 N982 | F971-T978 HydrophobicContact CE1-CG2 4.06Å; V975-T978 WeakPolarHBondContact O-CG2 3.3Å; T978-E980 PolarHBondContact O-N 2.91Å; T978-V981 PolarHBondContact O-N 2.83Å; T978-N982 WeakPolarHBondContact O-CB 3.23Å; T978-N982 PolarHBondContact O-N 3.36Å; T978-N982 PolarHBondContact O-OD1 3.27Å |
| 979 | L | 83.2 | Confident | 82.9 | Confident | 25 Ų | 25 | 64.8 Ų | 64.8 | 13% | 0.131 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66.2 | -40.9 | -171.1 | -68.7 | 172.3 | 0 | 0 | 0 | 113.8 | D977 V981 N982 E983 V994 A996 V999 | D977-L979 PolarHBondContact O-N 3.34Å; L979-V981 VanDerWaalsContact C-N 3.32Å; L979-N982 PolarHBondContact O-N 2.66Å; L979-E983 PolarHBondContact O-N 3.1Å; L979-E983 VanDerWaalsContact O-N 3.11Å; L979-V994 HydrophobicContact CD2-CG1 4.06Å; L979-A996 HydrophobicContact CD2-CB 4.41Å; L979-V999 HydrophobicContact CD1-CG1 3.9Å; L979-V999 HydrophobicContact CD2-CB 4.21Å; L979-V999 HydrophobicContact CD2-CG1 4.21Å; L979-V999 HydrophobicContact CD2-CG2 4.14Å |
| 980 | E | 83.7 | Confident | 83.1 | Confident | 160 Ų | 160 | 59.6 Ų | 59.6 | 75% | 0.748 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.1 | -39.3 | 179.2 | -64.6 | -175.8 | 171.4 | 0 | 0 | 111 | T978 E983 M984 | T978-E980 PolarHBondContact O-N 2.91Å; E980-E983 WeakPolarHBondContact O-CB 3.37Å; E980-E983 PolarHBondContact O-N 3Å; E980-M984 PolarHBondContact O-N 2.97Å |
| 981 | V | 87.9 | Confident | 83.1 | Confident | 28 Ų | 28 | 60 Ų | 60 | 17% | 0.17 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71 | -37.1 | 177.7 | 177.7 | 0 | 0 | 0 | 0 | 111 | F967 F971 T978 L979 E983 M984 F985 | F967-V981 HydrophobicContact CD1-CG1 4.18Å; F967-V981 HydrophobicContact CE1-CG1 3.59Å; F967-V981 HydrophobicContact CE1-CG2 4.33Å; F971-V981 HydrophobicContact CD2-CG1 4Å; F971-V981 HydrophobicContact CE2-CB 4.17Å; F971-V981 HydrophobicContact CE2-CG1 3.84Å; F971-V981 HydrophobicContact CE2-CG2 3.74Å; F971-V981 HydrophobicContact CG-CG1 4.47Å; F971-V981 HydrophobicContact CZ-CB 4.15Å; F971-V981 HydrophobicContact CZ-CG1 4.17Å; F971-V981 HydrophobicContact CZ-CG2 3.86Å; T978-V981 PolarHBondContact O-N 2.83Å; L979-V981 VanDerWaalsContact C-N 3.32Å; V981-E983 PolarHBondContact O-N 2.88Å; V981-M984 HydrophobicContact CG1-CE 4.43Å; V981-M984 WeakPolarHBondContact O-CB 3.36Å; V981-M984 PolarHBondContact O-N 3.16Å; V981-M984 VanDerWaalsContact O-N 3.11Å; V981-F985 HydrophobicContact CG1-CD2 4.13Å; V981-F985 HydrophobicContact CG1-CE1 3.9Å; V981-F985 HydrophobicContact CG1-CE2 3.41Å; V981-F985 VanDerWaalsContact CG1-CE2 3.41Å; V981-F985 HydrophobicContact CG1-CZ 3.24Å; V981-F985 WeakPolarHBondContact O-CG 3.34Å; V981-F985 PolarHBondContact O-N 2.88Å |
| 982 | N | 89 | Confident | 83.3 | Confident | 15 Ų | 15 | 59.9 Ų | 59.9 | 8% | 0.08 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.5 | -29.1 | 173.7 | -71.4 | -8.1 | 0 | 0 | 0 | 112.6 | T978 L979 F985 S986 C992 V994 A996 | T978-N982 WeakPolarHBondContact O-CB 3.23Å; T978-N982 PolarHBondContact O-N 3.36Å; T978-N982 PolarHBondContact O-OD1 3.27Å; L979-N982 PolarHBondContact O-N 2.66Å; N982-F985 PolarHBondContact O-N 3.13Å; N982-S986 VanDerWaalsContact O-CB 3.28Å; N982-S986 WeakPolarHBondContact O-CB 3.4Å; N982-S986 PolarHBondContact O-N 2.65Å; N982-S986 PolarHBondContact O-OG 2.83Å; N982-C992 HydrophobicContact CB-CB 4.24Å; N982-V994 PolarHBondContact ND2-O 3.37Å; N982-A996 HydrophobicContact CB-CB 4.22Å |
| 983 | E | 89 | Confident | 83.5 | Confident | 69 Ų | 69 | 61.5 Ų | 61.5 | 32% | 0.322 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 172.7 | -168.8 | 178.2 | 169.2 | 0 | 0 | 111.1 | K864 L979 E980 V981 S986 A987 | K864-E983 IonicContact NZ-OE1 3.33Å; K864-E983 PolarHBondContact NZ-OE1 2.77Å; L979-E983 PolarHBondContact O-N 3.1Å; L979-E983 VanDerWaalsContact O-N 3.11Å; E980-E983 WeakPolarHBondContact O-CB 3.37Å; E980-E983 PolarHBondContact O-N 3Å; V981-E983 PolarHBondContact O-N 2.88Å; E983-S986 PolarHBondContact O-N 3.23Å; E983-A987 WeakPolarHBondContact O-CB 3.44Å; E983-A987 PolarHBondContact O-N 3.27Å |
| 984 | M | 90.7 | Very high | 84.4 | Confident | 79 Ų | 79 | 55 Ų | 55 | 39% | 0.389 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 174.2 | -178.3 | 179.5 | 66 | 0 | 0 | 111.9 | V964 F967 E980 V981 A987 A988 | V964-M984 HydrophobicContact CG1-CE 4.43Å; V964-M984 HydrophobicContact CG1-CG 4.25Å; V964-M984 HydrophobicContact CG2-CG 4.42Å; V964-M984 HydrophobicContact CG2-SD 4.41Å; F967-M984 HydrophobicContact CD1-CE 3.29Å; F967-M984 HydrophobicContact CE1-CE 3.66Å; F967-M984 HydrophobicContact CG-CE 4.35Å; E980-M984 PolarHBondContact O-N 2.97Å; V981-M984 HydrophobicContact CG1-CE 4.43Å; V981-M984 WeakPolarHBondContact O-CB 3.36Å; V981-M984 PolarHBondContact O-N 3.16Å; V981-M984 VanDerWaalsContact O-N 3.11Å; M984-A987 PolarHBondContact O-N 3.43Å; M984-A988 PolarHBondContact O-N 3.22Å |
| 985 | F | 92.9 | Very high | 85.4 | Confident | 6 Ų | 6 | 48.4 Ų | 48.4 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 175.8 | -62.4 | -25.9 | 0 | 0 | 0 | 111.7 | V964 F967 Q968 F971 V981 N982 A987 A988 G989 L990 C992 | V964-F985 HydrophobicContact CG1-CD1 3.82Å; V964-F985 HydrophobicContact CG1-CE1 4.33Å; F967-F985 AromaticContact CD1-CE1 3.81Å; F967-F985 HydrophobicContact CD1-CE1 3.81Å; F967-F985 AromaticContact CD1-CZ 3.95Å; F967-F985 HydrophobicContact CD1-CZ 3.95Å; F967-F985 HydrophobicContact CE1-CZ 4.42Å; Q968-F985 HydrophobicContact CB-CD1 3.97Å; Q968-F985 HydrophobicContact CB-CE1 3.53Å; Q968-F985 HydrophobicContact CB-CE2 4.12Å; Q968-F985 HydrophobicContact CB-CG 4.46Å; Q968-F985 HydrophobicContact CB-CZ 3.64Å; Q968-F985 HydrophobicContact CG-CD1 4.36Å; Q968-F985 HydrophobicContact CG-CD2 4.11Å; Q968-F985 HydrophobicContact CG-CE1 4.16Å; Q968-F985 HydrophobicContact CG-CE2 3.87Å; Q968-F985 HydrophobicContact CG-CG 4.35Å; Q968-F985 HydrophobicContact CG-CZ 3.93Å; F971-F985 HydrophobicContact CB-CZ 4.43Å; V981-F985 HydrophobicContact CG1-CD2 4.13Å; V981-F985 HydrophobicContact CG1-CE1 3.9Å; V981-F985 HydrophobicContact CG1-CE2 3.41Å; V981-F985 VanDerWaalsContact CG1-CE2 3.41Å; V981-F985 HydrophobicContact CG1-CZ 3.24Å; V981-F985 WeakPolarHBondContact O-CG 3.34Å; V981-F985 PolarHBondContact O-N 2.88Å; N982-F985 PolarHBondContact O-N 3.13Å; F985-A987 VanDerWaalsContact C-N 3.32Å; F985-A987 PolarHBondContact O-N 3.47Å; F985-A988 CarbonylContact O-C 3.54Å; F985-A988 WeakPolarHBondContact O-CA 3.49Å; F985-A988 PolarHBondContact O-N 2.73Å; F985-G989 PolarHBondContact O-N 3.25Å; F985-L990 HydrophobicContact CB-CB 4.1Å; F985-L990 HydrophobicContact CD1-CD1 4.39Å; F985-L990 WeakPolarHBondContact O-CB 3.45Å; F985-L990 PolarHBondContact O-N 2.99Å; F985-C992 VanDerWaalsContact CB-SG 3.55Å |
| 986 | S | 91.6 | Very high | 86.5 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 6% | 0.063 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -38.6 | 177.4 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | N982 E983 A988 G989 | N982-S986 VanDerWaalsContact O-CB 3.28Å; N982-S986 WeakPolarHBondContact O-CB 3.4Å; N982-S986 PolarHBondContact O-N 2.65Å; N982-S986 PolarHBondContact O-OG 2.83Å; E983-S986 PolarHBondContact O-N 3.23Å; S986-A988 PolarHBondContact O-N 3.49Å; S986-G989 PolarHBondContact O-N 3.49Å |
| 987 | A | 91.5 | Very high | 88 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 35% | 0.347 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.5 | -23.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E983 M984 F985 | E983-A987 WeakPolarHBondContact O-CB 3.44Å; E983-A987 PolarHBondContact O-N 3.27Å; M984-A987 PolarHBondContact O-N 3.43Å; F985-A987 VanDerWaalsContact C-N 3.32Å; F985-A987 PolarHBondContact O-N 3.47Å |
| 988 | A | 93.8 | Very high | 89.4 | Confident | 7 Ų | 7 | 36.2 Ų | 36.2 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 5.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | R950 F961 V964 M984 F985 S986 L990 | R950-A988 WeakPolarHBondContact CA-O 3.47Å; F961-A988 HydrophobicContact CD2-CB 4.4Å; V964-A988 HydrophobicContact CG1-CB 3.98Å; M984-A988 PolarHBondContact O-N 3.22Å; F985-A988 CarbonylContact O-C 3.54Å; F985-A988 WeakPolarHBondContact O-CA 3.49Å; F985-A988 PolarHBondContact O-N 2.73Å; S986-A988 PolarHBondContact O-N 3.49Å; A988-L990 HydrophobicContact CB-CD1 4.33Å; A988-L990 HydrophobicContact CB-CG 4.26Å; A988-L990 PolarHBondContact O-N 3.49Å |
| 989 | G | 94.5 | Very high | 90 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 13.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | N946 F985 S986 | N946-G989 WeakPolarHBondContact O-CA 3.43Å; F985-G989 PolarHBondContact O-N 3.25Å; S986-G989 PolarHBondContact O-N 3.49Å |
| 990 | L | 93.9 | Very high | 90.4 | Very high | 5 Ų | 5 | 36.7 Ų | 36.7 | 3% | 0.026 | 20% | 0.202 | C | C | . | . | trans | -80 | 137.9 | 179.3 | -65 | 172.4 | 0 | 0 | 0 | 110.9 | R950 F961 V964 K965 Q968 F985 A988 | R950-L990 HydrophobicContact CG-CD2 4.29Å; F961-L990 HydrophobicContact CE2-CD2 3.91Å; F961-L990 HydrophobicContact CE2-CG 4.26Å; F961-L990 HydrophobicContact CZ-CD2 3.88Å; V964-L990 HydrophobicContact CG1-CD1 3.86Å; K965-L990 HydrophobicContact CB-CD1 4.43Å; K965-L990 HydrophobicContact CD-CD1 4.21Å; K965-L990 HydrophobicContact CD-CD2 3.92Å; Q968-L990 HydrophobicContact CB-CD1 4.45Å; F985-L990 HydrophobicContact CB-CB 4.1Å; F985-L990 HydrophobicContact CD1-CD1 4.39Å; F985-L990 WeakPolarHBondContact O-CB 3.45Å; F985-L990 PolarHBondContact O-N 2.99Å; A988-L990 HydrophobicContact CB-CD1 4.33Å; A988-L990 HydrophobicContact CB-CG 4.26Å; A988-L990 PolarHBondContact O-N 3.49Å | ||
| 991 | P | 90.1 | Very high | 90.9 | Very high | 90 Ų | 90 | 29.6 Ų | 29.6 | 58% | 0.584 | 17% | 0.171 | S | C | * | . | trans | -67.1 | 142.6 | 178.4 | 28.7 | -34.4 | 0 | 0 | 0 | 110.6 | Q968 | Q968-P991 PolarHBondContact NE2-O 3.43Š| ||
| 992 | C | 88.6 | Confident | 91.1 | Very high | 37 Ų | 37 | 28.3 Ų | 28.3 | 25% | 0.25 | 16% | 0.163 | C | C | . | . | trans | -124.3 | 142.2 | 177.6 | -61.6 | 0 | 0 | 0 | 0 | 109.8 | N982 F985 V994 | N982-C992 HydrophobicContact CB-CB 4.24Å; F985-C992 VanDerWaalsContact CB-SG 3.55Å; C992-V994 VanDerWaalsContact C-N 3.29Å; C992-V994 PolarHBondContact O-N 2.6Å | ||
| 993 | I | 84.2 | Confident | 91.2 | Very high | 107 Ų | 107 | 32.1 Ų | 32.1 | 55% | 0.549 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -62.7 | -39.7 | 176.1 | -62.5 | 173.1 | 0 | 0 | 0 | 110.7 | P1120 F1121 | I993-P1120 HydrophobicContact CG2-CB 4.34Å; I993-P1120 HydrophobicContact CG2-CG 4.04Å; I993-F1121 HydrophobicContact CG2-CE1 3.59Å; I993-F1121 HydrophobicContact CG2-CZ 3.72Å |
| 994 | V | 87 | Confident | 91.2 | Very high | 14 Ų | 14 | 32.9 Ų | 32.9 | 9% | 0.085 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -118.8 | 122.3 | 175.9 | -175.9 | 0 | 0 | 0 | 0 | 109.5 | L979 N982 C992 A996 V999 T1067 | L979-V994 HydrophobicContact CD2-CG1 4.06Å; N982-V994 PolarHBondContact ND2-O 3.37Å; C992-V994 VanDerWaalsContact C-N 3.29Å; C992-V994 PolarHBondContact O-N 2.6Å; V994-A996 PolarHBondContact O-N 3.08Å; V994-V999 HydrophobicContact CG1-CG2 3.78Å; V994-T1067 HydrophobicContact CG1-CG2 4.02Å; V994-T1067 WeakPolarHBondContact CG2-OG1 3.39Å |
| 995 | D | 89.5 | Confident | 91.1 | Very high | 17 Ų | 17 | 31.6 Ų | 31.6 | 9% | 0.091 | 19% | 0.188 | C | C | . | . | trans | -77.9 | 109.1 | 179.4 | -176.8 | -6.3 | 0 | 0 | 0 | 112.1 | R942 H997 L998 V999 | R942-D995 IonicContact CZ-OD1 3.17Å; R942-D995 IonicContact CZ-OD2 3.3Å; R942-D995 VanDerWaalsContact NH1-CG 3.34Å; R942-D995 IonicContact NH1-OD1 3.39Å; R942-D995 IonicContact NH1-OD2 3.89Å; R942-D995 PolarHBondContact NH1-OD2 2.97Å; R942-D995 IonicContact NH2-OD1 2.81Å; R942-D995 PolarHBondContact NH2-OD1 3.18Å; R942-D995 IonicContact NH2-OD2 3.72Å; R942-D995 PolarHBondContact NH2-OD2 2.83Å; R942-D995 VanDerWaalsContact NH2-OD2 3.12Å; D995-H997 VanDerWaalsContact C-N 3.33Å; D995-H997 PolarHBondContact O-N 3.41Å; D995-H997 IonicContact OD1-CD2 3.48Å; D995-H997 PolarHBondContact OD1-N 3.03Å; D995-L998 HydrophobicContact CB-CB 3.89Å; D995-L998 PolarHBondContact O-N 3.49Å; D995-L998 PolarHBondContact OD1-N 3.49Å; D995-V999 WeakPolarHBondContact O-CG2 3.22Å; D995-V999 PolarHBondContact O-N 3.33Å | ||
| 996 | A | 90.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.017 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.8 | -38.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L979 N982 V994 L998 V999 N1000 | L979-A996 HydrophobicContact CD2-CB 4.41Å; N982-A996 HydrophobicContact CB-CB 4.22Å; V994-A996 PolarHBondContact O-N 3.08Å; A996-L998 PolarHBondContact O-N 3.32Å; A996-V999 PolarHBondContact O-N 3.43Å; A996-N1000 VanDerWaalsContact O-CB 3.31Å; A996-N1000 WeakPolarHBondContact O-CB 3.29Å; A996-N1000 PolarHBondContact O-N 2.77Å; A996-N1000 PolarHBondContact O-ND2 3.2Å |
| 997 | H | 92.6 | Very high | 88.9 | Confident | 12 Ų | 12 | 43 Ų | 43 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.4 | -38.6 | -180 | -63.6 | -70.9 | 0 | 0 | 0 | 111.3 | E868 M871 R942 D995 A1001 | E868-H997 WeakPolarHBondContact CG-ND1 3.26Å; E868-H997 IonicContact OE1-CE1 3.68Å; E868-H997 IonicContact OE1-ND1 3.04Å; M871-H997 HydrophobicContact CB-CB 4.16Å; M871-H997 HydrophobicContact CG-CB 3.78Å; R942-H997 PolarHBondContact NH2-CD2 3.15Å; D995-H997 VanDerWaalsContact C-N 3.33Å; D995-H997 PolarHBondContact O-N 3.41Å; D995-H997 IonicContact OD1-CD2 3.48Å; D995-H997 PolarHBondContact OD1-N 3.03Å; H997-A1001 VanDerWaalsContact O-CB 3.28Å; H997-A1001 WeakPolarHBondContact O-CB 3.15Å; H997-A1001 PolarHBondContact O-N 3.24Å |
| 998 | L | 94.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.4 | -46.5 | 175.9 | -178.3 | 54.2 | 0 | 0 | 0 | 112 | M871 V874 I878 D995 A996 N1000 A1001 I1002 A1064 | M871-L998 HydrophobicContact CG-CB 4.24Å; M871-L998 HydrophobicContact SD-CB 3.82Å; M871-L998 HydrophobicContact SD-CD1 4.26Å; M871-L998 HydrophobicContact SD-CG 4.42Å; V874-L998 HydrophobicContact CB-CD1 3.97Å; V874-L998 HydrophobicContact CG1-CD1 3.53Å; V874-L998 HydrophobicContact CG1-CD2 4.22Å; I878-L998 HydrophobicContact CD1-CD1 4.09Å; D995-L998 HydrophobicContact CB-CB 3.89Å; D995-L998 PolarHBondContact O-N 3.49Å; D995-L998 PolarHBondContact OD1-N 3.49Å; A996-L998 PolarHBondContact O-N 3.32Å; L998-N1000 VanDerWaalsContact C-N 3.3Å; L998-N1000 PolarHBondContact O-N 3.13Å; L998-A1001 PolarHBondContact O-N 3.27Å; L998-I1002 HydrophobicContact CD1-CD1 3.93Å; L998-I1002 HydrophobicContact CD1-CG1 4.08Å; L998-I1002 HydrophobicContact CG-CD1 3.93Å; L998-I1002 VanDerWaalsContact O-CG1 3.3Å; L998-I1002 WeakPolarHBondContact O-CG1 3.43Å; L998-I1002 PolarHBondContact O-N 3.49Å; L998-A1064 HydrophobicContact CB-CB 4.43Å; L998-A1064 HydrophobicContact CD2-CB 3.69Å; L998-A1064 HydrophobicContact CG-CB 3.76Å |
| 999 | V | 91.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.4 | -46.4 | 176.4 | 168.2 | 0 | 0 | 0 | 0 | 110.6 | L979 V994 D995 A996 I1002 R1003 A1064 I1068 | L979-V999 HydrophobicContact CD1-CG1 3.9Å; L979-V999 HydrophobicContact CD2-CB 4.21Å; L979-V999 HydrophobicContact CD2-CG1 4.21Å; L979-V999 HydrophobicContact CD2-CG2 4.14Å; V994-V999 HydrophobicContact CG1-CG2 3.78Å; D995-V999 WeakPolarHBondContact O-CG2 3.22Å; D995-V999 PolarHBondContact O-N 3.33Å; A996-V999 PolarHBondContact O-N 3.43Å; V999-I1002 PolarHBondContact O-N 3.32Å; V999-R1003 WeakPolarHBondContact O-CB 3.34Å; V999-R1003 WeakPolarHBondContact O-CG 3.48Å; V999-R1003 PolarHBondContact O-N 2.78Å; V999-A1064 HydrophobicContact CG2-CB 3.94Å; V999-I1068 HydrophobicContact CG1-CD1 4.35Å; V999-I1068 HydrophobicContact CG1-CG1 3.83Å |
| 1000 | N | 91.6 | Very high | 84.5 | Confident | 71 Ų | 71 | 58.3 Ų | 58.3 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -65.3 | -40.6 | 178.5 | -70.9 | -18.4 | 0 | 0 | 0 | 112.1 | A996 L998 R1003 A1004 | A996-N1000 VanDerWaalsContact O-CB 3.31Å; A996-N1000 WeakPolarHBondContact O-CB 3.29Å; A996-N1000 PolarHBondContact O-N 2.77Å; A996-N1000 PolarHBondContact O-ND2 3.2Å; L998-N1000 VanDerWaalsContact C-N 3.3Å; L998-N1000 PolarHBondContact O-N 3.13Å; N1000-R1003 PolarHBondContact O-N 3.4Å; N1000-A1004 VanDerWaalsContact O-CB 3.32Å; N1000-A1004 WeakPolarHBondContact O-CB 3.49Å; N1000-A1004 PolarHBondContact O-N 2.98Å |
| 1001 | A | 93.7 | Very high | 84.1 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 8% | 0.083 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M871 A875 H997 L998 A1004 Q1005 | M871-A1001 HydrophobicContact CB-CB 4.34Å; A875-A1001 HydrophobicContact CB-CB 3.79Å; H997-A1001 VanDerWaalsContact O-CB 3.28Å; H997-A1001 WeakPolarHBondContact O-CB 3.15Å; H997-A1001 PolarHBondContact O-N 3.24Å; L998-A1001 PolarHBondContact O-N 3.27Å; A1001-A1004 PolarHBondContact O-N 3.26Å; A1001-Q1005 WeakPolarHBondContact O-CG 3.31Å; A1001-Q1005 PolarHBondContact O-N 2.93Å; A1001-Q1005 VanDerWaalsContact O-N 3.1Å |
| 1002 | I | 92.7 | Very high | 83.9 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.3 | -44.2 | 176 | -65.9 | 166.7 | 0 | 0 | 0 | 110.4 | A875 I878 L998 V999 Q1005 K1006 A1064 L1065 I1068 | A875-I1002 HydrophobicContact CB-CG1 3.82Å; I878-I1002 HydrophobicContact CD1-CD1 3.76Å; I878-I1002 HydrophobicContact CD1-CG1 4.33Å; L998-I1002 HydrophobicContact CD1-CD1 3.93Å; L998-I1002 HydrophobicContact CD1-CG1 4.08Å; L998-I1002 HydrophobicContact CG-CD1 3.93Å; L998-I1002 VanDerWaalsContact O-CG1 3.3Å; L998-I1002 WeakPolarHBondContact O-CG1 3.43Å; L998-I1002 PolarHBondContact O-N 3.49Å; V999-I1002 PolarHBondContact O-N 3.32Å; I1002-Q1005 PolarHBondContact O-N 2.91Å; I1002-K1006 HydrophobicContact CG2-CD 4.37Å; I1002-K1006 PolarHBondContact O-N 3.4Å; I1002-A1064 HydrophobicContact CD1-CB 3.86Å; I1002-L1065 HydrophobicContact CD1-CD2 4.21Å; I1002-L1065 HydrophobicContact CG2-CD2 4.49Å; I1002-I1068 HydrophobicContact CB-CD1 3.81Å; I1002-I1068 HydrophobicContact CD1-CD1 4.23Å; I1002-I1068 HydrophobicContact CG2-CD1 3.53Å |
| 1003 | R | 90.3 | Very high | 83.8 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 36% | 0.358 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.4 | -75.4 | 176.3 | 177.6 | 168.7 | 0.5 | 111.4 | V999 N1000 Q1005 K1006 I1068 | V999-R1003 WeakPolarHBondContact O-CB 3.34Å; V999-R1003 WeakPolarHBondContact O-CG 3.48Å; V999-R1003 PolarHBondContact O-N 2.78Å; N1000-R1003 PolarHBondContact O-N 3.4Å; R1003-Q1005 VanDerWaalsContact C-N 3.32Å; R1003-Q1005 PolarHBondContact O-N 3.42Å; R1003-K1006 PolarHBondContact O-N 2.69Å; R1003-K1006 VanDerWaalsContact O-N 3.1Å; R1003-I1068 HydrophobicContact CG-CD1 4.43Å; R1003-I1068 HydrophobicContact CG-CG1 4.43Å |
| 1004 | A | 90.2 | Very high | 84.1 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 70% | 0.702 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.9 | -31.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.6 | N1000 A1001 K1006 | N1000-A1004 VanDerWaalsContact O-CB 3.32Å; N1000-A1004 WeakPolarHBondContact O-CB 3.49Å; N1000-A1004 PolarHBondContact O-N 2.98Å; A1001-A1004 PolarHBondContact O-N 3.26Å; A1004-K1006 VanDerWaalsContact C-N 3.3Å |
| 1005 | Q | 88.8 | Confident | 84.3 | Confident | 52 Ų | 52 | 63.1 Ų | 63.1 | 24% | 0.243 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -80.8 | -9.1 | 175.8 | -68.2 | -178.6 | 15.7 | 0 | 0 | 113.3 | W872 A875 S876 N879 A1001 I1002 R1003 | W872-Q1005 VanDerWaalsContact CD2-NE2 3.33Å; W872-Q1005 VanDerWaalsContact CE2-NE2 3.28Å; W872-Q1005 PolarHBondContact O-NE2 2.9Å; A875-Q1005 VanDerWaalsContact C-OE1 3.29Å; S876-Q1005 VanDerWaalsContact N-OE1 3.16Å; N879-Q1005 PolarHBondContact ND2-OE1 2.89Å; A1001-Q1005 WeakPolarHBondContact O-CG 3.31Å; A1001-Q1005 PolarHBondContact O-N 2.93Å; A1001-Q1005 VanDerWaalsContact O-N 3.1Å; I1002-Q1005 PolarHBondContact O-N 2.91Å; R1003-Q1005 VanDerWaalsContact C-N 3.32Å; R1003-Q1005 PolarHBondContact O-N 3.42Å |
| 1006 | K | 77.2 | Confident | 84.4 | Confident | 59 Ų | 59 | 63.4 Ų | 63.4 | 26% | 0.257 | 33% | 0.332 | S | S | . | . | trans | -106.1 | 129.5 | 176.2 | -78.7 | -176.1 | 158.7 | -127.4 | 0 | 110.8 | I1002 R1003 A1004 D1014 | I1002-K1006 HydrophobicContact CG2-CD 4.37Å; I1002-K1006 PolarHBondContact O-N 3.4Å; R1003-K1006 PolarHBondContact O-N 2.69Å; R1003-K1006 VanDerWaalsContact O-N 3.1Å; A1004-K1006 VanDerWaalsContact C-N 3.3Å; K1006-D1014 IonicContact NZ-OD1 2.75Å; K1006-D1014 PolarHBondContact NZ-OD1 3.27Å; K1006-D1014 IonicContact NZ-OD2 3.58Å; K1006-D1014 PolarHBondContact NZ-OD2 2.89Å | ||
| 1007 | Q | 60.6 | Low | 84.6 | Confident | 195 Ų | 195 | 63.5 Ų | 63.5 | 91% | 0.911 | 33% | 0.332 | S | S | * | . | trans | -82.7 | -17.8 | 173.2 | -72.9 | 178.8 | -24.1 | 0 | 0 | 113 | ||||
| 1008 | D | 55.8 | Low | 84.6 | Confident | 138 Ų | 138 | 63 Ų | 63 | 74% | 0.738 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -113.5 | 146.5 | -169.2 | -65.2 | -38.2 | 0 | 0 | 0 | 114 | ||
| 1009 | E | 62.4 | Low | 84.7 | Confident | 178 Ų | 178 | 63.1 Ų | 63.1 | 83% | 0.832 | 33% | 0.33 | S | S | * | . | trans | -57.9 | 160.2 | 178 | -67.6 | -179 | 162.9 | 0 | 0 | 113.4 | T1011 | E1009-T1011 VanDerWaalsContact C-N 3.33Å; E1009-T1011 PolarHBondContact O-N 3.02Å | ||
| 1010 | A | 69.8 | Low | 84.9 | Confident | 56 Ų | 56 | 63.1 Ų | 63.1 | 46% | 0.463 | 33% | 0.331 | S | S | . | . | trans | -62.9 | 86.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | I1068 | A1010-I1068 HydrophobicContact CB-CG2 4.48Š| ||
| 1011 | T | 84.7 | Confident | 85.1 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | trans | -80.9 | 152 | 176.8 | 60 | 0 | 0 | 0 | 0 | 112 | E1009 E1013 D1014 Y1015 | E1009-T1011 VanDerWaalsContact C-N 3.33Å; E1009-T1011 PolarHBondContact O-N 3.02Å; T1011-E1013 PolarHBondContact O-N 3.28Å; T1011-D1014 PolarHBondContact O-N 2.86Å; T1011-D1014 VanDerWaalsContact O-N 3.1Å; T1011-D1014 WeakPolarHBondContact OG1-CB 2.87Å; T1011-D1014 PolarHBondContact OG1-N 3.01Å; T1011-D1014 VanDerWaalsContact OG1-N 3.16Å; T1011-Y1015 PolarHBondContact O-N 3.26Å | ||
| 1012 | E | 85.5 | Confident | 85.2 | Confident | 132 Ų | 132 | 59.5 Ų | 59.5 | 62% | 0.617 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -55.4 | -32 | 169 | -76.2 | -66.6 | 154.1 | 0 | 0 | 112.4 | S1016 H1071 | E1012-S1016 WeakPolarHBondContact O-CB 3.45Å; E1012-S1016 PolarHBondContact O-N 2.89Å; E1012-H1071 IonicContact OE1-CE1 2.79Å; E1012-H1071 IonicContact OE1-NE2 2.69Å |
| 1013 | E | 87.6 | Confident | 85.3 | Confident | 106 Ų | 106 | 59.6 Ų | 59.6 | 50% | 0.495 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.8 | -45.5 | 175.2 | 179.3 | 158.7 | -139.5 | 0 | 0 | 111.9 | R889 T1011 S1016 V1017 | R889-E1013 IonicContact CZ-OE1 2.71Å; R889-E1013 VanDerWaalsContact CZ-OE1 3.22Å; R889-E1013 IonicContact NH1-OE1 3.07Å; R889-E1013 PolarHBondContact NH1-OE1 3.03Å; R889-E1013 IonicContact NH2-OE1 3.34Å; R889-E1013 PolarHBondContact NH2-OE1 3.01Å; T1011-E1013 PolarHBondContact O-N 3.28Å; E1013-S1016 WeakPolarHBondContact O-CB 3.37Å; E1013-S1016 PolarHBondContact O-N 3.3Å; E1013-V1017 WeakPolarHBondContact O-CG2 3.47Å; E1013-V1017 PolarHBondContact O-N 3.46Å |
| 1014 | D | 89.1 | Confident | 85.7 | Confident | 20 Ų | 20 | 55 Ų | 55 | 11% | 0.107 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68 | -35.2 | 176.3 | -174.2 | 61.9 | 0 | 0 | 0 | 112.1 | K882 K1006 T1011 S1016 V1017 C1018 H1069 | K882-D1014 VanDerWaalsContact NZ-CG 3.29Å; K882-D1014 IonicContact NZ-OD1 2.7Å; K882-D1014 PolarHBondContact NZ-OD1 3.5Å; K882-D1014 IonicContact NZ-OD2 3.61Å; K882-D1014 PolarHBondContact NZ-OD2 3.19Å; K1006-D1014 IonicContact NZ-OD1 2.75Å; K1006-D1014 PolarHBondContact NZ-OD1 3.27Å; K1006-D1014 IonicContact NZ-OD2 3.58Å; K1006-D1014 PolarHBondContact NZ-OD2 2.89Å; T1011-D1014 PolarHBondContact O-N 2.86Å; T1011-D1014 VanDerWaalsContact O-N 3.1Å; T1011-D1014 WeakPolarHBondContact OG1-CB 2.87Å; T1011-D1014 PolarHBondContact OG1-N 3.01Å; T1011-D1014 VanDerWaalsContact OG1-N 3.16Å; D1014-S1016 VanDerWaalsContact C-N 3.33Å; D1014-S1016 PolarHBondContact O-N 2.85Å; D1014-V1017 WeakPolarHBondContact O-CA 3.34Å; D1014-V1017 WeakPolarHBondContact O-CB 3.48Å; D1014-V1017 PolarHBondContact O-N 2.99Å; D1014-V1017 VanDerWaalsContact O-N 3.1Å; D1014-C1018 PolarHBondContact O-N 3.21Å; D1014-C1018 PolarHBondContact O-SG 3.01Å; D1014-H1069 IonicContact OD2-CE1 3.86Å; D1014-H1069 PolarHBondContact OD2-CE1 2.66Å; D1014-H1069 VanDerWaalsContact OD2-CE1 3.29Å; D1014-H1069 IonicContact OD2-NE2 3.51Å; D1014-H1069 PolarHBondContact OD2-NE2 3.12Å |
| 1015 | Y | 92.2 | Very high | 86 | Confident | 24 Ų | 24 | 51 Ų | 51 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 171.1 | 172.4 | -102.6 | 0 | 0 | 0 | 111.2 | T1011 V1017 C1018 C1019 F1066 H1069 H1071 D1073 R1077 | T1011-Y1015 PolarHBondContact O-N 3.26Å; Y1015-V1017 VanDerWaalsContact C-N 3.27Å; Y1015-V1017 PolarHBondContact O-N 2.78Å; Y1015-C1018 PolarHBondContact O-N 3.42Å; Y1015-C1018 VanDerWaalsContact O-N 3.16Å; Y1015-C1019 VanDerWaalsContact CZ-SG 3.55Å; Y1015-C1019 PolarHBondContact O-N 3.2Å; Y1015-C1019 PolarHBondContact O-SG 2.76Å; Y1015-C1019 VanDerWaalsContact O-SG 3.36Å; Y1015-F1066 HydrophobicContact CD2-CD1 4.34Å; Y1015-F1066 AromaticContact CE2-CD1 3.88Å; Y1015-F1066 HydrophobicContact CE2-CD1 3.88Å; Y1015-F1066 HydrophobicContact CE2-CE1 4.05Å; Y1015-H1069 HydrophobicContact CD2-CB 3.84Å; Y1015-H1069 AromaticContact CD2-CG 3.91Å; Y1015-H1069 PolarHBondContact N-CE1 2.74Å; Y1015-H1069 VanDerWaalsContact N-CE1 3.3Å; Y1015-H1071 AromaticContact CD1-NE2 3.91Å; Y1015-H1071 AromaticContact CD2-CD2 3.37Å; Y1015-H1071 WeakPolarHBondContact CD2-CD2 3.43Å; Y1015-H1071 AromaticContact CD2-NE2 3.67Å; Y1015-H1071 HydrophobicContact CE2-CB 4.34Å; Y1015-H1071 AromaticContact CE2-CD2 3.33Å; Y1015-H1071 WeakPolarHBondContact CE2-CD2 3.28Å; Y1015-H1071 AromaticContact CE2-CG 3.96Å; Y1015-H1071 AromaticContact CE2-NE2 3.91Å; Y1015-H1071 AromaticContact CG-CD2 3.89Å; Y1015-H1071 AromaticContact CG-NE2 3.66Å; Y1015-H1071 AromaticContact CZ-CD2 3.85Å; Y1015-D1073 PolarHBondContact OH-OD2 3.41Å; Y1015-R1077 PolarHBondContact OH-NE 3.14Å |
| 1016 | S | 92 | Very high | 86.3 | Confident | 23 Ų | 23 | 48.5 Ų | 48.5 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.8 | -36.8 | 172.4 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | R893 E1012 E1013 D1014 L1020 | R893-S1016 PolarHBondContact NH2-OG 3.08Å; E1012-S1016 WeakPolarHBondContact O-CB 3.45Å; E1012-S1016 PolarHBondContact O-N 2.89Å; E1013-S1016 WeakPolarHBondContact O-CB 3.37Å; E1013-S1016 PolarHBondContact O-N 3.3Å; D1014-S1016 VanDerWaalsContact C-N 3.33Å; D1014-S1016 PolarHBondContact O-N 2.85Å; S1016-L1020 WeakPolarHBondContact O-CB 3.41Å; S1016-L1020 WeakPolarHBondContact O-CG 3.46Å; S1016-L1020 PolarHBondContact O-N 3.31Å; S1016-L1020 VanDerWaalsContact O-N 3.08Å |
| 1017 | V | 93.1 | Very high | 87 | Confident | 4 Ų | 4 | 45.9 Ų | 45.9 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67 | -42.2 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | K882 V885 L886 E1013 D1014 Y1015 C1019 L1020 L1021 | K882-V1017 HydrophobicContact CB-CG1 4.05Å; K882-V1017 HydrophobicContact CD-CG1 4.39Å; K882-V1017 HydrophobicContact CG-CG1 3.97Å; V885-V1017 HydrophobicContact CB-CG1 4.15Å; V885-V1017 HydrophobicContact CG1-CG1 3.89Å; L886-V1017 HydrophobicContact CD2-CG2 3.63Å; L886-V1017 HydrophobicContact CG-CG2 4.28Å; E1013-V1017 WeakPolarHBondContact O-CG2 3.47Å; E1013-V1017 PolarHBondContact O-N 3.46Å; D1014-V1017 WeakPolarHBondContact O-CA 3.34Å; D1014-V1017 WeakPolarHBondContact O-CB 3.48Å; D1014-V1017 PolarHBondContact O-N 2.99Å; D1014-V1017 VanDerWaalsContact O-N 3.1Å; Y1015-V1017 VanDerWaalsContact C-N 3.27Å; Y1015-V1017 PolarHBondContact O-N 2.78Å; V1017-C1019 PolarHBondContact O-N 3.43Å; V1017-L1020 PolarHBondContact O-N 3.32Å; V1017-L1021 PolarHBondContact O-N 3.35Å |
| 1018 | C | 93.5 | Very high | 88.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -42.2 | 176.5 | -61.4 | 0 | 0 | 0 | 0 | 112.2 | K882 D1014 Y1015 L1020 L1021 M1022 L1065 F1066 H1069 | K882-C1018 WeakPolarHBondContact CE-SG 3.47Å; K882-C1018 PolarHBondContact NZ-SG 2.8Å; D1014-C1018 PolarHBondContact O-N 3.21Å; D1014-C1018 PolarHBondContact O-SG 3.01Å; Y1015-C1018 PolarHBondContact O-N 3.42Å; Y1015-C1018 VanDerWaalsContact O-N 3.16Å; C1018-L1020 PolarHBondContact O-N 2.62Å; C1018-L1021 WeakPolarHBondContact O-CB 3.39Å; C1018-L1021 PolarHBondContact O-N 3.04Å; C1018-M1022 PolarHBondContact O-N 3.21Å; C1018-L1065 HydrophobicContact CB-CB 4.27Å; C1018-L1065 HydrophobicContact CB-CD1 4.14Å; C1018-F1066 HydrophobicContact CB-CE1 4.25Å; C1018-H1069 PolarHBondContact SG-NE2 3.1Å; C1018-H1069 VanDerWaalsContact SG-NE2 3.38Å |
| 1019 | C | 95.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.02 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 173 | -68 | 0 | 0 | 0 | 0 | 111.7 | Y1015 V1017 L1021 M1022 V1023 | Y1015-C1019 VanDerWaalsContact CZ-SG 3.55Å; Y1015-C1019 PolarHBondContact O-N 3.2Å; Y1015-C1019 PolarHBondContact O-SG 2.76Å; Y1015-C1019 VanDerWaalsContact O-SG 3.36Å; V1017-C1019 PolarHBondContact O-N 3.43Å; C1019-L1021 VanDerWaalsContact C-N 3.28Å; C1019-L1021 PolarHBondContact O-N 3.27Å; C1019-M1022 PolarHBondContact O-N 3.14Å; C1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; C1019-V1023 PolarHBondContact O-N 3.24Å |
| 1020 | L | 96.3 | Very high | 91.6 | Very high | 1 Ų | 1 | 22.4 Ų | 22.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -26.3 | 179.7 | -69.1 | 172.4 | 0 | 0 | 0 | 112.7 | V885 R889 L892 R893 S1016 V1017 C1018 V1023 F1024 | V885-L1020 HydrophobicContact CG1-CB 3.57Å; V885-L1020 HydrophobicContact CG1-CD1 4.46Å; R889-L1020 HydrophobicContact CG-CD1 3.93Å; L892-L1020 HydrophobicContact CB-CB 4.44Å; L892-L1020 HydrophobicContact CB-CD2 3.96Å; R893-L1020 HydrophobicContact CB-CD2 4.46Å; R893-L1020 HydrophobicContact CG-CD1 3.76Å; R893-L1020 HydrophobicContact CG-CD2 3.81Å; R893-L1020 HydrophobicContact CG-CG 4.4Å; S1016-L1020 WeakPolarHBondContact O-CB 3.41Å; S1016-L1020 WeakPolarHBondContact O-CG 3.46Å; S1016-L1020 PolarHBondContact O-N 3.31Å; S1016-L1020 VanDerWaalsContact O-N 3.08Å; V1017-L1020 PolarHBondContact O-N 3.32Å; C1018-L1020 PolarHBondContact O-N 2.62Å; L1020-V1023 WeakPolarHBondContact O-CB 3.46Å; L1020-V1023 PolarHBondContact O-N 2.86Å; L1020-F1024 WeakPolarHBondContact O-CB 3.34Å; L1020-F1024 PolarHBondContact O-N 3.18Å |
| 1021 | L | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.3 | -47.3 | 171 | 179.6 | 55.5 | 0 | 0 | 0 | 110.9 | L881 V885 L928 V1017 C1018 C1019 V1023 F1024 I1025 I1061 L1065 | L881-L1021 HydrophobicContact CB-CD1 3.81Å; L881-L1021 HydrophobicContact CB-CD2 4.22Å; L881-L1021 HydrophobicContact CD1-CD1 4.43Å; V885-L1021 HydrophobicContact CG2-CB 3.82Å; V885-L1021 HydrophobicContact CG2-CD1 3.75Å; V885-L1021 HydrophobicContact CG2-CG 4.38Å; L928-L1021 HydrophobicContact CD1-CD1 4.04Å; V1017-L1021 PolarHBondContact O-N 3.35Å; C1018-L1021 WeakPolarHBondContact O-CB 3.39Å; C1018-L1021 PolarHBondContact O-N 3.04Å; C1019-L1021 VanDerWaalsContact C-N 3.28Å; C1019-L1021 PolarHBondContact O-N 3.27Å; L1021-V1023 VanDerWaalsContact C-N 3.3Å; L1021-V1023 PolarHBondContact O-N 3.4Å; L1021-F1024 WeakPolarHBondContact O-CB 3.45Å; L1021-F1024 PolarHBondContact O-N 2.88Å; L1021-F1024 VanDerWaalsContact O-N 3.09Å; L1021-I1025 HydrophobicContact CD1-CD1 4.15Å; L1021-I1025 HydrophobicContact CD1-CG1 4.22Å; L1021-I1025 HydrophobicContact CG-CD1 4.12Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.25Å; L1021-I1025 PolarHBondContact O-N 2.83Å; L1021-I1061 HydrophobicContact CD2-CG2 4.03Å; L1021-L1065 HydrophobicContact CD2-CD1 3.9Å |
| 1022 | M | 96.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 3% | 0.025 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61 | -41.6 | 176.4 | -59.8 | -53 | -63.7 | 0 | 0 | 111.4 | C1018 C1019 F1024 I1025 A1026 I1058 I1061 A1062 F1066 M1078 F1081 | C1018-M1022 PolarHBondContact O-N 3.21Å; C1019-M1022 PolarHBondContact O-N 3.14Å; M1022-F1024 VanDerWaalsContact C-N 3.33Å; M1022-F1024 PolarHBondContact O-N 3.39Å; M1022-I1025 PolarHBondContact O-N 2.8Å; M1022-A1026 WeakPolarHBondContact O-CB 3.36Å; M1022-A1026 PolarHBondContact O-N 3.36Å; M1022-I1058 HydrophobicContact CE-CG2 3.64Å; M1022-I1061 HydrophobicContact SD-CG2 4.47Å; M1022-A1062 HydrophobicContact CE-CB 4.09Å; M1022-A1062 HydrophobicContact SD-CB 4.3Å; M1022-F1066 HydrophobicContact CG-CE2 3.81Å; M1022-F1066 HydrophobicContact CG-CZ 3.8Å; M1022-F1066 HydrophobicContact SD-CE2 4.44Å; M1022-M1078 HydrophobicContact CE-SD 3.55Å; M1022-M1078 VanDerWaalsContact CE-SD 3.55Å; M1022-F1081 HydrophobicContact CB-CB 4.48Å; M1022-F1081 HydrophobicContact CB-CD2 4.36Å; M1022-F1081 HydrophobicContact CE-CB 4.26Å; M1022-F1081 HydrophobicContact CE-CD2 3.81Å; M1022-F1081 HydrophobicContact CE-CE2 4.44Å; M1022-F1081 HydrophobicContact CE-CG 3.99Å; M1022-F1081 WeakPolarHBondContact O-CD2 3.34Å |
| 1023 | V | 95.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 13.2 Ų | 13.2 | 2% | 0.018 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.6 | -46.4 | 172.8 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | R896 C1019 L1020 L1021 I1025 A1026 V1027 L1084 | R896-V1023 HydrophobicContact CB-CG1 4.16Å; R896-V1023 HydrophobicContact CB-CG2 4.02Å; R896-V1023 HydrophobicContact CG-CG2 3.81Å; C1019-V1023 WeakPolarHBondContact O-CG2 3.48Å; C1019-V1023 PolarHBondContact O-N 3.24Å; L1020-V1023 WeakPolarHBondContact O-CB 3.46Å; L1020-V1023 PolarHBondContact O-N 2.86Å; L1021-V1023 VanDerWaalsContact C-N 3.3Å; L1021-V1023 PolarHBondContact O-N 3.4Å; V1023-I1025 PolarHBondContact O-N 2.97Å; V1023-A1026 PolarHBondContact O-N 3.27Å; V1023-V1027 HydrophobicContact CG1-CG1 4.41Å; V1023-V1027 WeakPolarHBondContact O-CG1 3.44Å; V1023-V1027 WeakPolarHBondContact O-CG2 3.4Å; V1023-V1027 PolarHBondContact O-N 3.15Å; V1023-L1084 HydrophobicContact CB-CD1 4.36Å; V1023-L1084 HydrophobicContact CG1-CD1 4.25Å; V1023-L1084 HydrophobicContact CG2-CD1 3.85Å |
| 1024 | F | 96.9 | Very high | 92 | Very high | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63 | -43 | -177.9 | -160.2 | 177.5 | 0 | 0 | 0 | 111.3 | L884 V885 N888 L892 L912 A924 V925 L928 L1020 L1021 M1022 V1027 S1028 | L884-F1024 HydrophobicContact CB-CE1 4.11Å; V885-F1024 HydrophobicContact CG2-CD1 4Å; N888-F1024 HydrophobicContact CB-CE1 4.44Å; L892-F1024 HydrophobicContact CD1-CB 3.89Å; L892-F1024 HydrophobicContact CD1-CD1 3.65Å; L892-F1024 HydrophobicContact CD1-CE1 4.31Å; L892-F1024 HydrophobicContact CD1-CG 3.83Å; L892-F1024 HydrophobicContact CD2-CB 3.63Å; L892-F1024 HydrophobicContact CD2-CD1 4.22Å; L892-F1024 HydrophobicContact CD2-CD2 3.69Å; L892-F1024 HydrophobicContact CD2-CE2 4.43Å; L892-F1024 HydrophobicContact CD2-CG 3.59Å; L892-F1024 HydrophobicContact CG-CB 4.42Å; L892-F1024 HydrophobicContact CG-CG 4.34Å; L912-F1024 HydrophobicContact CD1-CD2 4.19Å; L912-F1024 HydrophobicContact CD1-CE2 3.86Å; L912-F1024 HydrophobicContact CD2-CE2 4.12Å; L912-F1024 HydrophobicContact CD2-CZ 4.26Å; L912-F1024 HydrophobicContact CG-CE2 4.4Å; A924-F1024 HydrophobicContact CB-CZ 4.01Å; V925-F1024 HydrophobicContact CG2-CE2 4.31Å; L928-F1024 HydrophobicContact CB-CZ 4.49Å; L928-F1024 HydrophobicContact CD1-CD1 3.64Å; L928-F1024 HydrophobicContact CD1-CE1 3.94Å; L928-F1024 HydrophobicContact CD1-CG 4.03Å; L928-F1024 HydrophobicContact CD2-CB 4.1Å; L928-F1024 HydrophobicContact CD2-CD1 4.1Å; L928-F1024 HydrophobicContact CD2-CD2 3.66Å; L928-F1024 HydrophobicContact CD2-CE1 4.48Å; L928-F1024 HydrophobicContact CD2-CE2 4.04Å; L928-F1024 HydrophobicContact CD2-CG 3.66Å; L928-F1024 HydrophobicContact CD2-CZ 4.45Å; L928-F1024 HydrophobicContact CG-CD1 4.43Å; L928-F1024 HydrophobicContact CG-CG 4.46Å; L1020-F1024 WeakPolarHBondContact O-CB 3.34Å; L1020-F1024 PolarHBondContact O-N 3.18Å; L1021-F1024 WeakPolarHBondContact O-CB 3.45Å; L1021-F1024 PolarHBondContact O-N 2.88Å; L1021-F1024 VanDerWaalsContact O-N 3.09Å; M1022-F1024 VanDerWaalsContact C-N 3.33Å; M1022-F1024 PolarHBondContact O-N 3.39Å; F1024-V1027 HydrophobicContact CD2-CG2 4.4Å; F1024-V1027 WeakPolarHBondContact O-CG2 3.4Å; F1024-S1028 WeakPolarHBondContact CD2-OG 3.49Å; F1024-S1028 WeakPolarHBondContact O-CB 3.01Å; F1024-S1028 PolarHBondContact O-N 3.24Å; F1024-S1028 VanDerWaalsContact O-N 3.14Å; F1024-S1028 PolarHBondContact O-OG 2.96Å |
| 1025 | I | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.1 | -48.9 | 175.6 | -61.8 | 170.3 | 0 | 0 | 0 | 109.9 | L928 V932 L1021 M1022 V1023 V1027 S1028 L1029 I1058 F1081 | L928-I1025 HydrophobicContact CD2-CG1 4.15Å; V932-I1025 HydrophobicContact CG2-CD1 3.99Å; V932-I1025 HydrophobicContact CG2-CG1 4.04Å; L1021-I1025 HydrophobicContact CD1-CD1 4.15Å; L1021-I1025 HydrophobicContact CD1-CG1 4.22Å; L1021-I1025 HydrophobicContact CG-CD1 4.12Å; L1021-I1025 WeakPolarHBondContact O-CG1 3.25Å; L1021-I1025 PolarHBondContact O-N 2.83Å; M1022-I1025 PolarHBondContact O-N 2.8Å; V1023-I1025 PolarHBondContact O-N 2.97Å; I1025-V1027 PolarHBondContact O-N 3.26Å; I1025-S1028 WeakPolarHBondContact O-CB 3.45Å; I1025-S1028 PolarHBondContact O-N 3.08Å; I1025-S1028 VanDerWaalsContact O-N 3.09Å; I1025-L1029 PolarHBondContact O-N 3.44Å; I1025-I1058 HydrophobicContact CG2-CD1 3.73Å; I1025-I1058 HydrophobicContact CG2-CG1 3.95Å; I1025-F1081 HydrophobicContact CB-CE2 4.2Å; I1025-F1081 HydrophobicContact CG2-CE2 3.96Å |
| 1026 | A | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.4 | -46.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | M1022 V1023 S1028 F1081 L1084 A1085 | M1022-A1026 WeakPolarHBondContact O-CB 3.36Å; M1022-A1026 PolarHBondContact O-N 3.36Å; V1023-A1026 PolarHBondContact O-N 3.27Å; A1026-S1028 VanDerWaalsContact C-N 3.26Å; A1026-S1028 PolarHBondContact O-N 2.94Å; A1026-F1081 HydrophobicContact CB-CD2 3.66Å; A1026-F1081 HydrophobicContact CB-CE2 3.7Å; A1026-F1081 HydrophobicContact CB-CG 4.49Å; A1026-L1084 HydrophobicContact CB-CB 3.79Å; A1026-A1085 HydrophobicContact CB-CB 4.12Å |
| 1027 | V | 93.1 | Very high | 89.1 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.024 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -75.9 | -15 | -179.7 | -57.1 | 0 | 0 | 0 | 0 | 113 | M895 M905 Y909 L912 V1023 F1024 I1025 P1030 | M895-V1027 HydrophobicContact SD-CB 4.28Å; M895-V1027 HydrophobicContact SD-CG1 4.23Å; M895-V1027 HydrophobicContact SD-CG2 3.86Å; M905-V1027 HydrophobicContact CE-CG1 4Å; Y909-V1027 VanDerWaalsContact CE2-O 3.24Å; Y909-V1027 WeakPolarHBondContact CE2-O 3.2Å; L912-V1027 HydrophobicContact CD1-CG2 4.22Å; V1023-V1027 HydrophobicContact CG1-CG1 4.41Å; V1023-V1027 WeakPolarHBondContact O-CG1 3.44Å; V1023-V1027 WeakPolarHBondContact O-CG2 3.4Å; V1023-V1027 PolarHBondContact O-N 3.15Å; F1024-V1027 HydrophobicContact CD2-CG2 4.4Å; F1024-V1027 WeakPolarHBondContact O-CG2 3.4Å; I1025-V1027 PolarHBondContact O-N 3.26Å; V1027-P1030 WeakPolarHBondContact O-CD 3.45Å |
| 1028 | S | 93.5 | Very high | 88.3 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -85.5 | -24.3 | 178.5 | -64.5 | 0 | 0 | 0 | 0 | 113 | L928 F1024 I1025 A1026 P1030 K1031 | L928-S1028 WeakPolarHBondContact CD2-OG 3.48Å; F1024-S1028 WeakPolarHBondContact CD2-OG 3.49Å; F1024-S1028 WeakPolarHBondContact O-CB 3.01Å; F1024-S1028 PolarHBondContact O-N 3.24Å; F1024-S1028 VanDerWaalsContact O-N 3.14Å; F1024-S1028 PolarHBondContact O-OG 2.96Å; I1025-S1028 WeakPolarHBondContact O-CB 3.45Å; I1025-S1028 PolarHBondContact O-N 3.08Å; I1025-S1028 VanDerWaalsContact O-N 3.09Å; A1026-S1028 VanDerWaalsContact C-N 3.26Å; A1026-S1028 PolarHBondContact O-N 2.94Å; S1028-P1030 VanDerWaalsContact C-N 3.34Å; S1028-K1031 WeakPolarHBondContact O-CB 3.38Å; S1028-K1031 PolarHBondContact O-N 2.97Å |
| 1029 | L | 92.5 | Very high | 87.5 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.016 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -52.4 | -38.6 | -178.5 | -65.4 | -179.1 | 0 | 0 | 0 | 115 | I1025 K1031 L1032 I1054 F1081 A1085 L1089 I1115 | I1025-L1029 PolarHBondContact O-N 3.44Å; L1029-K1031 PolarHBondContact O-N 3.07Å; L1029-K1031 VanDerWaalsContact O-N 3.12Å; L1029-L1032 HydrophobicContact CD2-CD1 3.93Å; L1029-L1032 WeakPolarHBondContact O-CB 3.42Å; L1029-L1032 WeakPolarHBondContact O-CG 3.38Å; L1029-L1032 PolarHBondContact O-N 3.15Å; L1029-I1054 HydrophobicContact CD2-CG2 4.32Å; L1029-F1081 HydrophobicContact CD1-CZ 4.2Å; L1029-A1085 HydrophobicContact CD1-CB 3.86Å; L1029-L1089 HydrophobicContact CB-CD2 4.4Å; L1029-I1115 HydrophobicContact CD1-CD1 3.85Å; L1029-I1115 HydrophobicContact CD2-CD1 4.41Å |
| 1030 | P | 89 | Confident | 86.9 | Confident | 15 Ų | 15 | 23.1 Ų | 23.1 | 10% | 0.097 | 13% | 0.128 | C | C | . | . | G | 310 helix | trans | -57.1 | -26.5 | 175.2 | -26.5 | 36 | 0 | 0 | 0 | 114.3 | V1027 S1028 L1032 A1033 L1089 M1092 | V1027-P1030 WeakPolarHBondContact O-CD 3.45Å; S1028-P1030 VanDerWaalsContact C-N 3.34Å; P1030-L1032 PolarHBondContact O-N 3.28Å; P1030-A1033 WeakPolarHBondContact O-CB 3.3Å; P1030-A1033 PolarHBondContact O-N 3.5Å; P1030-A1033 VanDerWaalsContact O-N 3.17Å; P1030-L1089 HydrophobicContact CG-CD2 4.26Å; P1030-M1092 HydrophobicContact CB-CG 3.9Å; P1030-M1092 HydrophobicContact CB-SD 3.91Å |
| 1031 | K | 87.1 | Confident | 86.1 | Confident | 52 Ų | 52 | 25.4 Ų | 25.4 | 23% | 0.226 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -59.7 | -30.4 | 176.3 | -173.8 | 55.7 | 179.9 | 172.2 | 0 | 112.4 | Y909 V925 D926 L929 S1028 L1029 A1033 H1034 | Y909-K1031 WeakPolarHBondContact OH-CB 3.45Å; V925-K1031 HydrophobicContact CG1-CB 3.69Å; V925-K1031 HydrophobicContact CG1-CG 3.82Å; D926-K1031 WeakPolarHBondContact OD1-CE 3.45Å; D926-K1031 WeakPolarHBondContact OD1-CG 3.15Å; L929-K1031 HydrophobicContact CD1-CB 3.8Å; L929-K1031 HydrophobicContact CD1-CG 4.09Å; S1028-K1031 WeakPolarHBondContact O-CB 3.38Å; S1028-K1031 PolarHBondContact O-N 2.97Å; L1029-K1031 PolarHBondContact O-N 3.07Å; L1029-K1031 VanDerWaalsContact O-N 3.12Å; K1031-A1033 PolarHBondContact O-N 3.4Å; K1031-H1034 WeakPolarHBondContact O-CB 3.42Å; K1031-H1034 PolarHBondContact O-N 2.9Å |
| 1032 | L | 87.3 | Confident | 85.3 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.073 | 15% | 0.147 | C | C | . | . | G | 310 helix | trans | -57.3 | -36.7 | 178.6 | -64.2 | 174.9 | 0 | 0 | 0 | 111.5 | L929 L1029 P1030 H1034 G1035 L1038 I1054 I1111 | L929-L1032 HydrophobicContact CD1-CD2 3.93Å; L929-L1032 HydrophobicContact CD1-CG 4.22Å; L929-L1032 HydrophobicContact CD2-CD2 4.4Å; L1029-L1032 HydrophobicContact CD2-CD1 3.93Å; L1029-L1032 WeakPolarHBondContact O-CB 3.42Å; L1029-L1032 WeakPolarHBondContact O-CG 3.38Å; L1029-L1032 PolarHBondContact O-N 3.15Å; P1030-L1032 PolarHBondContact O-N 3.28Å; L1032-H1034 PolarHBondContact O-N 2.82Å; L1032-H1034 VanDerWaalsContact O-N 3.11Å; L1032-G1035 PolarHBondContact O-N 3.08Å; L1032-L1038 HydrophobicContact CB-CD1 3.68Å; L1032-L1038 HydrophobicContact CB-CD2 4.01Å; L1032-L1038 HydrophobicContact CD2-CD1 3.93Å; L1032-L1038 HydrophobicContact CG-CD1 4.32Å; L1032-L1038 WeakPolarHBondContact O-CD2 3.44Å; L1032-I1054 HydrophobicContact CD1-CD1 3.99Å; L1032-I1054 HydrophobicContact CD2-CD1 4.2Å; L1032-I1111 HydrophobicContact CD1-CD1 4.01Å; L1032-I1111 HydrophobicContact CD1-CG2 4.49Å |
| 1033 | A | 83.2 | Confident | 84.6 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -64.2 | -17.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | P1030 K1031 M1092 L1102 K1105 A1108 | P1030-A1033 WeakPolarHBondContact O-CB 3.3Å; P1030-A1033 PolarHBondContact O-N 3.5Å; P1030-A1033 VanDerWaalsContact O-N 3.17Å; K1031-A1033 PolarHBondContact O-N 3.4Å; A1033-M1092 HydrophobicContact CB-CE 4.41Å; A1033-M1092 HydrophobicContact CB-SD 3.58Å; A1033-M1092 VanDerWaalsContact CB-SD 3.58Å; A1033-L1102 HydrophobicContact CB-CD2 4.04Å; A1033-K1105 HydrophobicContact CB-CB 4.45Å; A1033-A1108 HydrophobicContact CB-CB 4.27Å |
| 1034 | H | 79.3 | Confident | 84 | Confident | 87 Ų | 87 | 32.5 Ų | 32.5 | 40% | 0.403 | 18% | 0.184 | S | C | . | . | G | 310 helix | trans | -94.3 | -6.5 | 176.1 | -63.5 | -69.9 | 0 | 0 | 0 | 113.7 | K1031 L1032 A1101 | K1031-H1034 WeakPolarHBondContact O-CB 3.42Å; K1031-H1034 PolarHBondContact O-N 2.9Å; L1032-H1034 PolarHBondContact O-N 2.82Å; L1032-H1034 VanDerWaalsContact O-N 3.11Å; H1034-A1101 PolarHBondContact ND1-O 3.16Å |
| 1035 | G | 73.1 | Confident | 83.5 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | trans | -81.1 | 125.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1032 N1037 L1038 N1104 | L1032-G1035 PolarHBondContact O-N 3.08Å; G1035-N1037 PolarHBondContact O-N 3.49Å; G1035-L1038 WeakPolarHBondContact O-CB 3.38Å; G1035-L1038 PolarHBondContact O-N 3.42Å; G1035-L1038 VanDerWaalsContact O-N 3.15Å; G1035-N1104 PolarHBondContact O-ND2 3.2Å | ||
| 1036 | D | 69.4 | Low | 83.1 | Confident | 136 Ų | 136 | 35.1 Ų | 35.1 | 73% | 0.727 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.7 | 179.4 | -66.2 | -38.5 | 0 | 0 | 0 | 112.7 | L1038 | D1036-L1038 VanDerWaalsContact C-N 3.3Å; D1036-L1038 PolarHBondContact O-N 2.98Å |
| 1037 | N | 70 | Confident | 82.9 | Confident | 86 Ų | 86 | 35.1 Ų | 35.1 | 46% | 0.46 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 15.7 | -178.5 | -62.8 | -10.8 | 0 | 0 | 0 | 113.7 | G1035 C1039 M1048 S1049 | G1035-N1037 PolarHBondContact O-N 3.49Å; N1037-C1039 PolarHBondContact O-N 2.89Å; N1037-M1048 CarbonylContact O-C 3.5Å; N1037-M1048 WeakPolarHBondContact O-CB 3.25Å; N1037-S1049 WeakPolarHBondContact O-CB 3.41Å; N1037-S1049 PolarHBondContact O-N 3.46Å; N1037-S1049 VanDerWaalsContact O-N 3.15Å; N1037-S1049 PolarHBondContact O-OG 3.42Å |
| 1038 | L | 74.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | trans | -87.1 | 12.2 | 176.6 | -146 | 95.4 | 0 | 0 | 0 | 113.3 | L1032 G1035 D1036 Y1040 S1051 N1104 S1107 I1111 | L1032-L1038 HydrophobicContact CB-CD1 3.68Å; L1032-L1038 HydrophobicContact CB-CD2 4.01Å; L1032-L1038 HydrophobicContact CD2-CD1 3.93Å; L1032-L1038 HydrophobicContact CG-CD1 4.32Å; L1032-L1038 WeakPolarHBondContact O-CD2 3.44Å; G1035-L1038 WeakPolarHBondContact O-CB 3.38Å; G1035-L1038 PolarHBondContact O-N 3.42Å; G1035-L1038 VanDerWaalsContact O-N 3.15Å; D1036-L1038 VanDerWaalsContact C-N 3.3Å; D1036-L1038 PolarHBondContact O-N 2.98Å; L1038-Y1040 PolarHBondContact O-N 3.24Å; L1038-S1051 WeakPolarHBondContact CD1-OG 3.44Å; L1038-N1104 HydrophobicContact CB-CB 3.85Å; L1038-N1104 HydrophobicContact CD2-CB 4.13Å; L1038-S1107 WeakPolarHBondContact O-CB 3.37Å; L1038-S1107 PolarHBondContact O-OG 3.38Å; L1038-I1111 HydrophobicContact CD1-CD1 4.39Å; L1038-I1111 HydrophobicContact CD2-CD1 4.37Å | ||
| 1039 | C | 76.4 | Confident | 82.4 | Confident | 41 Ų | 41 | 35.7 Ų | 35.7 | 28% | 0.277 | 20% | 0.201 | S | C | . | . | trans | -57.4 | 124.9 | 174.6 | -170.8 | 0 | 0 | 0 | 0 | 109.9 | N1037 M1048 | N1037-C1039 PolarHBondContact O-N 2.89Å; C1039-M1048 HydrophobicContact CB-CG 4.13Å; C1039-M1048 WeakPolarHBondContact O-CG 3.48Å; C1039-M1048 PolarHBondContact O-N 3.26Å; C1039-M1048 VanDerWaalsContact O-N 3.08Å | ||
| 1040 | Y | 82.5 | Confident | 82.5 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 124.4 | 176.5 | 177.1 | -96.8 | 0 | 0 | 0 | 109.8 | L1038 A1042 D1045 H1047 C1143 | L1038-Y1040 PolarHBondContact O-N 3.24Å; Y1040-A1042 HydrophobicContact CE1-CB 4.17Å; Y1040-D1045 PolarHBondContact OH-OD1 3.29Å; Y1040-H1047 AromaticContact CD2-CE1 3.69Å; Y1040-H1047 AromaticContact CD2-NE2 3.72Å; Y1040-C1143 HydrophobicContact CD1-CB 3.7Å; Y1040-C1143 HydrophobicContact CE1-CB 4.41Å; Y1040-C1143 HydrophobicContact CG-CB 4.23Å |
| 1041 | Q | 81 | Confident | 82.6 | Confident | 49 Ų | 49 | 35 Ų | 35 | 23% | 0.229 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 99.9 | 177 | 179.2 | 167.7 | -7.7 | 0 | 0 | 110.3 | T1043 L1044 D1045 T1046 M1048 | Q1041-T1043 WeakPolarHBondContact CG-OG1 3.49Å; Q1041-T1043 PolarHBondContact NE2-OG1 3.12Å; Q1041-T1043 VanDerWaalsContact NE2-OG1 3.11Å; Q1041-T1043 PolarHBondContact O-N 2.94Å; Q1041-T1043 VanDerWaalsContact O-N 3.15Å; Q1041-L1044 VanDerWaalsContact CD-CD1 3.41Å; Q1041-L1044 HydrophobicContact CG-CB 4.21Å; Q1041-L1044 HydrophobicContact CG-CD1 4.23Å; Q1041-L1044 HydrophobicContact CG-CG 4.12Å; Q1041-L1044 VanDerWaalsContact NE2-CD1 3.27Å; Q1041-L1044 PolarHBondContact O-N 3.02Å; Q1041-L1044 VanDerWaalsContact O-N 3.12Å; Q1041-D1045 PolarHBondContact O-N 3.33Å; Q1041-T1046 PolarHBondContact N-O 3.02Å; Q1041-T1046 PolarHBondContact O-N 3.48Å; Q1041-M1048 HydrophobicContact CB-CE 3.4Å; Q1041-M1048 VanDerWaalsContact CB-CE 3.4Å; Q1041-M1048 HydrophobicContact CG-CE 4.33Å |
| 1042 | A | 79.8 | Confident | 82.9 | Confident | 21 Ų | 21 | 33.3 Ų | 33.3 | 17% | 0.174 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -31.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y1040 L1044 Y1144 A1147 | Y1040-A1042 HydrophobicContact CE1-CB 4.17Å; A1042-L1044 VanDerWaalsContact C-N 3.33Å; A1042-Y1144 HydrophobicContact CB-CD1 3.33Å; A1042-Y1144 HydrophobicContact CB-CE1 3.47Å; A1042-Y1144 VanDerWaalsContact CB-CE1 3.47Å; A1042-Y1144 HydrophobicContact CB-CG 4.29Å; A1042-A1147 HydrophobicContact CB-CB 3.7Å |
| 1043 | T | 80.8 | Confident | 83.3 | Confident | 108 Ų | 108 | 32.8 Ų | 32.8 | 66% | 0.663 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -23.1 | -178.9 | 51.1 | 0 | 0 | 0 | 0 | 113.9 | Q1041 | Q1041-T1043 WeakPolarHBondContact CG-OG1 3.49Å; Q1041-T1043 PolarHBondContact NE2-OG1 3.12Å; Q1041-T1043 VanDerWaalsContact NE2-OG1 3.11Å; Q1041-T1043 PolarHBondContact O-N 2.94Å; Q1041-T1043 VanDerWaalsContact O-N 3.15Å |
| 1044 | L | 83.5 | Confident | 83.9 | Confident | 29 Ų | 29 | 32.7 Ų | 32.7 | 15% | 0.152 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -11.9 | 178 | -62.7 | 177.1 | 0 | 0 | 0 | 112 | S822 L825 V829 Q1041 A1042 T1046 | S822-L1044 WeakPolarHBondContact CB-O 3.17Å; S822-L1044 PolarHBondContact OG-O 3.24Å; L825-L1044 HydrophobicContact CD1-CD2 3.65Å; V829-L1044 HydrophobicContact CG2-CD1 3.99Å; Q1041-L1044 VanDerWaalsContact CD-CD1 3.41Å; Q1041-L1044 HydrophobicContact CG-CB 4.21Å; Q1041-L1044 HydrophobicContact CG-CD1 4.23Å; Q1041-L1044 HydrophobicContact CG-CG 4.12Å; Q1041-L1044 VanDerWaalsContact NE2-CD1 3.27Å; Q1041-L1044 PolarHBondContact O-N 3.02Å; Q1041-L1044 VanDerWaalsContact O-N 3.12Å; A1042-L1044 VanDerWaalsContact C-N 3.33Å; L1044-T1046 HydrophobicContact CB-CG2 3.44Å; L1044-T1046 VanDerWaalsContact CB-CG2 3.44Å; L1044-T1046 WeakPolarHBondContact O-CG2 3.42Å |
| 1045 | D | 85.1 | Confident | 84.6 | Confident | 54 Ų | 54 | 28.6 Ų | 28.6 | 29% | 0.289 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 50.3 | -173 | -169.6 | 23.5 | 0 | 0 | 0 | 112.5 | H824 Y1040 Q1041 | H824-D1045 HydrophobicContact CB-CB 3.82Å; Y1040-D1045 PolarHBondContact OH-OD1 3.29Å; Q1041-D1045 PolarHBondContact O-N 3.33Å |
| 1046 | T | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 158.8 | -176.4 | 124.1 | 0 | 0 | 0 | 0 | 112.6 | Y821 Q1041 L1044 H1052 | Y821-T1046 WeakPolarHBondContact O-CB 3.37Å; Q1041-T1046 PolarHBondContact N-O 3.02Å; Q1041-T1046 PolarHBondContact O-N 3.48Å; L1044-T1046 HydrophobicContact CB-CG2 3.44Å; L1044-T1046 VanDerWaalsContact CB-CG2 3.44Å; L1044-T1046 WeakPolarHBondContact O-CG2 3.42Å; T1046-H1052 VanDerWaalsContact CB-CE1 3.43Å; T1046-H1052 WeakPolarHBondContact CB-CE1 3.4Å |
| 1047 | H | 90.1 | Very high | 87 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 140.5 | 165.7 | -60 | 83.8 | 0 | 0 | 0 | 111 | Y1040 S1049 N1050 H1052 | Y1040-H1047 AromaticContact CD2-CE1 3.69Å; Y1040-H1047 AromaticContact CD2-NE2 3.72Å; H1047-S1049 PolarHBondContact O-N 3.24Å; H1047-N1050 PolarHBondContact O-N 3.39Å; H1047-H1052 PolarHBondContact N-ND1 3.36Å; H1047-H1052 WeakPolarHBondContact ND1-CB 3.47Å; H1047-H1052 AromaticContact ND1-CG 3.91Å; H1047-H1052 AromaticContact ND1-ND1 3.7Å |
| 1048 | M | 88 | Confident | 88.2 | Confident | 8 Ų | 8 | 18 Ų | 18 | 4% | 0.039 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -5.8 | -178.9 | -62.1 | -60.8 | 99.6 | 0 | 0 | 115.3 | L820 N831 T833 N1037 C1039 Q1041 | L820-M1048 HydrophobicContact CD1-CE 3.46Å; L820-M1048 VanDerWaalsContact CD1-CE 3.46Å; L820-M1048 HydrophobicContact CD1-SD 3.72Å; L820-M1048 WeakPolarHBondContact CD2-O 3.47Å; N831-M1048 PolarHBondContact ND2-O 3.26Å; T833-M1048 HydrophobicContact CG2-CG 4.37Å; T833-M1048 HydrophobicContact CG2-SD 3.97Å; N1037-M1048 CarbonylContact O-C 3.5Å; N1037-M1048 WeakPolarHBondContact O-CB 3.25Å; C1039-M1048 HydrophobicContact CB-CG 4.13Å; C1039-M1048 WeakPolarHBondContact O-CG 3.48Å; C1039-M1048 PolarHBondContact O-N 3.26Å; C1039-M1048 VanDerWaalsContact O-N 3.08Å; Q1041-M1048 HydrophobicContact CB-CE 3.4Å; Q1041-M1048 VanDerWaalsContact CB-CE 3.4Å; Q1041-M1048 HydrophobicContact CG-CE 4.33Å |
| 1049 | S | 88.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 18.3 Ų | 18.3 | 6% | 0.056 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 11.4 | 176.8 | 47.8 | 0 | 0 | 0 | 0 | 113 | Y817 N1037 H1047 S1051 | Y817-S1049 WeakPolarHBondContact CD1-O 3.47Å; Y817-S1049 WeakPolarHBondContact CE1-O 3.46Å; N1037-S1049 WeakPolarHBondContact O-CB 3.41Å; N1037-S1049 PolarHBondContact O-N 3.46Å; N1037-S1049 VanDerWaalsContact O-N 3.15Å; N1037-S1049 PolarHBondContact O-OG 3.42Å; H1047-S1049 PolarHBondContact O-N 3.24Å; S1049-S1051 PolarHBondContact O-N 3.04Å; S1049-S1051 PolarHBondContact OG-OG 2.94Å |
| 1050 | N | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | trans | 55 | 16.2 | -171 | -71.6 | -37.8 | 0 | 0 | 0 | 115 | V814 F819 L820 Y821 T933 E937 H1047 H1052 C1053 | V814-N1050 WeakPolarHBondContact CG1-ND2 3.5Å; F819-N1050 PolarHBondContact O-ND2 2.72Å; L820-N1050 WeakPolarHBondContact CA-OD1 3.37Å; Y821-N1050 PolarHBondContact N-OD1 3.41Å; T933-N1050 HydrophobicContact CG2-CB 3.9Å; E937-N1050 HydrophobicContact CG-CB 4.02Å; E937-N1050 VanDerWaalsContact OE1-CB 3.23Å; E937-N1050 WeakPolarHBondContact OE1-CB 3.32Å; E937-N1050 PolarHBondContact OE1-ND2 3.37Å; H1047-N1050 PolarHBondContact O-N 3.39Å; N1050-H1052 PolarHBondContact O-N 3.31Å; N1050-C1053 WeakPolarHBondContact O-CB 3.48Å; N1050-C1053 PolarHBondContact O-N 2.97Å; N1050-C1053 PolarHBondContact O-SG 3.47Å; N1050-C1053 VanDerWaalsContact O-SG 3.37Å | ||
| 1051 | S | 92.5 | Very high | 90.6 | Very high | 4 Ų | 4 | 17.6 Ų | 17.6 | 3% | 0.028 | 10% | 0.102 | C | C | . | . | G | 310 helix | trans | -61.9 | -21.2 | -174.1 | -64.2 | 0 | 0 | 0 | 0 | 113.7 | L1038 S1049 C1053 I1054 | L1038-S1051 WeakPolarHBondContact CD1-OG 3.44Å; S1049-S1051 PolarHBondContact O-N 3.04Å; S1049-S1051 PolarHBondContact OG-OG 2.94Å; S1051-C1053 PolarHBondContact O-N 3.5Å; S1051-I1054 WeakPolarHBondContact O-CB 3.47Å; S1051-I1054 WeakPolarHBondContact O-CD1 3.22Å; S1051-I1054 VanDerWaalsContact O-CG1 3.23Å; S1051-I1054 WeakPolarHBondContact O-CG1 3.41Å; S1051-I1054 PolarHBondContact O-N 3.09Å |
| 1052 | H | 93.1 | Very high | 91.2 | Very high | 17 Ų | 17 | 15.2 Ų | 15.2 | 8% | 0.079 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -62.6 | -26.4 | 169.4 | 53.5 | -67.4 | 0 | 0 | 0 | 113.2 | Y821 T1046 H1047 N1050 I1054 A1055 | Y821-H1052 AromaticContact CD1-NE2 3.98Å; Y821-H1052 PolarHBondContact O-CE1 3.21Å; Y821-H1052 PolarHBondContact O-NE2 3.45Å; T1046-H1052 VanDerWaalsContact CB-CE1 3.43Å; T1046-H1052 WeakPolarHBondContact CB-CE1 3.4Å; H1047-H1052 PolarHBondContact N-ND1 3.36Å; H1047-H1052 WeakPolarHBondContact ND1-CB 3.47Å; H1047-H1052 AromaticContact ND1-CG 3.91Å; H1047-H1052 AromaticContact ND1-ND1 3.7Å; N1050-H1052 PolarHBondContact O-N 3.31Å; H1052-I1054 PolarHBondContact O-N 3.49Å; H1052-A1055 WeakPolarHBondContact O-CB 3.17Å; H1052-A1055 PolarHBondContact O-N 2.98Å |
| 1053 | C | 95.7 | Very high | 91.7 | Very high | 2 Ų | 2 | 14.2 Ų | 14.2 | 1% | 0.014 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -65.2 | -19.6 | 177 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | G936 E937 N1050 S1051 A1055 K1056 A1057 | G936-C1053 VanDerWaalsContact CA-O 3.22Å; G936-C1053 WeakPolarHBondContact CA-O 3.36Å; E937-C1053 HydrophobicContact CG-CB 4.42Å; N1050-C1053 WeakPolarHBondContact O-CB 3.48Å; N1050-C1053 PolarHBondContact O-N 2.97Å; N1050-C1053 PolarHBondContact O-SG 3.47Å; N1050-C1053 VanDerWaalsContact O-SG 3.37Å; S1051-C1053 PolarHBondContact O-N 3.5Å; C1053-A1055 PolarHBondContact O-N 3.03Å; C1053-K1056 PolarHBondContact O-N 2.95Å; C1053-A1057 PolarHBondContact O-N 3.24Å |
| 1054 | I | 96 | Very high | 92.3 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -54.3 | -34.9 | 174.3 | -67.6 | 173 | 0 | 0 | 0 | 111.1 | L929 V932 L1029 L1032 S1051 H1052 K1056 A1057 I1058 | L929-I1054 HydrophobicContact CD2-CD1 4.39Å; V932-I1054 HydrophobicContact CG1-CB 4.33Å; V932-I1054 HydrophobicContact CG1-CG1 4.17Å; V932-I1054 HydrophobicContact CG1-CG2 3.86Å; L1029-I1054 HydrophobicContact CD2-CG2 4.32Å; L1032-I1054 HydrophobicContact CD1-CD1 3.99Å; L1032-I1054 HydrophobicContact CD2-CD1 4.2Å; S1051-I1054 WeakPolarHBondContact O-CB 3.47Å; S1051-I1054 WeakPolarHBondContact O-CD1 3.22Å; S1051-I1054 VanDerWaalsContact O-CG1 3.23Å; S1051-I1054 WeakPolarHBondContact O-CG1 3.41Å; S1051-I1054 PolarHBondContact O-N 3.09Å; H1052-I1054 PolarHBondContact O-N 3.49Å; I1054-K1056 PolarHBondContact O-N 3.14Å; I1054-A1057 WeakPolarHBondContact O-CB 3.49Å; I1054-A1057 PolarHBondContact O-N 3.29Å; I1054-A1057 VanDerWaalsContact O-N 3.15Å; I1054-I1058 HydrophobicContact CG2-CD1 3.45Å; I1054-I1058 VanDerWaalsContact CG2-CD1 3.45Å; I1054-I1058 HydrophobicContact CG2-CG1 3.99Å; I1054-I1058 VanDerWaalsContact O-CG1 3.31Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.25Å; I1054-I1058 PolarHBondContact O-N 3.06Å |
| 1055 | A | 94.7 | Very high | 92.7 | Very high | 1 Ų | 1 | 7.8 Ų | 7.8 | 1% | 0.008 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -53.7 | -51.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1052 C1053 S1059 Q1114 I1115 Q1118 | H1052-A1055 WeakPolarHBondContact O-CB 3.17Å; H1052-A1055 PolarHBondContact O-N 2.98Å; C1053-A1055 PolarHBondContact O-N 3.03Å; A1055-S1059 PolarHBondContact O-N 3.18Å; A1055-S1059 PolarHBondContact O-OG 3.16Å; A1055-Q1114 HydrophobicContact CB-CB 4.18Å; A1055-Q1114 WeakPolarHBondContact CB-O 3.34Å; A1055-I1115 HydrophobicContact CB-CB 4.45Å; A1055-I1115 HydrophobicContact CB-CG1 4Å; A1055-Q1118 HydrophobicContact CB-CB 4.04Å; A1055-Q1118 HydrophobicContact CB-CG 4.01Å |
| 1056 | K | 94.2 | Very high | 93 | Very high | 27 Ų | 27 | 5.3 Ų | 5.3 | 12% | 0.117 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 176.7 | -69.9 | -175.9 | 169.3 | -159.9 | 0 | 112.2 | Y821 I939 S940 D943 C1053 I1054 I1058 S1059 S1060 Q1118 | Y821-K1056 PolarHBondContact OH-NZ 3.02Å; I939-K1056 HydrophobicContact CG2-CB 4.16Å; S940-K1056 WeakPolarHBondContact OG-CD 3.03Å; D943-K1056 WeakPolarHBondContact OD2-CE 3.47Å; D943-K1056 IonicContact OD2-NZ 2.8Å; D943-K1056 PolarHBondContact OD2-NZ 2.73Å; C1053-K1056 PolarHBondContact O-N 2.95Å; I1054-K1056 PolarHBondContact O-N 3.14Å; K1056-I1058 PolarHBondContact O-N 3.12Å; K1056-S1059 PolarHBondContact O-N 3.46Å; K1056-S1060 PolarHBondContact O-N 3.09Å; K1056-S1060 VanDerWaalsContact O-N 3.11Å; K1056-S1060 PolarHBondContact O-OG 3.25Å; K1056-Q1118 HydrophobicContact CG-CB 4.47Å; K1056-Q1118 HydrophobicContact CG-CG 4.47Å |
| 1057 | A | 96.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -58.4 | -47.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | V932 I935 C1053 I1054 S1060 I1061 | V932-A1057 HydrophobicContact CG1-CB 3.73Å; V932-A1057 WeakPolarHBondContact O-CB 3.41Å; I935-A1057 HydrophobicContact CB-CB 4.13Å; I935-A1057 HydrophobicContact CG2-CB 3.79Å; C1053-A1057 PolarHBondContact O-N 3.24Å; I1054-A1057 WeakPolarHBondContact O-CB 3.49Å; I1054-A1057 PolarHBondContact O-N 3.29Å; I1054-A1057 VanDerWaalsContact O-N 3.15Å; A1057-S1060 PolarHBondContact O-N 2.86Å; A1057-I1061 HydrophobicContact CB-CD1 4.41Å; A1057-I1061 VanDerWaalsContact O-CB 3.3Å; A1057-I1061 WeakPolarHBondContact O-CB 3.37Å; A1057-I1061 WeakPolarHBondContact O-CD1 3.37Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.3Å; A1057-I1061 PolarHBondContact O-N 3.02Å |
| 1058 | I | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.9 | -47.2 | -176.7 | -68.7 | 169.6 | 0 | 0 | 0 | 110.7 | V932 M1022 I1025 I1054 K1056 S1060 I1061 A1062 M1078 F1081 I1115 | V932-I1058 HydrophobicContact CG1-CG1 4.48Å; M1022-I1058 HydrophobicContact CE-CG2 3.64Å; I1025-I1058 HydrophobicContact CG2-CD1 3.73Å; I1025-I1058 HydrophobicContact CG2-CG1 3.95Å; I1054-I1058 HydrophobicContact CG2-CD1 3.45Å; I1054-I1058 VanDerWaalsContact CG2-CD1 3.45Å; I1054-I1058 HydrophobicContact CG2-CG1 3.99Å; I1054-I1058 VanDerWaalsContact O-CG1 3.31Å; I1054-I1058 WeakPolarHBondContact O-CG1 3.25Å; I1054-I1058 PolarHBondContact O-N 3.06Å; K1056-I1058 PolarHBondContact O-N 3.12Å; I1058-S1060 PolarHBondContact O-N 3.03Å; I1058-I1061 PolarHBondContact O-N 3.32Å; I1058-A1062 VanDerWaalsContact O-CB 3.3Å; I1058-A1062 WeakPolarHBondContact O-CB 3.46Å; I1058-A1062 PolarHBondContact O-N 3.03Å; I1058-M1078 HydrophobicContact CG2-CE 3.84Å; I1058-M1078 HydrophobicContact CG2-SD 4.29Å; I1058-F1081 HydrophobicContact CD1-CE1 4.41Å; I1058-F1081 HydrophobicContact CD1-CE2 4.16Å; I1058-F1081 HydrophobicContact CD1-CZ 3.64Å; I1058-F1081 HydrophobicContact CG2-CE1 4.18Å; I1058-F1081 HydrophobicContact CG2-CE2 4.36Å; I1058-F1081 HydrophobicContact CG2-CZ 4.11Å; I1058-I1115 HydrophobicContact CD1-CD1 3.72Å; I1058-I1115 HydrophobicContact CD1-CG1 3.97Å; I1058-I1115 HydrophobicContact CD1-CG2 4.34Å; I1058-I1115 HydrophobicContact CG2-CG2 4.45Å |
| 1059 | S | 94 | Very high | 92.7 | Very high | 10 Ų | 10 | 8.4 Ų | 8.4 | 7% | 0.07 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -58.4 | -48 | 177.6 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | A1055 K1056 A1062 G1063 Q1118 S1119 | A1055-S1059 PolarHBondContact O-N 3.18Å; A1055-S1059 PolarHBondContact O-OG 3.16Å; K1056-S1059 PolarHBondContact O-N 3.46Å; S1059-A1062 PolarHBondContact O-N 3.3Å; S1059-G1063 PolarHBondContact O-N 2.99Å; S1059-Q1118 PolarHBondContact OG-O 3.4Å; S1059-Q1118 VanDerWaalsContact OG-O 3.06Å; S1059-S1119 VanDerWaalsContact OG-CA 3.24Å; S1059-S1119 WeakPolarHBondContact OG-CA 3.47Å; S1059-S1119 WeakPolarHBondContact OG-CB 3.46Å; S1059-S1119 PolarHBondContact OG-OG 3.38Å |
| 1060 | S | 94.5 | Very high | 92.3 | Very high | 31 Ų | 31 | 16 Ų | 16 | 22% | 0.217 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -69.5 | -39.1 | -179.4 | -61.4 | 0 | 0 | 0 | 0 | 113.2 | I939 K1056 A1057 I1058 A1064 | I939-S1060 VanDerWaalsContact CD1-CB 3.43Å; K1056-S1060 PolarHBondContact O-N 3.09Å; K1056-S1060 VanDerWaalsContact O-N 3.11Å; K1056-S1060 PolarHBondContact O-OG 3.25Å; A1057-S1060 PolarHBondContact O-N 2.86Å; I1058-S1060 PolarHBondContact O-N 3.03Å; S1060-A1064 WeakPolarHBondContact O-CB 3.49Å; S1060-A1064 PolarHBondContact O-N 3.42Å |
| 1061 | I | 95.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -49.5 | 175.3 | -70.8 | 165.6 | 0 | 0 | 0 | 110 | I878 L881 I935 L1021 M1022 A1057 I1058 A1064 L1065 | I878-I1061 HydrophobicContact CD1-CG1 4.08Å; I878-I1061 HydrophobicContact CG1-CG1 4.15Å; L881-I1061 HydrophobicContact CD1-CD1 4.16Å; I935-I1061 HydrophobicContact CD1-CD1 3.85Å; I935-I1061 HydrophobicContact CD1-CG1 4.4Å; I935-I1061 HydrophobicContact CG2-CD1 4.23Å; I935-I1061 HydrophobicContact CG2-CG1 4.29Å; L1021-I1061 HydrophobicContact CD2-CG2 4.03Å; M1022-I1061 HydrophobicContact SD-CG2 4.47Å; A1057-I1061 HydrophobicContact CB-CD1 4.41Å; A1057-I1061 VanDerWaalsContact O-CB 3.3Å; A1057-I1061 WeakPolarHBondContact O-CB 3.37Å; A1057-I1061 WeakPolarHBondContact O-CD1 3.37Å; A1057-I1061 WeakPolarHBondContact O-CG1 3.3Å; A1057-I1061 PolarHBondContact O-N 3.02Å; I1058-I1061 PolarHBondContact O-N 3.32Å; I1061-A1064 PolarHBondContact O-N 3.19Å; I1061-L1065 HydrophobicContact CG2-CD1 3.59Å; I1061-L1065 HydrophobicContact CG2-CG 4.25Å; I1061-L1065 VanDerWaalsContact O-CB 3.29Å; I1061-L1065 WeakPolarHBondContact O-CB 3.21Å; I1061-L1065 VanDerWaalsContact O-CG 3.3Å; I1061-L1065 WeakPolarHBondContact O-CG 3.47Å; I1061-L1065 PolarHBondContact O-N 3.21Å |
| 1062 | A | 93.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.4 | -49.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1022 I1058 S1059 A1064 F1066 V1074 M1078 | M1022-A1062 HydrophobicContact CE-CB 4.09Å; M1022-A1062 HydrophobicContact SD-CB 4.3Å; I1058-A1062 VanDerWaalsContact O-CB 3.3Å; I1058-A1062 WeakPolarHBondContact O-CB 3.46Å; I1058-A1062 PolarHBondContact O-N 3.03Å; S1059-A1062 PolarHBondContact O-N 3.3Å; A1062-A1064 VanDerWaalsContact C-N 3.34Å; A1062-A1064 PolarHBondContact O-N 2.86Å; A1062-F1066 HydrophobicContact CB-CD2 4.06Å; A1062-F1066 HydrophobicContact CB-CE2 4.13Å; A1062-F1066 WeakPolarHBondContact O-CB 3.34Å; A1062-F1066 WeakPolarHBondContact O-CD2 3.47Å; A1062-F1066 PolarHBondContact O-N 2.85Å; A1062-V1074 HydrophobicContact CB-CG1 4.41Å; A1062-M1078 HydrophobicContact CB-CG 4.11Å; A1062-M1078 HydrophobicContact CB-SD 3.42Å; A1062-M1078 WeakPolarHBondContact CB-SD 3.27Å |
| 1063 | G | 90.5 | Very high | 91 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -55.4 | -47.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S1059 T1067 | S1059-G1063 PolarHBondContact O-N 2.99Å; G1063-T1067 WeakPolarHBondContact O-CB 3.39Å; G1063-T1067 PolarHBondContact O-N 3.06Å; G1063-T1067 PolarHBondContact O-OG1 3.4Å |
| 1064 | A | 91.7 | Very high | 90.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -72.5 | -48.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L998 V999 I1002 S1060 I1061 A1062 I1068 | L998-A1064 HydrophobicContact CB-CB 4.43Å; L998-A1064 HydrophobicContact CD2-CB 3.69Å; L998-A1064 HydrophobicContact CG-CB 3.76Å; V999-A1064 HydrophobicContact CG2-CB 3.94Å; I1002-A1064 HydrophobicContact CD1-CB 3.86Å; S1060-A1064 WeakPolarHBondContact O-CB 3.49Å; S1060-A1064 PolarHBondContact O-N 3.42Å; I1061-A1064 PolarHBondContact O-N 3.19Å; A1062-A1064 VanDerWaalsContact C-N 3.34Å; A1062-A1064 PolarHBondContact O-N 2.86Å; A1064-I1068 WeakPolarHBondContact O-CD1 3.14Å; A1064-I1068 VanDerWaalsContact O-CG1 3.3Å; A1064-I1068 WeakPolarHBondContact O-CG1 3.32Å; A1064-I1068 PolarHBondContact O-N 3Å |
| 1065 | L | 92.1 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66 | -47 | -175.1 | -71.1 | -179.3 | 0 | 0 | 0 | 112.1 | I878 I1002 C1018 L1021 I1061 I1068 H1069 | I878-L1065 HydrophobicContact CG2-CD1 4.35Å; I878-L1065 HydrophobicContact CG2-CD2 4.02Å; I1002-L1065 HydrophobicContact CD1-CD2 4.21Å; I1002-L1065 HydrophobicContact CG2-CD2 4.49Å; C1018-L1065 HydrophobicContact CB-CB 4.27Å; C1018-L1065 HydrophobicContact CB-CD1 4.14Å; L1021-L1065 HydrophobicContact CD2-CD1 3.9Å; I1061-L1065 HydrophobicContact CG2-CD1 3.59Å; I1061-L1065 HydrophobicContact CG2-CG 4.25Å; I1061-L1065 VanDerWaalsContact O-CB 3.29Å; I1061-L1065 WeakPolarHBondContact O-CB 3.21Å; I1061-L1065 VanDerWaalsContact O-CG 3.3Å; I1061-L1065 WeakPolarHBondContact O-CG 3.47Å; I1061-L1065 PolarHBondContact O-N 3.21Å; L1065-I1068 PolarHBondContact O-N 3.41Å; L1065-H1069 PolarHBondContact O-CD2 3.38Å; L1065-H1069 PolarHBondContact O-N 2.9Å |
| 1066 | F | 91.1 | Very high | 90.4 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -75.1 | -27.2 | -176.7 | -64 | -60.8 | 0 | 0 | 0 | 112.4 | Y1015 C1018 M1022 A1062 I1068 H1069 R1070 V1074 R1077 | Y1015-F1066 HydrophobicContact CD2-CD1 4.34Å; Y1015-F1066 AromaticContact CE2-CD1 3.88Å; Y1015-F1066 HydrophobicContact CE2-CD1 3.88Å; Y1015-F1066 HydrophobicContact CE2-CE1 4.05Å; C1018-F1066 HydrophobicContact CB-CE1 4.25Å; M1022-F1066 HydrophobicContact CG-CE2 3.81Å; M1022-F1066 HydrophobicContact CG-CZ 3.8Å; M1022-F1066 HydrophobicContact SD-CE2 4.44Å; A1062-F1066 HydrophobicContact CB-CD2 4.06Å; A1062-F1066 HydrophobicContact CB-CE2 4.13Å; A1062-F1066 WeakPolarHBondContact O-CB 3.34Å; A1062-F1066 WeakPolarHBondContact O-CD2 3.47Å; A1062-F1066 PolarHBondContact O-N 2.85Å; F1066-I1068 VanDerWaalsContact C-N 3.35Å; F1066-H1069 PolarHBondContact O-N 3.31Å; F1066-R1070 PolarHBondContact O-N 3.34Å; F1066-V1074 HydrophobicContact CB-CB 4.31Å; F1066-V1074 HydrophobicContact CB-CG1 4.42Å; F1066-V1074 HydrophobicContact CB-CG2 3.61Å; F1066-V1074 HydrophobicContact CD2-CG1 4.22Å; F1066-R1077 HydrophobicContact CD1-CG 4.19Å; F1066-R1077 HydrophobicContact CD2-CB 4.27Å; F1066-R1077 HydrophobicContact CE1-CB 4.25Å; F1066-R1077 HydrophobicContact CE1-CG 3.78Å; F1066-R1077 HydrophobicContact CE2-CB 3.73Å; F1066-R1077 HydrophobicContact CE2-CG 4.17Å; F1066-R1077 HydrophobicContact CZ-CB 3.73Å; F1066-R1077 HydrophobicContact CZ-CG 3.78Å |
| 1067 | T | 87 | Confident | 90.4 | Very high | 31 Ų | 31 | 35 Ų | 35 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.5 | -36.7 | 169.9 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | V994 G1063 H1069 R1070 | V994-T1067 HydrophobicContact CG1-CG2 4.02Å; V994-T1067 WeakPolarHBondContact CG2-OG1 3.39Å; G1063-T1067 WeakPolarHBondContact O-CB 3.39Å; G1063-T1067 PolarHBondContact O-N 3.06Å; G1063-T1067 PolarHBondContact O-OG1 3.4Å; T1067-H1069 VanDerWaalsContact C-N 3.26Å; T1067-H1069 PolarHBondContact O-N 3.08Å; T1067-R1070 PolarHBondContact O-N 3.39Å |
| 1068 | I | 87.7 | Confident | 90.3 | Very high | 25 Ų | 25 | 35 Ų | 35 | 13% | 0.128 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -36.2 | 176.5 | -72.4 | 165 | 0 | 0 | 0 | 111.6 | V999 I1002 R1003 A1010 A1064 L1065 F1066 | V999-I1068 HydrophobicContact CG1-CD1 4.35Å; V999-I1068 HydrophobicContact CG1-CG1 3.83Å; I1002-I1068 HydrophobicContact CB-CD1 3.81Å; I1002-I1068 HydrophobicContact CD1-CD1 4.23Å; I1002-I1068 HydrophobicContact CG2-CD1 3.53Å; R1003-I1068 HydrophobicContact CG-CD1 4.43Å; R1003-I1068 HydrophobicContact CG-CG1 4.43Å; A1010-I1068 HydrophobicContact CB-CG2 4.48Å; A1064-I1068 WeakPolarHBondContact O-CD1 3.14Å; A1064-I1068 VanDerWaalsContact O-CG1 3.3Å; A1064-I1068 WeakPolarHBondContact O-CG1 3.32Å; A1064-I1068 PolarHBondContact O-N 3Å; L1065-I1068 PolarHBondContact O-N 3.41Å; F1066-I1068 VanDerWaalsContact C-N 3.35Å |
| 1069 | H | 86.6 | Confident | 90.1 | Very high | 16 Ų | 16 | 40 Ų | 40 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -86.7 | -9.6 | -178.2 | -66.3 | -73.8 | 0 | 0 | 0 | 114.6 | D1014 Y1015 C1018 L1065 F1066 T1067 H1071 | D1014-H1069 IonicContact OD2-CE1 3.86Å; D1014-H1069 PolarHBondContact OD2-CE1 2.66Å; D1014-H1069 VanDerWaalsContact OD2-CE1 3.29Å; D1014-H1069 IonicContact OD2-NE2 3.51Å; D1014-H1069 PolarHBondContact OD2-NE2 3.12Å; Y1015-H1069 HydrophobicContact CD2-CB 3.84Å; Y1015-H1069 AromaticContact CD2-CG 3.91Å; Y1015-H1069 PolarHBondContact N-CE1 2.74Å; Y1015-H1069 VanDerWaalsContact N-CE1 3.3Å; C1018-H1069 PolarHBondContact SG-NE2 3.1Å; C1018-H1069 VanDerWaalsContact SG-NE2 3.38Å; L1065-H1069 PolarHBondContact O-CD2 3.38Å; L1065-H1069 PolarHBondContact O-N 2.9Å; F1066-H1069 PolarHBondContact O-N 3.31Å; T1067-H1069 VanDerWaalsContact C-N 3.26Å; T1067-H1069 PolarHBondContact O-N 3.08Å; H1069-H1071 VanDerWaalsContact C-N 3.29Å; H1069-H1071 PolarHBondContact O-CD2 3.08Å; H1069-H1071 PolarHBondContact O-N 3.18Å |
| 1070 | R | 81.4 | Confident | 90.1 | Very high | 169 Ų | 169 | 42 Ų | 42 | 64% | 0.638 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 36 | 173.1 | -59.3 | -179.3 | 167.1 | -176.3 | -9 | 115 | D977 F1066 T1067 | D977-R1070 IonicContact OD1-NH2 2.81Å; F1066-R1070 PolarHBondContact O-N 3.34Å; T1067-R1070 PolarHBondContact O-N 3.39Å |
| 1071 | H | 80.1 | Confident | 90.2 | Very high | 77 Ų | 77 | 40.7 Ų | 40.7 | 36% | 0.356 | 20% | 0.201 | S | C | . | . | trans | -88.5 | -7.2 | 173.7 | -73.3 | -80.1 | 0 | 0 | 0 | 113.5 | E1012 Y1015 H1069 D1073 | E1012-H1071 IonicContact OE1-CE1 2.79Å; E1012-H1071 IonicContact OE1-NE2 2.69Å; Y1015-H1071 AromaticContact CD1-NE2 3.91Å; Y1015-H1071 AromaticContact CD2-CD2 3.37Å; Y1015-H1071 WeakPolarHBondContact CD2-CD2 3.43Å; Y1015-H1071 AromaticContact CD2-NE2 3.67Å; Y1015-H1071 HydrophobicContact CE2-CB 4.34Å; Y1015-H1071 AromaticContact CE2-CD2 3.33Å; Y1015-H1071 WeakPolarHBondContact CE2-CD2 3.28Å; Y1015-H1071 AromaticContact CE2-CG 3.96Å; Y1015-H1071 AromaticContact CE2-NE2 3.91Å; Y1015-H1071 AromaticContact CG-CD2 3.89Å; Y1015-H1071 AromaticContact CG-NE2 3.66Å; Y1015-H1071 AromaticContact CZ-CD2 3.85Å; H1069-H1071 VanDerWaalsContact C-N 3.29Å; H1069-H1071 PolarHBondContact O-CD2 3.08Å; H1069-H1071 PolarHBondContact O-N 3.18Å; H1071-D1073 HydrophobicContact CB-CB 4.31Å; H1071-D1073 WeakPolarHBondContact CB-OD1 3.41Å; H1071-D1073 PolarHBondContact O-N 3.12Å | ||
| 1072 | D | 80.9 | Confident | 90.2 | Very high | 155 Ų | 155 | 40.7 Ų | 40.7 | 83% | 0.829 | 20% | 0.202 | S | C | * | . | S | Bend | trans | 50.3 | 30.3 | -176.2 | -57.9 | -27.6 | 0 | 0 | 0 | 114.2 | ||
| 1073 | D | 89.5 | Confident | 90.1 | Very high | 23 Ų | 23 | 42.6 Ų | 42.6 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | trans | -114.4 | 14.8 | -171.9 | 77 | -29.8 | 0 | 0 | 0 | 113.5 | Y1015 H1071 V1075 A1076 R1077 | Y1015-D1073 PolarHBondContact OH-OD2 3.41Å; H1071-D1073 HydrophobicContact CB-CB 4.31Å; H1071-D1073 WeakPolarHBondContact CB-OD1 3.41Å; H1071-D1073 PolarHBondContact O-N 3.12Å; D1073-V1075 VanDerWaalsContact C-N 3.27Å; D1073-V1075 PolarHBondContact O-N 3.35Å; D1073-A1076 HydrophobicContact CB-CB 4.42Å; D1073-A1076 WeakPolarHBondContact O-CA 3.17Å; D1073-A1076 WeakPolarHBondContact O-CB 3.41Å; D1073-A1076 PolarHBondContact O-N 2.89Å; D1073-R1077 WeakPolarHBondContact O-CG 3.34Å; D1073-R1077 PolarHBondContact O-N 2.85Å; D1073-R1077 WeakPolarHBondContact OD2-CG 3.42Å; D1073-R1077 IonicContact OD2-CZ 3.03Å; D1073-R1077 IonicContact OD2-NE 3.72Å; D1073-R1077 PolarHBondContact OD2-NE 2.76Å; D1073-R1077 IonicContact OD2-NH2 3.93Å; D1073-R1077 PolarHBondContact OD2-NH2 3.5Å | ||
| 1074 | V | 90.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 11% | 0.109 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -50.7 | -47.8 | -177.9 | -167.3 | 0 | 0 | 0 | 0 | 111.3 | A1062 F1066 A1076 R1077 M1078 F1121 | A1062-V1074 HydrophobicContact CB-CG1 4.41Å; F1066-V1074 HydrophobicContact CB-CB 4.31Å; F1066-V1074 HydrophobicContact CB-CG1 4.42Å; F1066-V1074 HydrophobicContact CB-CG2 3.61Å; F1066-V1074 HydrophobicContact CD2-CG1 4.22Å; V1074-A1076 VanDerWaalsContact C-N 3.34Å; V1074-A1076 PolarHBondContact O-N 3.05Å; V1074-R1077 PolarHBondContact O-N 3.18Å; V1074-M1078 HydrophobicContact CG1-CG 4.41Å; V1074-M1078 WeakPolarHBondContact O-CB 3.35Å; V1074-M1078 VanDerWaalsContact O-CG 3.29Å; V1074-M1078 WeakPolarHBondContact O-CG 3.4Å; V1074-M1078 PolarHBondContact O-N 3.29Å; V1074-F1121 HydrophobicContact CB-CD1 4.33Å; V1074-F1121 HydrophobicContact CB-CE1 4.31Å; V1074-F1121 HydrophobicContact CG1-CD1 3.84Å; V1074-F1121 HydrophobicContact CG1-CD2 4.04Å; V1074-F1121 HydrophobicContact CG1-CE1 3.76Å; V1074-F1121 HydrophobicContact CG1-CE2 3.96Å; V1074-F1121 HydrophobicContact CG1-CG 3.98Å; V1074-F1121 HydrophobicContact CG1-CZ 3.83Å |
| 1075 | V | 91.5 | Very high | 90.3 | Very high | 66 Ų | 66 | 42.9 Ų | 42.9 | 40% | 0.4 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 178.9 | 176.5 | 0 | 0 | 0 | 0 | 111.5 | D1073 M1078 K1079 F1121 | D1073-V1075 VanDerWaalsContact C-N 3.27Å; D1073-V1075 PolarHBondContact O-N 3.35Å; V1075-M1078 PolarHBondContact O-N 3.36Å; V1075-K1079 HydrophobicContact CG1-CD 4.23Å; V1075-K1079 WeakPolarHBondContact O-CB 3.18Å; V1075-K1079 VanDerWaalsContact O-CG 3.27Å; V1075-K1079 WeakPolarHBondContact O-CG 3.19Å; V1075-K1079 PolarHBondContact O-N 2.88Å; V1075-F1121 HydrophobicContact CG2-CB 4.36Å; V1075-F1121 HydrophobicContact CG2-CD1 4.22Å |
| 1076 | A | 92.3 | Very high | 90.3 | Very high | 51 Ų | 51 | 42.9 Ų | 42.9 | 42% | 0.421 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1073 V1074 K1079 E1080 | D1073-A1076 HydrophobicContact CB-CB 4.42Å; D1073-A1076 WeakPolarHBondContact O-CA 3.17Å; D1073-A1076 WeakPolarHBondContact O-CB 3.41Å; D1073-A1076 PolarHBondContact O-N 2.89Å; V1074-A1076 VanDerWaalsContact C-N 3.34Å; V1074-A1076 PolarHBondContact O-N 3.05Å; A1076-K1079 WeakPolarHBondContact O-CB 3.11Å; A1076-K1079 PolarHBondContact O-N 3.43Å; A1076-E1080 PolarHBondContact O-N 3.22Å |
| 1077 | R | 93.6 | Very high | 90.2 | Very high | 59 Ų | 59 | 44.5 Ų | 44.5 | 22% | 0.223 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.9 | -37.5 | 175.9 | -62.9 | -64.3 | 145.3 | -144.9 | -2.5 | 112.6 | Y1015 F1066 D1073 V1074 E1080 F1081 | Y1015-R1077 PolarHBondContact OH-NE 3.14Å; F1066-R1077 HydrophobicContact CD1-CG 4.19Å; F1066-R1077 HydrophobicContact CD2-CB 4.27Å; F1066-R1077 HydrophobicContact CE1-CB 4.25Å; F1066-R1077 HydrophobicContact CE1-CG 3.78Å; F1066-R1077 HydrophobicContact CE2-CB 3.73Å; F1066-R1077 HydrophobicContact CE2-CG 4.17Å; F1066-R1077 HydrophobicContact CZ-CB 3.73Å; F1066-R1077 HydrophobicContact CZ-CG 3.78Å; D1073-R1077 WeakPolarHBondContact O-CG 3.34Å; D1073-R1077 PolarHBondContact O-N 2.85Å; D1073-R1077 WeakPolarHBondContact OD2-CG 3.42Å; D1073-R1077 IonicContact OD2-CZ 3.03Å; D1073-R1077 IonicContact OD2-NE 3.72Å; D1073-R1077 PolarHBondContact OD2-NE 2.76Å; D1073-R1077 IonicContact OD2-NH2 3.93Å; D1073-R1077 PolarHBondContact OD2-NH2 3.5Å; V1074-R1077 PolarHBondContact O-N 3.18Å; R1077-E1080 IonicContact CZ-OE2 2.71Å; R1077-E1080 IonicContact NH1-OE2 3.94Å; R1077-E1080 PolarHBondContact NH1-OE2 3.11Å; R1077-E1080 PolarHBondContact O-N 2.88Å; R1077-F1081 WeakPolarHBondContact O-CB 3.29Å; R1077-F1081 PolarHBondContact O-N 3.47Å |
| 1078 | M | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 174.9 | -72.1 | -60.9 | -61.1 | 0 | 0 | 111.8 | M1022 I1058 A1062 V1074 V1075 F1081 L1082 F1121 L1122 | M1022-M1078 HydrophobicContact CE-SD 3.55Å; M1022-M1078 VanDerWaalsContact CE-SD 3.55Å; I1058-M1078 HydrophobicContact CG2-CE 3.84Å; I1058-M1078 HydrophobicContact CG2-SD 4.29Å; A1062-M1078 HydrophobicContact CB-CG 4.11Å; A1062-M1078 HydrophobicContact CB-SD 3.42Å; A1062-M1078 WeakPolarHBondContact CB-SD 3.27Å; V1074-M1078 HydrophobicContact CG1-CG 4.41Å; V1074-M1078 WeakPolarHBondContact O-CB 3.35Å; V1074-M1078 VanDerWaalsContact O-CG 3.29Å; V1074-M1078 WeakPolarHBondContact O-CG 3.4Å; V1074-M1078 PolarHBondContact O-N 3.29Å; V1075-M1078 PolarHBondContact O-N 3.36Å; M1078-F1081 HydrophobicContact CE-CD1 4.25Å; M1078-F1081 WeakPolarHBondContact O-CB 3.5Å; M1078-F1081 PolarHBondContact O-N 3.14Å; M1078-L1082 WeakPolarHBondContact O-CB 3.19Å; M1078-L1082 PolarHBondContact O-N 2.94Å; M1078-F1121 HydrophobicContact CB-CB 3.97Å; M1078-F1121 HydrophobicContact CG-CB 3.82Å; M1078-F1121 HydrophobicContact CG-CD2 4.08Å; M1078-F1121 HydrophobicContact CG-CG 4.21Å; M1078-L1122 HydrophobicContact CB-CD2 3.79Å; M1078-L1122 HydrophobicContact CB-CG 4.18Å; M1078-L1122 HydrophobicContact CE-CD1 3.72Å; M1078-L1122 HydrophobicContact CE-CG 4.07Å |
| 1079 | K | 94.6 | Very high | 90.4 | Very high | 105 Ų | 105 | 42.5 Ų | 42.5 | 46% | 0.457 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.2 | -46 | 170.4 | -78.3 | 169.7 | 179.7 | -177.3 | 0 | 112.1 | V1075 A1076 L1082 A1083 L1126 | V1075-K1079 HydrophobicContact CG1-CD 4.23Å; V1075-K1079 WeakPolarHBondContact O-CB 3.18Å; V1075-K1079 VanDerWaalsContact O-CG 3.27Å; V1075-K1079 WeakPolarHBondContact O-CG 3.19Å; V1075-K1079 PolarHBondContact O-N 2.88Å; A1076-K1079 WeakPolarHBondContact O-CB 3.11Å; A1076-K1079 PolarHBondContact O-N 3.43Å; K1079-L1082 PolarHBondContact O-N 2.63Å; K1079-A1083 PolarHBondContact O-N 3.03Å; K1079-L1126 HydrophobicContact CB-CD2 4.41Å; K1079-L1126 HydrophobicContact CD-CD2 4.48Å; K1079-L1126 HydrophobicContact CG-CD1 4.17Å; K1079-L1126 HydrophobicContact CG-CD2 3.5Å; K1079-L1126 VanDerWaalsContact CG-CD2 3.5Å; K1079-L1126 HydrophobicContact CG-CG 4.47Å |
| 1080 | E | 94 | Very high | 90.4 | Very high | 53 Ų | 53 | 44.6 Ų | 44.6 | 25% | 0.248 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 175.2 | 179.7 | 179.8 | -163.7 | 0 | 0 | 111.6 | R896 A1076 R1077 L1082 A1083 L1084 | R896-E1080 IonicContact CZ-OE1 2.64Å; R896-E1080 VanDerWaalsContact CZ-OE1 3.3Å; R896-E1080 IonicContact CZ-OE2 3.58Å; R896-E1080 IonicContact NE-OE1 3.63Å; R896-E1080 PolarHBondContact NE-OE1 3.28Å; R896-E1080 IonicContact NE-OE2 3.3Å; R896-E1080 VanDerWaalsContact NH2-CD 3.34Å; R896-E1080 IonicContact NH2-OE1 2.78Å; R896-E1080 PolarHBondContact NH2-OE1 3.36Å; R896-E1080 IonicContact NH2-OE2 3.31Å; R896-E1080 PolarHBondContact NH2-OE2 3.42Å; A1076-E1080 PolarHBondContact O-N 3.22Å; R1077-E1080 IonicContact CZ-OE2 2.71Å; R1077-E1080 IonicContact NH1-OE2 3.94Å; R1077-E1080 PolarHBondContact NH1-OE2 3.11Å; R1077-E1080 PolarHBondContact O-N 2.88Å; E1080-L1082 PolarHBondContact O-N 3.22Å; E1080-A1083 PolarHBondContact O-N 3.26Å; E1080-L1084 HydrophobicContact CG-CD1 4.16Å; E1080-L1084 WeakPolarHBondContact O-CG 3.28Å; E1080-L1084 PolarHBondContact O-N 2.88Å |
| 1081 | F | 95.6 | Very high | 90.4 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.2 | -50.1 | 174.1 | 164.4 | -88.7 | 0 | 0 | 0 | 111.6 | M1022 I1025 A1026 L1029 I1058 R1077 M1078 A1083 L1084 A1085 I1115 | M1022-F1081 HydrophobicContact CB-CB 4.48Å; M1022-F1081 HydrophobicContact CB-CD2 4.36Å; M1022-F1081 HydrophobicContact CE-CB 4.26Å; M1022-F1081 HydrophobicContact CE-CD2 3.81Å; M1022-F1081 HydrophobicContact CE-CE2 4.44Å; M1022-F1081 HydrophobicContact CE-CG 3.99Å; M1022-F1081 WeakPolarHBondContact O-CD2 3.34Å; I1025-F1081 HydrophobicContact CB-CE2 4.2Å; I1025-F1081 HydrophobicContact CG2-CE2 3.96Å; A1026-F1081 HydrophobicContact CB-CD2 3.66Å; A1026-F1081 HydrophobicContact CB-CE2 3.7Å; A1026-F1081 HydrophobicContact CB-CG 4.49Å; L1029-F1081 HydrophobicContact CD1-CZ 4.2Å; I1058-F1081 HydrophobicContact CD1-CE1 4.41Å; I1058-F1081 HydrophobicContact CD1-CE2 4.16Å; I1058-F1081 HydrophobicContact CD1-CZ 3.64Å; I1058-F1081 HydrophobicContact CG2-CE1 4.18Å; I1058-F1081 HydrophobicContact CG2-CE2 4.36Å; I1058-F1081 HydrophobicContact CG2-CZ 4.11Å; R1077-F1081 WeakPolarHBondContact O-CB 3.29Å; R1077-F1081 PolarHBondContact O-N 3.47Å; M1078-F1081 HydrophobicContact CE-CD1 4.25Å; M1078-F1081 WeakPolarHBondContact O-CB 3.5Å; M1078-F1081 PolarHBondContact O-N 3.14Å; F1081-A1083 PolarHBondContact O-N 2.94Å; F1081-L1084 PolarHBondContact O-N 3.11Å; F1081-A1085 HydrophobicContact CE1-CB 4.3Å; F1081-A1085 HydrophobicContact CZ-CB 4.23Å; F1081-A1085 WeakPolarHBondContact O-CB 3.15Å; F1081-A1085 PolarHBondContact O-N 3.08Å; F1081-I1115 HydrophobicContact CE1-CG2 3.88Å; F1081-I1115 HydrophobicContact CZ-CD1 4.43Å; F1081-I1115 HydrophobicContact CZ-CG2 4.48Å |
| 1082 | L | 95.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -64.6 | -39.7 | -176.9 | -178.8 | 60.4 | 0 | 0 | 0 | 111.9 | M1078 K1079 E1080 A1085 S1086 L1112 V1116 L1122 L1126 L1127 | M1078-L1082 WeakPolarHBondContact O-CB 3.19Å; M1078-L1082 PolarHBondContact O-N 2.94Å; K1079-L1082 PolarHBondContact O-N 2.63Å; E1080-L1082 PolarHBondContact O-N 3.22Å; L1082-A1085 PolarHBondContact O-N 3.11Å; L1082-S1086 VanDerWaalsContact O-CB 3.23Å; L1082-S1086 WeakPolarHBondContact O-CB 3.44Å; L1082-S1086 PolarHBondContact O-N 3.34Å; L1082-S1086 PolarHBondContact O-OG 3.41Å; L1082-L1112 HydrophobicContact CD1-CD1 3.89Å; L1082-V1116 HydrophobicContact CD1-CG2 3.83Å; L1082-V1116 HydrophobicContact CD2-CG2 4.12Å; L1082-L1122 HydrophobicContact CB-CD1 4.38Å; L1082-L1122 HydrophobicContact CB-CD2 4.19Å; L1082-L1122 HydrophobicContact CD2-CD1 4.32Å; L1082-L1122 HydrophobicContact CD2-CD2 4.02Å; L1082-L1126 HydrophobicContact CD2-CB 4.43Å; L1082-L1126 HydrophobicContact CD2-CD2 3.76Å; L1082-L1126 HydrophobicContact CD2-CG 3.83Å; L1082-L1127 HydrophobicContact CD1-CD1 4.02Å |
| 1083 | A | 92.3 | Very high | 89.4 | Confident | 39 Ų | 39 | 31.9 Ų | 31.9 | 32% | 0.322 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1079 E1080 F1081 S1087 | K1079-A1083 PolarHBondContact O-N 3.03Å; E1080-A1083 PolarHBondContact O-N 3.26Å; F1081-A1083 PolarHBondContact O-N 2.94Å; A1083-S1087 WeakPolarHBondContact O-CB 3.46Å; A1083-S1087 PolarHBondContact O-N 3.1Å |
| 1084 | L | 92.3 | Very high | 88 | Confident | 7 Ų | 7 | 34.7 Ų | 34.7 | 4% | 0.037 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.2 | -44.7 | 176.9 | -72.5 | 170.8 | 0 | 0 | 0 | 112.3 | Y899 V1023 A1026 E1080 F1081 S1087 S1088 | Y899-L1084 VanDerWaalsContact CB-CD2 3.42Å; Y899-L1084 HydrophobicContact CD1-CD2 4.47Å; Y899-L1084 HydrophobicContact CG-CD2 3.93Å; V1023-L1084 HydrophobicContact CB-CD1 4.36Å; V1023-L1084 HydrophobicContact CG1-CD1 4.25Å; V1023-L1084 HydrophobicContact CG2-CD1 3.85Å; A1026-L1084 HydrophobicContact CB-CB 3.79Å; E1080-L1084 HydrophobicContact CG-CD1 4.16Å; E1080-L1084 WeakPolarHBondContact O-CG 3.28Å; E1080-L1084 PolarHBondContact O-N 2.88Å; F1081-L1084 PolarHBondContact O-N 3.11Å; L1084-S1087 PolarHBondContact O-N 3.22Å; L1084-S1088 VanDerWaalsContact O-CB 3.31Å; L1084-S1088 WeakPolarHBondContact O-CB 3.36Å; L1084-S1088 PolarHBondContact O-N 3.3Å; L1084-S1088 PolarHBondContact O-OG 3.37Å |
| 1085 | A | 93.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -51.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1026 L1029 F1081 L1082 S1087 S1088 L1089 L1112 | A1026-A1085 HydrophobicContact CB-CB 4.12Å; L1029-A1085 HydrophobicContact CD1-CB 3.86Å; F1081-A1085 HydrophobicContact CE1-CB 4.3Å; F1081-A1085 HydrophobicContact CZ-CB 4.23Å; F1081-A1085 WeakPolarHBondContact O-CB 3.15Å; F1081-A1085 PolarHBondContact O-N 3.08Å; L1082-A1085 PolarHBondContact O-N 3.11Å; A1085-S1087 VanDerWaalsContact C-N 3.35Å; A1085-S1087 PolarHBondContact O-N 3.13Å; A1085-S1088 PolarHBondContact O-N 3.3Å; A1085-L1089 WeakPolarHBondContact O-CB 3.24Å; A1085-L1089 WeakPolarHBondContact O-CG 3.46Å; A1085-L1089 PolarHBondContact O-N 3.49Å; A1085-L1112 HydrophobicContact CB-CD1 3.89Å |
| 1086 | S | 92.2 | Very high | 84.4 | Confident | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.007 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 177.3 | -58.2 | 0 | 0 | 0 | 0 | 111.3 | L1082 S1088 L1089 L1090 | L1082-S1086 VanDerWaalsContact O-CB 3.23Å; L1082-S1086 WeakPolarHBondContact O-CB 3.44Å; L1082-S1086 PolarHBondContact O-N 3.34Å; L1082-S1086 PolarHBondContact O-OG 3.41Å; S1086-S1088 VanDerWaalsContact C-N 3.32Å; S1086-S1088 PolarHBondContact O-N 3.36Å; S1086-L1089 PolarHBondContact O-N 2.73Å; S1086-L1090 WeakPolarHBondContact O-CB 3.43Å; S1086-L1090 VanDerWaalsContact O-CG 3.29Å; S1086-L1090 WeakPolarHBondContact O-CG 3.13Å; S1086-L1090 PolarHBondContact O-N 2.7Å |
| 1087 | S | 89.7 | Confident | 82.6 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 25% | 0.252 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.6 | -33.6 | 179.3 | -166.3 | 0 | 0 | 0 | 0 | 113 | A1083 L1084 A1085 R1091 | A1083-S1087 WeakPolarHBondContact O-CB 3.46Å; A1083-S1087 PolarHBondContact O-N 3.1Å; L1084-S1087 PolarHBondContact O-N 3.22Å; A1085-S1087 VanDerWaalsContact C-N 3.35Å; A1085-S1087 PolarHBondContact O-N 3.13Å; S1087-R1091 WeakPolarHBondContact O-CG 3.35Å; S1087-R1091 PolarHBondContact O-NE 3.35Å; S1087-R1091 PolarHBondContact OG-NH2 3.48Å |
| 1088 | S | 88.8 | Confident | 80.6 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.6 | -40.5 | 178.1 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | L1084 A1085 S1086 R1091 | L1084-S1088 VanDerWaalsContact O-CB 3.31Å; L1084-S1088 WeakPolarHBondContact O-CB 3.36Å; L1084-S1088 PolarHBondContact O-N 3.3Å; L1084-S1088 PolarHBondContact O-OG 3.37Å; A1085-S1088 PolarHBondContact O-N 3.3Å; S1086-S1088 VanDerWaalsContact C-N 3.32Å; S1086-S1088 PolarHBondContact O-N 3.36Å; S1088-R1091 PolarHBondContact O-N 3.17Å |
| 1089 | L | 89.6 | Confident | 78.7 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.5 | -34.3 | 177.9 | -75.2 | 170.6 | 0 | 0 | 0 | 113.5 | L1029 P1030 A1085 S1086 R1091 M1092 A1108 Y1109 L1112 F1131 | L1029-L1089 HydrophobicContact CB-CD2 4.4Å; P1030-L1089 HydrophobicContact CG-CD2 4.26Å; A1085-L1089 WeakPolarHBondContact O-CB 3.24Å; A1085-L1089 WeakPolarHBondContact O-CG 3.46Å; A1085-L1089 PolarHBondContact O-N 3.49Å; S1086-L1089 PolarHBondContact O-N 2.73Å; L1089-R1091 VanDerWaalsContact C-N 3.3Å; L1089-R1091 PolarHBondContact O-N 3.28Å; L1089-M1092 HydrophobicContact CB-CE 4.23Å; L1089-M1092 HydrophobicContact CD2-CE 3.53Å; L1089-M1092 HydrophobicContact CD2-SD 4.17Å; L1089-M1092 HydrophobicContact CG-CE 4.49Å; L1089-M1092 VanDerWaalsContact O-CE 3.25Å; L1089-M1092 WeakPolarHBondContact O-CE 3.13Å; L1089-M1092 PolarHBondContact O-N 3.3Å; L1089-A1108 HydrophobicContact CD2-CB 3.97Å; L1089-Y1109 HydrophobicContact CB-CD1 4.37Å; L1089-Y1109 HydrophobicContact CB-CE1 3.98Å; L1089-Y1109 PolarHBondContact O-OH 2.92Å; L1089-L1112 HydrophobicContact CD1-CB 3.8Å; L1089-L1112 HydrophobicContact CD1-CD1 3.94Å; L1089-L1112 HydrophobicContact CD1-CD2 3.8Å; L1089-L1112 HydrophobicContact CD1-CG 4.04Å; L1089-F1131 HydrophobicContact CB-CE2 4.16Å |
| 1090 | L | 86.8 | Confident | 76.6 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 31% | 0.314 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -30.8 | 174.3 | -73.9 | 171.4 | 0 | 0 | 0 | 112.6 | S1086 M1092 F1131 L1135 | S1086-L1090 WeakPolarHBondContact O-CB 3.43Å; S1086-L1090 VanDerWaalsContact O-CG 3.29Å; S1086-L1090 WeakPolarHBondContact O-CG 3.13Å; S1086-L1090 PolarHBondContact O-N 2.7Å; L1090-M1092 VanDerWaalsContact C-N 3.29Å; L1090-M1092 PolarHBondContact O-N 3.23Å; L1090-F1131 HydrophobicContact CD1-CD2 4.3Å; L1090-F1131 HydrophobicContact CD2-CD2 4.05Å; L1090-F1131 HydrophobicContact CD2-CE2 3.73Å; L1090-F1131 HydrophobicContact CD2-CZ 4.38Å; L1090-F1131 HydrophobicContact CG-CD2 3.88Å; L1090-F1131 HydrophobicContact CG-CE2 3.78Å; L1090-L1135 HydrophobicContact CD2-CD1 3.52Å |
| 1091 | R | 80.8 | Confident | 74.8 | Confident | 36 Ų | 36 | 55 Ų | 55 | 14% | 0.136 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.1 | -17.8 | -179.7 | -80.5 | 179.5 | -112.4 | -162.8 | -7.2 | 114.6 | Y899 M905 S1087 S1088 L1089 N1093 A1094 D1095 | Y899-R1091 VanDerWaalsContact O-CZ 3.26Å; Y899-R1091 PolarHBondContact O-NH1 2.91Å; Y899-R1091 PolarHBondContact O-NH2 3.49Å; M905-R1091 VanDerWaalsContact CG-NH1 3.33Å; S1087-R1091 WeakPolarHBondContact O-CG 3.35Å; S1087-R1091 PolarHBondContact O-NE 3.35Å; S1087-R1091 PolarHBondContact OG-NH2 3.48Å; S1088-R1091 PolarHBondContact O-N 3.17Å; L1089-R1091 VanDerWaalsContact C-N 3.3Å; L1089-R1091 PolarHBondContact O-N 3.28Å; R1091-N1093 PolarHBondContact O-N 3.29Å; R1091-A1094 PolarHBondContact O-N 3.44Å; R1091-D1095 PolarHBondContact O-N 2.86Å |
| 1092 | M | 75.7 | Confident | 73.3 | Confident | 11 Ų | 11 | 56 Ų | 56 | 5% | 0.054 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.8 | -34.3 | 176 | -68.8 | -167.5 | -67.2 | 0 | 0 | 112.8 | P1030 A1033 L1089 L1090 L1102 K1105 A1108 Y1109 | P1030-M1092 HydrophobicContact CB-CG 3.9Å; P1030-M1092 HydrophobicContact CB-SD 3.91Å; A1033-M1092 HydrophobicContact CB-CE 4.41Å; A1033-M1092 HydrophobicContact CB-SD 3.58Å; A1033-M1092 VanDerWaalsContact CB-SD 3.58Å; L1089-M1092 HydrophobicContact CB-CE 4.23Å; L1089-M1092 HydrophobicContact CD2-CE 3.53Å; L1089-M1092 HydrophobicContact CD2-SD 4.17Å; L1089-M1092 HydrophobicContact CG-CE 4.49Å; L1089-M1092 VanDerWaalsContact O-CE 3.25Å; L1089-M1092 WeakPolarHBondContact O-CE 3.13Å; L1089-M1092 PolarHBondContact O-N 3.3Å; L1090-M1092 VanDerWaalsContact C-N 3.29Å; L1090-M1092 PolarHBondContact O-N 3.23Å; M1092-L1102 HydrophobicContact CB-CD2 3.86Å; M1092-L1102 HydrophobicContact CG-CD2 4.29Å; M1092-L1102 HydrophobicContact SD-CD2 3.93Å; M1092-K1105 HydrophobicContact CE-CG 3.76Å; M1092-A1108 HydrophobicContact CE-CB 4.46Å; M1092-Y1109 HydrophobicContact CE-CD1 4.11Å; M1092-Y1109 HydrophobicContact CE-CE1 3.35Å |
| 1093 | N | 64 | Low | 72.1 | Confident | 88 Ų | 88 | 62.8 Ų | 62.8 | 47% | 0.471 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -28.3 | 177.9 | -67.7 | -42.4 | 0 | 0 | 0 | 114 | R1091 K1105 | R1091-N1093 PolarHBondContact O-N 3.29Å; N1093-K1105 WeakPolarHBondContact OD1-CE 3.37Å; N1093-K1105 PolarHBondContact OD1-NZ 2.97Å |
| 1094 | A | 60.9 | Low | 71.3 | Confident | 81 Ų | 81 | 61.2 Ų | 61.2 | 67% | 0.669 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -22.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R1091 | R1091-A1094 PolarHBondContact O-N 3.44Š|
| 1095 | D | 55.6 | Low | 71 | Confident | 74 Ų | 74 | 62.5 Ų | 62.5 | 40% | 0.396 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -98.2 | -4.7 | -174 | -71.8 | -14 | 0 | 0 | 0 | 113.9 | R906 R1091 S1097 | R906-D1095 IonicContact CZ-OD1 2.8Å; R906-D1095 IonicContact NE-OD1 3.85Å; R906-D1095 PolarHBondContact NE-OD1 2.98Å; R906-D1095 IonicContact NE-OD2 3.63Å; R906-D1095 IonicContact NH2-OD1 2.73Å; R906-D1095 PolarHBondContact NH2-OD1 3.36Å; R1091-D1095 PolarHBondContact O-N 2.86Å; D1095-S1097 PolarHBondContact O-N 3.28Å |
| 1096 | A | 50.2 | Low | 70.6 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 34% | 0.339 | 34% | 0.342 | S | S | . | . | trans | -78.1 | 81.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1102 | A1096-L1102 HydrophobicContact CB-CD1 3.35Š| ||
| 1097 | S | 53.9 | Low | 70.4 | Confident | 121 Ų | 121 | 64.7 Ų | 64.7 | 85% | 0.846 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -70.2 | -25.8 | 158.7 | 55.1 | 0 | 0 | 0 | 0 | 111.8 | D1095 | D1095-S1097 PolarHBondContact O-N 3.28Š|
| 1098 | D | 52.8 | Low | 70.4 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 53% | 0.529 | 33% | 0.331 | S | S | . | . | trans | -113.9 | 100.5 | 176.5 | -102.7 | -35.2 | 0 | 0 | 0 | 111 | E1100 A1101 | D1098-E1100 PolarHBondContact O-N 3.47Å; D1098-A1101 HydrophobicContact CB-CB 3.77Å; D1098-A1101 PolarHBondContact O-N 2.84Å | ||
| 1099 | R | 54.2 | Low | 70.5 | Confident | 231 Ų | 231 | 62.7 Ų | 62.7 | 87% | 0.872 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -63.4 | -27.3 | 170.7 | -89 | -176.3 | 171 | -177.9 | -2.7 | 112.4 | A1101 | R1099-A1101 VanDerWaalsContact C-N 3.33Š|
| 1100 | E | 51.5 | Low | 70.5 | Confident | 172 Ų | 172 | 62.7 Ų | 62.7 | 80% | 0.804 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -68 | -31.4 | 176 | -74.3 | -174.9 | 165.4 | 0 | 0 | 112.4 | D1098 L1102 | D1098-E1100 PolarHBondContact O-N 3.47Å; E1100-L1102 VanDerWaalsContact C-N 3.27Å; E1100-L1102 PolarHBondContact O-N 3.31Å |
| 1101 | A | 55.5 | Low | 70.8 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -75.9 | -8.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1034 D1098 R1099 | H1034-A1101 PolarHBondContact ND1-O 3.16Å; D1098-A1101 HydrophobicContact CB-CB 3.77Å; D1098-A1101 PolarHBondContact O-N 2.84Å; R1099-A1101 VanDerWaalsContact C-N 3.33Å |
| 1102 | L | 64.2 | Low | 71.4 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | G | 310 helix | trans | -110.5 | 22.7 | -177.5 | -88.2 | 152.9 | 0 | 0 | 0 | 112.9 | A1033 M1092 A1096 E1100 N1104 K1105 | A1033-L1102 HydrophobicContact CB-CD2 4.04Å; M1092-L1102 HydrophobicContact CB-CD2 3.86Å; M1092-L1102 HydrophobicContact CG-CD2 4.29Å; M1092-L1102 HydrophobicContact SD-CD2 3.93Å; A1096-L1102 HydrophobicContact CB-CD1 3.35Å; E1100-L1102 VanDerWaalsContact C-N 3.27Å; E1100-L1102 PolarHBondContact O-N 3.31Å; L1102-N1104 PolarHBondContact O-N 3.41Å; L1102-K1105 HydrophobicContact CD2-CB 4.17Å; L1102-K1105 HydrophobicContact CD2-CG 4.4Å; L1102-K1105 VanDerWaalsContact O-CB 3.3Å; L1102-K1105 WeakPolarHBondContact O-CB 3.46Å; L1102-K1105 PolarHBondContact O-N 3.15Å; L1102-K1105 VanDerWaalsContact O-N 3.12Å |
| 1103 | R | 69 | Low | 72.3 | Confident | 144 Ų | 144 | 59.2 Ų | 59.2 | 54% | 0.543 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -28 | -175.2 | -179.1 | 178.4 | 147 | -164.6 | -6.8 | 114.7 | ||
| 1104 | N | 77 | Confident | 73.7 | Confident | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 24.1 | -176 | -59.6 | -33.3 | 0 | 0 | 0 | 113.4 | G1035 L1038 L1102 E1106 S1107 A1108 | G1035-N1104 PolarHBondContact O-ND2 3.2Å; L1038-N1104 HydrophobicContact CB-CB 3.85Å; L1038-N1104 HydrophobicContact CD2-CB 4.13Å; L1102-N1104 PolarHBondContact O-N 3.41Å; N1104-E1106 VanDerWaalsContact C-N 3.28Å; N1104-E1106 PolarHBondContact O-N 2.6Å; N1104-S1107 WeakPolarHBondContact O-CB 3.47Å; N1104-S1107 PolarHBondContact O-N 3.13Å; N1104-A1108 PolarHBondContact O-N 2.94Å |
| 1105 | K | 84.2 | Confident | 75.3 | Confident | 33 Ų | 33 | 52.2 Ų | 52.2 | 14% | 0.143 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.4 | -40.7 | 179.8 | 175.9 | -168.6 | 159.7 | -155.5 | 0 | 112.6 | A1033 M1092 N1093 L1102 A1108 Y1109 | A1033-K1105 HydrophobicContact CB-CB 4.45Å; M1092-K1105 HydrophobicContact CE-CG 3.76Å; N1093-K1105 WeakPolarHBondContact OD1-CE 3.37Å; N1093-K1105 PolarHBondContact OD1-NZ 2.97Å; L1102-K1105 HydrophobicContact CD2-CB 4.17Å; L1102-K1105 HydrophobicContact CD2-CG 4.4Å; L1102-K1105 VanDerWaalsContact O-CB 3.3Å; L1102-K1105 WeakPolarHBondContact O-CB 3.46Å; L1102-K1105 PolarHBondContact O-N 3.15Å; L1102-K1105 VanDerWaalsContact O-N 3.12Å; K1105-A1108 WeakPolarHBondContact O-CB 3.15Å; K1105-A1108 PolarHBondContact O-N 3.47Å; K1105-A1108 VanDerWaalsContact O-N 3.17Å; K1105-Y1109 HydrophobicContact CD-CE2 4.43Å; K1105-Y1109 WeakPolarHBondContact CE-OH 3.49Å; K1105-Y1109 HydrophobicContact CG-CE1 4.32Å; K1105-Y1109 HydrophobicContact CG-CE2 4.22Å; K1105-Y1109 PolarHBondContact O-N 2.89Å |
| 1106 | E | 86.6 | Confident | 77.2 | Confident | 47 Ų | 47 | 49.1 Ų | 49.1 | 22% | 0.22 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | -179.4 | -69.3 | 72.7 | -159.2 | 0 | 0 | 111 | N1104 A1108 Y1109 V1110 A1139 | N1104-E1106 VanDerWaalsContact C-N 3.28Å; N1104-E1106 PolarHBondContact O-N 2.6Å; E1106-A1108 VanDerWaalsContact C-N 3.29Å; E1106-A1108 PolarHBondContact O-N 3.48Å; E1106-Y1109 WeakPolarHBondContact O-CB 3.41Å; E1106-Y1109 PolarHBondContact O-N 3.09Å; E1106-V1110 PolarHBondContact O-N 3.27Å; E1106-A1139 HydrophobicContact CB-CB 3.87Å; E1106-A1139 HydrophobicContact CG-CB 4.28Å; E1106-A1139 WeakPolarHBondContact O-CB 3.21Å |
| 1107 | S | 87.8 | Confident | 79.2 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -37.5 | 173.7 | -62.9 | 0 | 0 | 0 | 0 | 112.7 | L1038 N1104 Y1109 V1110 I1111 | L1038-S1107 WeakPolarHBondContact O-CB 3.37Å; L1038-S1107 PolarHBondContact O-OG 3.38Å; N1104-S1107 WeakPolarHBondContact O-CB 3.47Å; N1104-S1107 PolarHBondContact O-N 3.13Å; S1107-Y1109 VanDerWaalsContact C-N 3.28Å; S1107-Y1109 PolarHBondContact O-N 3.3Å; S1107-V1110 WeakPolarHBondContact O-CB 3.4Å; S1107-V1110 PolarHBondContact O-N 2.96Å; S1107-I1111 WeakPolarHBondContact O-CG1 3.18Å; S1107-I1111 PolarHBondContact O-N 3.39Å |
| 1108 | A | 89.3 | Confident | 80.9 | Confident | 3 Ų | 3 | 51.8 Ų | 51.8 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.2 | -29.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1033 L1089 M1092 N1104 K1105 E1106 L1112 | A1033-A1108 HydrophobicContact CB-CB 4.27Å; L1089-A1108 HydrophobicContact CD2-CB 3.97Å; M1092-A1108 HydrophobicContact CE-CB 4.46Å; N1104-A1108 PolarHBondContact O-N 2.94Å; K1105-A1108 WeakPolarHBondContact O-CB 3.15Å; K1105-A1108 PolarHBondContact O-N 3.47Å; K1105-A1108 VanDerWaalsContact O-N 3.17Å; E1106-A1108 VanDerWaalsContact C-N 3.29Å; E1106-A1108 PolarHBondContact O-N 3.48Å; A1108-L1112 PolarHBondContact O-N 3.42Å |
| 1109 | Y | 91.7 | Very high | 82.9 | Confident | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.016 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.3 | -35.9 | 174 | -63.9 | -11.6 | 0 | 0 | 0 | 112.2 | L1089 M1092 K1105 E1106 S1107 L1112 E1113 F1131 L1135 A1139 | L1089-Y1109 HydrophobicContact CB-CD1 4.37Å; L1089-Y1109 HydrophobicContact CB-CE1 3.98Å; L1089-Y1109 PolarHBondContact O-OH 2.92Å; M1092-Y1109 HydrophobicContact CE-CD1 4.11Å; M1092-Y1109 HydrophobicContact CE-CE1 3.35Å; K1105-Y1109 HydrophobicContact CD-CE2 4.43Å; K1105-Y1109 WeakPolarHBondContact CE-OH 3.49Å; K1105-Y1109 HydrophobicContact CG-CE1 4.32Å; K1105-Y1109 HydrophobicContact CG-CE2 4.22Å; K1105-Y1109 PolarHBondContact O-N 2.89Å; E1106-Y1109 WeakPolarHBondContact O-CB 3.41Å; E1106-Y1109 PolarHBondContact O-N 3.09Å; S1107-Y1109 VanDerWaalsContact C-N 3.28Å; S1107-Y1109 PolarHBondContact O-N 3.3Å; Y1109-L1112 WeakPolarHBondContact O-CB 3.37Å; Y1109-L1112 PolarHBondContact O-N 3.45Å; Y1109-E1113 PolarHBondContact O-N 2.88Å; Y1109-F1131 HydrophobicContact CD1-CE1 4.38Å; Y1109-F1131 HydrophobicContact CD1-CE2 4.22Å; Y1109-F1131 AromaticContact CD1-CZ 3.51Å; Y1109-F1131 HydrophobicContact CD1-CZ 3.51Å; Y1109-F1131 HydrophobicContact CD2-CE1 4.38Å; Y1109-F1131 AromaticContact CD2-CZ 3.95Å; Y1109-F1131 HydrophobicContact CD2-CZ 3.95Å; Y1109-F1131 HydrophobicContact CE1-CE2 4.08Å; Y1109-F1131 AromaticContact CE1-CZ 3.62Å; Y1109-F1131 HydrophobicContact CE1-CZ 3.62Å; Y1109-F1131 HydrophobicContact CE2-CZ 4.04Å; Y1109-F1131 HydrophobicContact CG-CE1 4.16Å; Y1109-F1131 AromaticContact CG-CZ 3.67Å; Y1109-F1131 HydrophobicContact CG-CZ 3.67Å; Y1109-F1131 AromaticContact CZ-CZ 3.87Å; Y1109-L1135 HydrophobicContact CD2-CB 4.27Å; Y1109-L1135 HydrophobicContact CE2-CB 4.31Å; Y1109-A1139 HydrophobicContact CD2-CB 4.27Å |
| 1110 | V | 89.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.9 | -45.9 | 171.2 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | E1106 S1107 L1112 E1113 Q1114 A1139 Y1140 | E1106-V1110 PolarHBondContact O-N 3.27Å; S1107-V1110 WeakPolarHBondContact O-CB 3.4Å; S1107-V1110 PolarHBondContact O-N 2.96Å; V1110-L1112 VanDerWaalsContact C-N 3.3Å; V1110-L1112 PolarHBondContact O-N 3.28Å; V1110-E1113 PolarHBondContact O-N 3.3Å; V1110-E1113 VanDerWaalsContact O-N 3.15Å; V1110-Q1114 HydrophobicContact CG1-CG 4.34Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.42Å; V1110-Q1114 PolarHBondContact O-N 2.99Å; V1110-A1139 HydrophobicContact CG2-CB 4.22Å; V1110-Y1140 HydrophobicContact CG1-CD1 4.49Å; V1110-Y1140 HydrophobicContact CG1-CE1 3.77Å; V1110-Y1140 HydrophobicContact CG2-CD1 4.06Å; V1110-Y1140 HydrophobicContact CG2-CD2 4.32Å; V1110-Y1140 HydrophobicContact CG2-CE1 4.1Å; V1110-Y1140 HydrophobicContact CG2-CE2 4.32Å; V1110-Y1140 HydrophobicContact CG2-CG 4.18Å |
| 1111 | I | 92.3 | Very high | 86.5 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | 177.6 | -66.4 | 167.8 | 0 | 0 | 0 | 111.9 | L1032 L1038 S1107 E1113 Q1114 I1115 | L1032-I1111 HydrophobicContact CD1-CD1 4.01Å; L1032-I1111 HydrophobicContact CD1-CG2 4.49Å; L1038-I1111 HydrophobicContact CD1-CD1 4.39Å; L1038-I1111 HydrophobicContact CD2-CD1 4.37Å; S1107-I1111 WeakPolarHBondContact O-CG1 3.18Å; S1107-I1111 PolarHBondContact O-N 3.39Å; I1111-E1113 VanDerWaalsContact C-N 3.31Å; I1111-E1113 PolarHBondContact O-N 2.97Å; I1111-Q1114 PolarHBondContact O-N 3.46Å; I1111-I1115 HydrophobicContact CG2-CD1 4.08Å; I1111-I1115 HydrophobicContact CG2-CG1 4.41Å; I1111-I1115 VanDerWaalsContact O-CG1 3.23Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.28Å; I1111-I1115 PolarHBondContact O-N 2.97Å |
| 1112 | L | 94.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.9 | -42.4 | 176.2 | -177.8 | 67.5 | 0 | 0 | 0 | 111.9 | L1082 A1085 L1089 A1108 Y1109 V1110 I1115 V1116 L1127 F1131 | L1082-L1112 HydrophobicContact CD1-CD1 3.89Å; A1085-L1112 HydrophobicContact CB-CD1 3.89Å; L1089-L1112 HydrophobicContact CD1-CB 3.8Å; L1089-L1112 HydrophobicContact CD1-CD1 3.94Å; L1089-L1112 HydrophobicContact CD1-CD2 3.8Å; L1089-L1112 HydrophobicContact CD1-CG 4.04Å; A1108-L1112 PolarHBondContact O-N 3.42Å; Y1109-L1112 WeakPolarHBondContact O-CB 3.37Å; Y1109-L1112 PolarHBondContact O-N 3.45Å; V1110-L1112 VanDerWaalsContact C-N 3.3Å; V1110-L1112 PolarHBondContact O-N 3.28Å; L1112-I1115 PolarHBondContact O-N 2.92Å; L1112-V1116 PolarHBondContact O-N 3.31Å; L1112-L1127 HydrophobicContact CD2-CD1 3.91Å; L1112-L1127 HydrophobicContact CG-CD1 4.04Å; L1112-F1131 HydrophobicContact CD2-CB 4.13Å; L1112-F1131 HydrophobicContact CD2-CD1 4.04Å; L1112-F1131 HydrophobicContact CD2-CD2 3.61Å; L1112-F1131 HydrophobicContact CD2-CE1 4.36Å; L1112-F1131 HydrophobicContact CD2-CE2 3.97Å; L1112-F1131 HydrophobicContact CD2-CG 3.65Å; L1112-F1131 HydrophobicContact CD2-CZ 4.33Å |
| 1113 | E | 93.6 | Very high | 89.6 | Confident | 33 Ų | 33 | 34.3 Ų | 34.3 | 15% | 0.154 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.4 | -41.8 | 177.7 | -175.4 | -98.5 | -150.2 | 0 | 0 | 111.4 | Y1109 V1110 I1111 I1115 V1116 E1117 L1127 V1136 Y1140 | Y1109-E1113 PolarHBondContact O-N 2.88Å; V1110-E1113 PolarHBondContact O-N 3.3Å; V1110-E1113 VanDerWaalsContact O-N 3.15Å; I1111-E1113 VanDerWaalsContact C-N 3.31Å; I1111-E1113 PolarHBondContact O-N 2.97Å; E1113-I1115 VanDerWaalsContact C-N 3.25Å; E1113-I1115 PolarHBondContact O-N 3.45Å; E1113-V1116 CarbonylContact O-C 3.41Å; E1113-V1116 WeakPolarHBondContact O-CA 3.35Å; E1113-V1116 WeakPolarHBondContact O-CB 3.43Å; E1113-V1116 PolarHBondContact O-N 3.33Å; E1113-E1117 PolarHBondContact O-N 2.87Å; E1113-L1127 HydrophobicContact CB-CD2 4.04Å; E1113-L1127 HydrophobicContact CG-CD2 3.94Å; E1113-V1136 HydrophobicContact CB-CG1 3.77Å; E1113-V1136 HydrophobicContact CG-CG1 3.95Å; E1113-Y1140 PolarHBondContact OE2-OH 3.08Å |
| 1114 | Q | 93 | Very high | 90.6 | Very high | 22 Ų | 22 | 30.4 Ų | 30.4 | 10% | 0.103 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.5 | -36.1 | 173.9 | -70.6 | 176.7 | -22.8 | 0 | 0 | 112.4 | A1055 V1110 I1111 V1116 E1117 Q1118 | A1055-Q1114 HydrophobicContact CB-CB 4.18Å; A1055-Q1114 WeakPolarHBondContact CB-O 3.34Å; V1110-Q1114 HydrophobicContact CG1-CG 4.34Å; V1110-Q1114 WeakPolarHBondContact O-CG 3.42Å; V1110-Q1114 PolarHBondContact O-N 2.99Å; I1111-Q1114 PolarHBondContact O-N 3.46Å; Q1114-V1116 PolarHBondContact O-N 3.46Å; Q1114-E1117 PolarHBondContact O-N 3.24Å; Q1114-Q1118 WeakPolarHBondContact O-CB 3.41Å; Q1114-Q1118 VanDerWaalsContact O-CG 3.25Å; Q1114-Q1118 WeakPolarHBondContact O-CG 3.48Å; Q1114-Q1118 PolarHBondContact O-N 2.9Å |
| 1115 | I | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.4 | -38.5 | 173.1 | -70 | 161.3 | 0 | 0 | 0 | 110.9 | L1029 A1055 I1058 F1081 I1111 L1112 E1113 S1119 L1122 | L1029-I1115 HydrophobicContact CD1-CD1 3.85Å; L1029-I1115 HydrophobicContact CD2-CD1 4.41Å; A1055-I1115 HydrophobicContact CB-CB 4.45Å; A1055-I1115 HydrophobicContact CB-CG1 4Å; I1058-I1115 HydrophobicContact CD1-CD1 3.72Å; I1058-I1115 HydrophobicContact CD1-CG1 3.97Å; I1058-I1115 HydrophobicContact CD1-CG2 4.34Å; I1058-I1115 HydrophobicContact CG2-CG2 4.45Å; F1081-I1115 HydrophobicContact CE1-CG2 3.88Å; F1081-I1115 HydrophobicContact CZ-CD1 4.43Å; F1081-I1115 HydrophobicContact CZ-CG2 4.48Å; I1111-I1115 HydrophobicContact CG2-CD1 4.08Å; I1111-I1115 HydrophobicContact CG2-CG1 4.41Å; I1111-I1115 VanDerWaalsContact O-CG1 3.23Å; I1111-I1115 WeakPolarHBondContact O-CG1 3.28Å; I1111-I1115 PolarHBondContact O-N 2.97Å; L1112-I1115 PolarHBondContact O-N 2.92Å; E1113-I1115 VanDerWaalsContact C-N 3.25Å; E1113-I1115 PolarHBondContact O-N 3.45Å; I1115-S1119 WeakPolarHBondContact O-CB 3.32Å; I1115-S1119 PolarHBondContact O-N 3.1Å; I1115-L1122 HydrophobicContact CG2-CD1 4.39Å |
| 1116 | V | 95.1 | Very high | 91.6 | Very high | 9 Ų | 9 | 36.4 Ų | 36.4 | 6% | 0.055 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -74.8 | -44.4 | 178.8 | 176.3 | 0 | 0 | 0 | 0 | 110.7 | L1082 L1112 E1113 Q1114 Q1118 S1119 L1122 T1123 L1127 | L1082-V1116 HydrophobicContact CD1-CG2 3.83Å; L1082-V1116 HydrophobicContact CD2-CG2 4.12Å; L1112-V1116 PolarHBondContact O-N 3.31Å; E1113-V1116 CarbonylContact O-C 3.41Å; E1113-V1116 WeakPolarHBondContact O-CA 3.35Å; E1113-V1116 WeakPolarHBondContact O-CB 3.43Å; E1113-V1116 PolarHBondContact O-N 3.33Å; Q1114-V1116 PolarHBondContact O-N 3.46Å; V1116-Q1118 VanDerWaalsContact C-N 3.33Å; V1116-Q1118 PolarHBondContact O-N 3Å; V1116-S1119 PolarHBondContact O-N 3.26Å; V1116-L1122 HydrophobicContact CB-CB 4.49Å; V1116-L1122 HydrophobicContact CG1-CB 4.08Å; V1116-L1122 HydrophobicContact CG2-CB 4.42Å; V1116-L1122 HydrophobicContact CG2-CD1 4.11Å; V1116-T1123 WeakPolarHBondContact CG1-O 3.39Å; V1116-L1127 HydrophobicContact CB-CD2 4.39Å; V1116-L1127 HydrophobicContact CG1-CB 4.29Å; V1116-L1127 HydrophobicContact CG2-CB 4.1Å; V1116-L1127 HydrophobicContact CG2-CD1 4.18Å; V1116-L1127 HydrophobicContact CG2-CD2 4.17Å; V1116-L1127 HydrophobicContact CG2-CG 4.37Å |
| 1117 | E | 92.2 | Very high | 91.9 | Very high | 124 Ų | 124 | 34.7 Ų | 34.7 | 58% | 0.579 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -60.8 | -39.7 | 178.2 | -69 | -164.6 | 139.6 | 0 | 0 | 113 | E1113 Q1114 S1119 | E1113-E1117 PolarHBondContact O-N 2.87Å; Q1114-E1117 PolarHBondContact O-N 3.24Å; E1117-S1119 VanDerWaalsContact C-N 3.29Å; E1117-S1119 PolarHBondContact O-N 3.07Å |
| 1118 | Q | 91 | Very high | 92 | Very high | 94 Ų | 94 | 39.9 Ų | 39.9 | 44% | 0.439 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 5.7 | -178.7 | -60.5 | -65.5 | -45.4 | 0 | 0 | 113.1 | A1055 K1056 S1059 Q1114 V1116 | A1055-Q1118 HydrophobicContact CB-CB 4.04Å; A1055-Q1118 HydrophobicContact CB-CG 4.01Å; K1056-Q1118 HydrophobicContact CG-CB 4.47Å; K1056-Q1118 HydrophobicContact CG-CG 4.47Å; S1059-Q1118 PolarHBondContact OG-O 3.4Å; S1059-Q1118 VanDerWaalsContact OG-O 3.06Å; Q1114-Q1118 WeakPolarHBondContact O-CB 3.41Å; Q1114-Q1118 VanDerWaalsContact O-CG 3.25Å; Q1114-Q1118 WeakPolarHBondContact O-CG 3.48Å; Q1114-Q1118 PolarHBondContact O-N 2.9Å; V1116-Q1118 VanDerWaalsContact C-N 3.33Å; V1116-Q1118 PolarHBondContact O-N 3Å |
| 1119 | S | 93 | Very high | 92 | Very high | 9 Ų | 9 | 43.8 Ų | 43.8 | 6% | 0.063 | 24% | 0.244 | C | C | . | . | trans | -107.7 | 123.6 | -177.9 | -167.2 | 0 | 0 | 0 | 0 | 112.4 | S1059 I1115 V1116 E1117 F1121 | S1059-S1119 VanDerWaalsContact OG-CA 3.24Å; S1059-S1119 WeakPolarHBondContact OG-CA 3.47Å; S1059-S1119 WeakPolarHBondContact OG-CB 3.46Å; S1059-S1119 PolarHBondContact OG-OG 3.38Å; I1115-S1119 WeakPolarHBondContact O-CB 3.32Å; I1115-S1119 PolarHBondContact O-N 3.1Å; V1116-S1119 PolarHBondContact O-N 3.26Å; E1117-S1119 VanDerWaalsContact C-N 3.29Å; E1117-S1119 PolarHBondContact O-N 3.07Å; S1119-F1121 PolarHBondContact O-N 3.33Å; S1119-F1121 PolarHBondContact OG-N 3.32Å | ||
| 1120 | P | 89.6 | Confident | 91.9 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 51% | 0.506 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -7.6 | 170.3 | 31.5 | -34.9 | 0 | 0 | 0 | 112.6 | I993 | I993-P1120 HydrophobicContact CG2-CB 4.34Å; I993-P1120 HydrophobicContact CG2-CG 4.04Å |
| 1121 | F | 91.5 | Very high | 91.9 | Very high | 23 Ų | 23 | 45.7 Ų | 45.7 | 10% | 0.101 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -10.3 | -174.8 | -48.3 | -63.5 | 0 | 0 | 0 | 113.6 | I993 V1074 V1075 M1078 S1119 | I993-F1121 HydrophobicContact CG2-CE1 3.59Å; I993-F1121 HydrophobicContact CG2-CZ 3.72Å; V1074-F1121 HydrophobicContact CB-CD1 4.33Å; V1074-F1121 HydrophobicContact CB-CE1 4.31Å; V1074-F1121 HydrophobicContact CG1-CD1 3.84Å; V1074-F1121 HydrophobicContact CG1-CD2 4.04Å; V1074-F1121 HydrophobicContact CG1-CE1 3.76Å; V1074-F1121 HydrophobicContact CG1-CE2 3.96Å; V1074-F1121 HydrophobicContact CG1-CG 3.98Å; V1074-F1121 HydrophobicContact CG1-CZ 3.83Å; V1075-F1121 HydrophobicContact CG2-CB 4.36Å; V1075-F1121 HydrophobicContact CG2-CD1 4.22Å; M1078-F1121 HydrophobicContact CB-CB 3.97Å; M1078-F1121 HydrophobicContact CG-CB 3.82Å; M1078-F1121 HydrophobicContact CG-CD2 4.08Å; M1078-F1121 HydrophobicContact CG-CG 4.21Å; S1119-F1121 PolarHBondContact O-N 3.33Å; S1119-F1121 PolarHBondContact OG-N 3.32Å |
| 1122 | L | 93.8 | Very high | 91.8 | Very high | 10 Ų | 10 | 48.8 Ų | 48.8 | 5% | 0.052 | 28% | 0.277 | C | S | . | . | trans | -121.5 | 156.1 | -177.5 | -60.9 | 176.5 | 0 | 0 | 0 | 110 | M1078 L1082 I1115 V1116 L1126 | M1078-L1122 HydrophobicContact CB-CD2 3.79Å; M1078-L1122 HydrophobicContact CB-CG 4.18Å; M1078-L1122 HydrophobicContact CE-CD1 3.72Å; M1078-L1122 HydrophobicContact CE-CG 4.07Å; L1082-L1122 HydrophobicContact CB-CD1 4.38Å; L1082-L1122 HydrophobicContact CB-CD2 4.19Å; L1082-L1122 HydrophobicContact CD2-CD1 4.32Å; L1082-L1122 HydrophobicContact CD2-CD2 4.02Å; I1115-L1122 HydrophobicContact CG2-CD1 4.39Å; V1116-L1122 HydrophobicContact CB-CB 4.49Å; V1116-L1122 HydrophobicContact CG1-CB 4.08Å; V1116-L1122 HydrophobicContact CG2-CB 4.42Å; V1116-L1122 HydrophobicContact CG2-CD1 4.11Å; L1122-L1126 HydrophobicContact CD2-CD2 3.63Å | ||
| 1123 | T | 92.2 | Very high | 91.5 | Very high | 78 Ų | 78 | 54.8 Ų | 54.8 | 48% | 0.479 | 30% | 0.301 | S | S | . | . | trans | -131.7 | 155.3 | 178.3 | 62.3 | 0 | 0 | 0 | 0 | 110.4 | V1116 D1125 L1126 L1127 | V1116-T1123 WeakPolarHBondContact CG1-O 3.39Å; T1123-D1125 VanDerWaalsContact C-N 3.28Å; T1123-D1125 PolarHBondContact O-N 2.9Å; T1123-L1126 WeakPolarHBondContact O-CB 3.38Å; T1123-L1126 PolarHBondContact O-N 2.87Å; T1123-L1126 VanDerWaalsContact O-N 3.1Å; T1123-L1127 PolarHBondContact O-N 3.4Å; T1123-L1127 VanDerWaalsContact O-N 3.16Å | ||
| 1124 | A | 89.7 | Confident | 91.3 | Very high | 63 Ų | 63 | 58 Ų | 58 | 52% | 0.521 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.7 | -40.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1126 L1127 E1128 | A1124-L1126 PolarHBondContact O-N 2.89Å; A1124-L1127 WeakPolarHBondContact O-CA 3.42Å; A1124-L1127 WeakPolarHBondContact O-CB 3.31Å; A1124-L1127 PolarHBondContact O-N 2.89Å; A1124-E1128 PolarHBondContact O-N 2.73Å |
| 1125 | D | 90.8 | Very high | 91.1 | Very high | 129 Ų | 129 | 59.2 Ų | 59.2 | 69% | 0.69 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -56.2 | -38.9 | 176 | -60.8 | -30.2 | 0 | 0 | 0 | 112.4 | T1123 S1129 | T1123-D1125 VanDerWaalsContact C-N 3.28Å; T1123-D1125 PolarHBondContact O-N 2.9Å; D1125-S1129 PolarHBondContact O-N 2.86Å |
| 1126 | L | 91.2 | Very high | 90.7 | Very high | 36 Ų | 36 | 59.4 Ų | 59.4 | 19% | 0.188 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.9 | -38.6 | 178.1 | -177.5 | 72.1 | 0 | 0 | 0 | 111.2 | K1079 L1082 L1122 T1123 A1124 S1129 | K1079-L1126 HydrophobicContact CB-CD2 4.41Å; K1079-L1126 HydrophobicContact CD-CD2 4.48Å; K1079-L1126 HydrophobicContact CG-CD1 4.17Å; K1079-L1126 HydrophobicContact CG-CD2 3.5Å; K1079-L1126 VanDerWaalsContact CG-CD2 3.5Å; K1079-L1126 HydrophobicContact CG-CG 4.47Å; L1082-L1126 HydrophobicContact CD2-CB 4.43Å; L1082-L1126 HydrophobicContact CD2-CD2 3.76Å; L1082-L1126 HydrophobicContact CD2-CG 3.83Å; L1122-L1126 HydrophobicContact CD2-CD2 3.63Å; T1123-L1126 WeakPolarHBondContact O-CB 3.38Å; T1123-L1126 PolarHBondContact O-N 2.87Å; T1123-L1126 VanDerWaalsContact O-N 3.1Å; A1124-L1126 PolarHBondContact O-N 2.89Å; L1126-S1129 PolarHBondContact O-N 3.41Å; L1126-S1129 PolarHBondContact O-OG 3.49Å |
| 1127 | L | 92.6 | Very high | 90.4 | Very high | 12 Ų | 12 | 66.1 Ų | 66.1 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -59.4 | -48.8 | 173 | 178.4 | 61.9 | 0 | 0 | 0 | 110.9 | L1082 L1112 E1113 V1116 T1123 A1124 S1129 C1130 F1131 | L1082-L1127 HydrophobicContact CD1-CD1 4.02Å; L1112-L1127 HydrophobicContact CD2-CD1 3.91Å; L1112-L1127 HydrophobicContact CG-CD1 4.04Å; E1113-L1127 HydrophobicContact CB-CD2 4.04Å; E1113-L1127 HydrophobicContact CG-CD2 3.94Å; V1116-L1127 HydrophobicContact CB-CD2 4.39Å; V1116-L1127 HydrophobicContact CG1-CB 4.29Å; V1116-L1127 HydrophobicContact CG2-CB 4.1Å; V1116-L1127 HydrophobicContact CG2-CD1 4.18Å; V1116-L1127 HydrophobicContact CG2-CD2 4.17Å; V1116-L1127 HydrophobicContact CG2-CG 4.37Å; T1123-L1127 PolarHBondContact O-N 3.4Å; T1123-L1127 VanDerWaalsContact O-N 3.16Å; A1124-L1127 WeakPolarHBondContact O-CA 3.42Å; A1124-L1127 WeakPolarHBondContact O-CB 3.31Å; A1124-L1127 PolarHBondContact O-N 2.89Å; L1127-S1129 PolarHBondContact O-N 3.11Å; L1127-C1130 PolarHBondContact O-N 2.81Å; L1127-F1131 HydrophobicContact CD1-CB 3.75Å; L1127-F1131 HydrophobicContact CD1-CG 4.48Å; L1127-F1131 HydrophobicContact CG-CB 4.46Å; L1127-F1131 PolarHBondContact O-N 2.97Å |
| 1128 | E | 89.8 | Confident | 90.2 | Very high | 109 Ų | 109 | 64 Ų | 64 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.6 | -32 | 179.7 | -67.9 | -168.5 | 171.6 | 0 | 0 | 112.8 | A1124 C1130 | A1124-E1128 PolarHBondContact O-N 2.73Å; E1128-C1130 VanDerWaalsContact C-N 3.26Å; E1128-C1130 PolarHBondContact O-N 3.32Å |
| 1129 | S | 90.3 | Very high | 90.1 | Very high | 85 Ų | 85 | 59.5 Ų | 59.5 | 59% | 0.594 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -66.9 | -24.5 | 176.3 | 79.6 | 0 | 0 | 0 | 0 | 114 | D1125 L1126 L1127 | D1125-S1129 PolarHBondContact O-N 2.86Å; L1126-S1129 PolarHBondContact O-N 3.41Å; L1126-S1129 PolarHBondContact O-OG 3.49Å; L1127-S1129 PolarHBondContact O-N 3.11Å |
| 1130 | C | 89.7 | Confident | 89.8 | Confident | 44 Ų | 44 | 61.4 Ų | 61.4 | 30% | 0.297 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -115.3 | -22.5 | -173.9 | -62.6 | 0 | 0 | 0 | 0 | 113.5 | L1127 E1128 | L1127-C1130 PolarHBondContact O-N 2.81Å; E1128-C1130 VanDerWaalsContact C-N 3.26Å; E1128-C1130 PolarHBondContact O-N 3.32Å |
| 1131 | F | 90.2 | Very high | 89.7 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 0% | 0.004 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -141.2 | 118.9 | -173.9 | -161 | -93.9 | 0 | 0 | 0 | 110.5 | L1089 L1090 Y1109 L1112 L1127 Y1133 L1135 V1136 | L1089-F1131 HydrophobicContact CB-CE2 4.16Å; L1090-F1131 HydrophobicContact CD1-CD2 4.3Å; L1090-F1131 HydrophobicContact CD2-CD2 4.05Å; L1090-F1131 HydrophobicContact CD2-CE2 3.73Å; L1090-F1131 HydrophobicContact CD2-CZ 4.38Å; L1090-F1131 HydrophobicContact CG-CD2 3.88Å; L1090-F1131 HydrophobicContact CG-CE2 3.78Å; Y1109-F1131 HydrophobicContact CD1-CE1 4.38Å; Y1109-F1131 HydrophobicContact CD1-CE2 4.22Å; Y1109-F1131 AromaticContact CD1-CZ 3.51Å; Y1109-F1131 HydrophobicContact CD1-CZ 3.51Å; Y1109-F1131 HydrophobicContact CD2-CE1 4.38Å; Y1109-F1131 AromaticContact CD2-CZ 3.95Å; Y1109-F1131 HydrophobicContact CD2-CZ 3.95Å; Y1109-F1131 HydrophobicContact CE1-CE2 4.08Å; Y1109-F1131 AromaticContact CE1-CZ 3.62Å; Y1109-F1131 HydrophobicContact CE1-CZ 3.62Å; Y1109-F1131 HydrophobicContact CE2-CZ 4.04Å; Y1109-F1131 HydrophobicContact CG-CE1 4.16Å; Y1109-F1131 AromaticContact CG-CZ 3.67Å; Y1109-F1131 HydrophobicContact CG-CZ 3.67Å; Y1109-F1131 AromaticContact CZ-CZ 3.87Å; L1112-F1131 HydrophobicContact CD2-CB 4.13Å; L1112-F1131 HydrophobicContact CD2-CD1 4.04Å; L1112-F1131 HydrophobicContact CD2-CD2 3.61Å; L1112-F1131 HydrophobicContact CD2-CE1 4.36Å; L1112-F1131 HydrophobicContact CD2-CE2 3.97Å; L1112-F1131 HydrophobicContact CD2-CG 3.65Å; L1112-F1131 HydrophobicContact CD2-CZ 4.33Å; L1127-F1131 HydrophobicContact CD1-CB 3.75Å; L1127-F1131 HydrophobicContact CD1-CG 4.48Å; L1127-F1131 HydrophobicContact CG-CB 4.46Å; L1127-F1131 PolarHBondContact O-N 2.97Å; F1131-Y1133 PolarHBondContact O-N 3.22Å; F1131-L1135 HydrophobicContact CE1-CB 3.7Å; F1131-L1135 HydrophobicContact CE1-CD1 4.13Å; F1131-L1135 HydrophobicContact CE2-CD1 4.48Å; F1131-L1135 HydrophobicContact CZ-CB 4.15Å; F1131-L1135 HydrophobicContact CZ-CD1 3.97Å; F1131-V1136 HydrophobicContact CD1-CG2 3.69Å; F1131-V1136 HydrophobicContact CE1-CG2 3.73Å |
| 1132 | P | 89.9 | Confident | 89.4 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | trans | -60.3 | 121.2 | -175.6 | -23.3 | 31.5 | 0 | 0 | 0 | 112.9 | N1134 L1135 | P1132-N1134 PolarHBondContact O-N 3.19Å; P1132-N1134 VanDerWaalsContact O-N 3.09Å; P1132-L1135 HydrophobicContact CB-CD1 4.27Å; P1132-L1135 HydrophobicContact CB-CG 4.2Å; P1132-L1135 HydrophobicContact CG-CD1 4.11Å; P1132-L1135 WeakPolarHBondContact O-CB 3.25Å; P1132-L1135 PolarHBondContact O-N 2.95Å | ||
| 1133 | Y | 87.3 | Confident | 88.9 | Confident | 126 Ų | 126 | 65.8 Ų | 65.8 | 49% | 0.494 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -52.1 | -36.2 | 179.9 | -179.6 | -105.3 | 0 | 0 | 0 | 113.7 | F1131 L1135 V1136 R1137 | F1131-Y1133 PolarHBondContact O-N 3.22Å; Y1133-L1135 PolarHBondContact O-N 3.39Å; Y1133-V1136 PolarHBondContact O-N 3.27Å; Y1133-R1137 HydrophobicContact CE1-CB 4.31Å; Y1133-R1137 PolarHBondContact O-N 2.79Å |
| 1134 | N | 88.2 | Confident | 88.5 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 54% | 0.535 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.4 | -31.6 | 176.8 | -68.3 | -31.5 | 0 | 0 | 0 | 113.2 | P1132 N1138 | P1132-N1134 PolarHBondContact O-N 3.19Å; P1132-N1134 VanDerWaalsContact O-N 3.09Å; N1134-N1138 VanDerWaalsContact O-CB 3.26Å; N1134-N1138 WeakPolarHBondContact O-CB 3.3Å; N1134-N1138 PolarHBondContact O-N 3.47Å; N1134-N1138 PolarHBondContact O-ND2 2.71Å |
| 1135 | L | 89.7 | Confident | 88.1 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.8 | -41.5 | 176.8 | -65.1 | 178.9 | 0 | 0 | 0 | 111.3 | L1090 Y1109 F1131 P1132 Y1133 A1139 | L1090-L1135 HydrophobicContact CD2-CD1 3.52Å; Y1109-L1135 HydrophobicContact CD2-CB 4.27Å; Y1109-L1135 HydrophobicContact CE2-CB 4.31Å; F1131-L1135 HydrophobicContact CE1-CB 3.7Å; F1131-L1135 HydrophobicContact CE1-CD1 4.13Å; F1131-L1135 HydrophobicContact CE2-CD1 4.48Å; F1131-L1135 HydrophobicContact CZ-CB 4.15Å; F1131-L1135 HydrophobicContact CZ-CD1 3.97Å; P1132-L1135 HydrophobicContact CB-CD1 4.27Å; P1132-L1135 HydrophobicContact CB-CG 4.2Å; P1132-L1135 HydrophobicContact CG-CD1 4.11Å; P1132-L1135 WeakPolarHBondContact O-CB 3.25Å; P1132-L1135 PolarHBondContact O-N 2.95Å; Y1133-L1135 PolarHBondContact O-N 3.39Å; L1135-A1139 VanDerWaalsContact O-CB 3.25Å; L1135-A1139 WeakPolarHBondContact O-CB 3.26Å; L1135-A1139 PolarHBondContact O-N 3.37Å |
| 1136 | V | 87 | Confident | 87.4 | Confident | 4 Ų | 4 | 65.2 Ų | 65.2 | 2% | 0.024 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.7 | -49.2 | 176.2 | -179 | 0 | 0 | 0 | 0 | 110.2 | E1113 F1131 Y1133 N1138 A1139 Y1140 | E1113-V1136 HydrophobicContact CB-CG1 3.77Å; E1113-V1136 HydrophobicContact CG-CG1 3.95Å; F1131-V1136 HydrophobicContact CD1-CG2 3.69Å; F1131-V1136 HydrophobicContact CE1-CG2 3.73Å; Y1133-V1136 PolarHBondContact O-N 3.27Å; V1136-N1138 VanDerWaalsContact C-N 3.31Å; V1136-N1138 PolarHBondContact O-N 2.83Å; V1136-A1139 WeakPolarHBondContact O-CB 3.47Å; V1136-A1139 PolarHBondContact O-N 3.49Å; V1136-Y1140 HydrophobicContact CG1-CD2 3.97Å; V1136-Y1140 HydrophobicContact CG1-CE2 3.78Å; V1136-Y1140 WeakPolarHBondContact O-CD2 3.31Å; V1136-Y1140 PolarHBondContact O-N 2.94Å |
| 1137 | R | 88 | Confident | 86.4 | Confident | 149 Ų | 149 | 64.6 Ų | 64.6 | 56% | 0.562 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -59.2 | -42.4 | 178.6 | -164.5 | -175.6 | 83.1 | 175.6 | 4.6 | 112.4 | Y1133 A1139 R1141 | Y1133-R1137 HydrophobicContact CE1-CB 4.31Å; Y1133-R1137 PolarHBondContact O-N 2.79Å; R1137-A1139 VanDerWaalsContact C-N 3.35Å; R1137-R1141 PolarHBondContact O-N 3.39Å |
| 1138 | N | 88.8 | Confident | 85.2 | Confident | 79 Ų | 79 | 71 Ų | 71 | 42% | 0.422 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.4 | -36.2 | 176 | -73 | -17.2 | 0 | 0 | 0 | 111.7 | N1134 V1136 R1141 S1142 | N1134-N1138 VanDerWaalsContact O-CB 3.26Å; N1134-N1138 WeakPolarHBondContact O-CB 3.3Å; N1134-N1138 PolarHBondContact O-N 3.47Å; N1134-N1138 PolarHBondContact O-ND2 2.71Å; V1136-N1138 VanDerWaalsContact C-N 3.31Å; V1136-N1138 PolarHBondContact O-N 2.83Å; N1138-R1141 PolarHBondContact O-N 3.2Å; N1138-S1142 WeakPolarHBondContact O-CB 3.31Å; N1138-S1142 PolarHBondContact O-N 3.26Å; N1138-S1142 PolarHBondContact O-OG 3.12Å |
| 1139 | A | 88.7 | Confident | 84 | Confident | 1 Ų | 1 | 69 Ų | 69 | 1% | 0.008 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.9 | -49.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E1106 Y1109 V1110 L1135 V1136 R1137 R1141 S1142 C1143 | E1106-A1139 HydrophobicContact CB-CB 3.87Å; E1106-A1139 HydrophobicContact CG-CB 4.28Å; E1106-A1139 WeakPolarHBondContact O-CB 3.21Å; Y1109-A1139 HydrophobicContact CD2-CB 4.27Å; V1110-A1139 HydrophobicContact CG2-CB 4.22Å; L1135-A1139 VanDerWaalsContact O-CB 3.25Å; L1135-A1139 WeakPolarHBondContact O-CB 3.26Å; L1135-A1139 PolarHBondContact O-N 3.37Å; V1136-A1139 WeakPolarHBondContact O-CB 3.47Å; V1136-A1139 PolarHBondContact O-N 3.49Å; R1137-A1139 VanDerWaalsContact C-N 3.35Å; A1139-R1141 VanDerWaalsContact C-N 3.34Å; A1139-R1141 PolarHBondContact O-N 2.87Å; A1139-S1142 PolarHBondContact O-N 3.47Å; A1139-C1143 WeakPolarHBondContact O-CB 3.42Å; A1139-C1143 PolarHBondContact O-N 2.95Å; A1139-C1143 PolarHBondContact O-SG 2.94Å |
| 1140 | Y | 87.1 | Confident | 82.4 | Confident | 49 Ų | 49 | 69.6 Ų | 69.6 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.4 | -52.3 | 172.5 | -83.9 | -72.3 | 0 | 0 | 0 | 111.2 | V1110 E1113 V1136 S1142 C1143 Y1144 | V1110-Y1140 HydrophobicContact CG1-CD1 4.49Å; V1110-Y1140 HydrophobicContact CG1-CE1 3.77Å; V1110-Y1140 HydrophobicContact CG2-CD1 4.06Å; V1110-Y1140 HydrophobicContact CG2-CD2 4.32Å; V1110-Y1140 HydrophobicContact CG2-CE1 4.1Å; V1110-Y1140 HydrophobicContact CG2-CE2 4.32Å; V1110-Y1140 HydrophobicContact CG2-CG 4.18Å; E1113-Y1140 PolarHBondContact OE2-OH 3.08Å; V1136-Y1140 HydrophobicContact CG1-CD2 3.97Å; V1136-Y1140 HydrophobicContact CG1-CE2 3.78Å; V1136-Y1140 WeakPolarHBondContact O-CD2 3.31Å; V1136-Y1140 PolarHBondContact O-N 2.94Å; Y1140-S1142 VanDerWaalsContact C-N 3.3Å; Y1140-S1142 PolarHBondContact O-N 2.99Å; Y1140-C1143 PolarHBondContact O-N 3.34Å; Y1140-C1143 VanDerWaalsContact O-N 3.15Å; Y1140-Y1144 AromaticContact CD1-CE2 3.94Å; Y1140-Y1144 HydrophobicContact CD1-CE2 3.94Å; Y1140-Y1144 WeakPolarHBondContact O-CD2 3.46Å; Y1140-Y1144 PolarHBondContact O-N 3.04Å |
| 1141 | R | 86.8 | Confident | 80.8 | Confident | 161 Ų | 161 | 70.6 Ų | 70.6 | 61% | 0.608 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -54 | -46.9 | 179.4 | -178.2 | 179.6 | 173.9 | 172.3 | 1.2 | 112 | R1137 N1138 A1139 Y1144 E1145 | R1137-R1141 PolarHBondContact O-N 3.39Å; N1138-R1141 PolarHBondContact O-N 3.2Å; A1139-R1141 VanDerWaalsContact C-N 3.34Å; A1139-R1141 PolarHBondContact O-N 2.87Å; R1141-Y1144 PolarHBondContact O-N 3.35Å; R1141-E1145 HydrophobicContact CG-CG 4.41Å; R1141-E1145 IonicContact CZ-OE1 3.11Å; R1141-E1145 IonicContact NE-OE1 3.71Å; R1141-E1145 PolarHBondContact NE-OE1 3.22Å; R1141-E1145 IonicContact NH2-OE1 2.94Å; R1141-E1145 PolarHBondContact NH2-OE1 2.75Å; R1141-E1145 WeakPolarHBondContact O-CB 3.35Å; R1141-E1145 WeakPolarHBondContact O-CG 3.47Å; R1141-E1145 PolarHBondContact O-N 2.88Å |
| 1142 | S | 84.9 | Confident | 78.9 | Confident | 40 Ų | 40 | 76.4 Ų | 76.4 | 28% | 0.28 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 178.2 | -70.1 | 0 | 0 | 0 | 0 | 112.8 | N1138 A1139 Y1140 E1145 Q1146 | N1138-S1142 WeakPolarHBondContact O-CB 3.31Å; N1138-S1142 PolarHBondContact O-N 3.26Å; N1138-S1142 PolarHBondContact O-OG 3.12Å; A1139-S1142 PolarHBondContact O-N 3.47Å; Y1140-S1142 VanDerWaalsContact C-N 3.3Å; Y1140-S1142 PolarHBondContact O-N 2.99Å; S1142-E1145 PolarHBondContact O-N 3.32Å; S1142-Q1146 WeakPolarHBondContact O-CB 3.44Å; S1142-Q1146 WeakPolarHBondContact O-CG 3.46Å; S1142-Q1146 PolarHBondContact O-N 3.18Å |
| 1143 | C | 83.8 | Confident | 76.8 | Confident | 1 Ų | 1 | 79.5 Ų | 79.5 | 1% | 0.007 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.2 | -43.3 | 174.9 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | Y1040 A1139 Y1140 A1147 | Y1040-C1143 HydrophobicContact CD1-CB 3.7Å; Y1040-C1143 HydrophobicContact CE1-CB 4.41Å; Y1040-C1143 HydrophobicContact CG-CB 4.23Å; A1139-C1143 WeakPolarHBondContact O-CB 3.42Å; A1139-C1143 PolarHBondContact O-N 2.95Å; A1139-C1143 PolarHBondContact O-SG 2.94Å; Y1140-C1143 PolarHBondContact O-N 3.34Å; Y1140-C1143 VanDerWaalsContact O-N 3.15Å; C1143-A1147 WeakPolarHBondContact O-CB 3.45Å; C1143-A1147 PolarHBondContact O-N 3.03Å |
| 1144 | Y | 82.9 | Confident | 74.3 | Confident | 95 Ų | 95 | 84 Ų | 84 | 37% | 0.373 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.7 | -44.3 | 174.8 | -80.3 | -75.7 | 0 | 0 | 0 | 112.1 | A1042 Y1140 R1141 A1147 F1148 | A1042-Y1144 HydrophobicContact CB-CD1 3.33Å; A1042-Y1144 HydrophobicContact CB-CE1 3.47Å; A1042-Y1144 VanDerWaalsContact CB-CE1 3.47Å; A1042-Y1144 HydrophobicContact CB-CG 4.29Å; Y1140-Y1144 AromaticContact CD1-CE2 3.94Å; Y1140-Y1144 HydrophobicContact CD1-CE2 3.94Å; Y1140-Y1144 WeakPolarHBondContact O-CD2 3.46Å; Y1140-Y1144 PolarHBondContact O-N 3.04Å; R1141-Y1144 PolarHBondContact O-N 3.35Å; Y1144-A1147 PolarHBondContact O-N 2.97Å; Y1144-F1148 WeakPolarHBondContact O-CD2 3.45Å; Y1144-F1148 PolarHBondContact O-N 2.71Å |
| 1145 | E | 82.2 | Confident | 73.6 | Confident | 100 Ų | 100 | 83.2 Ų | 83.2 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 177 | -77.1 | 175.2 | -179.5 | 0 | 0 | 111.8 | R1141 S1142 F1148 S1149 | R1141-E1145 HydrophobicContact CG-CG 4.41Å; R1141-E1145 IonicContact CZ-OE1 3.11Å; R1141-E1145 IonicContact NE-OE1 3.71Å; R1141-E1145 PolarHBondContact NE-OE1 3.22Å; R1141-E1145 IonicContact NH2-OE1 2.94Å; R1141-E1145 PolarHBondContact NH2-OE1 2.75Å; R1141-E1145 WeakPolarHBondContact O-CB 3.35Å; R1141-E1145 WeakPolarHBondContact O-CG 3.47Å; R1141-E1145 PolarHBondContact O-N 2.88Å; S1142-E1145 PolarHBondContact O-N 3.32Å; E1145-F1148 PolarHBondContact O-N 2.92Å; E1145-S1149 PolarHBondContact O-N 2.9Å |
| 1146 | Q | 75.6 | Confident | 72.8 | Confident | 63 Ų | 63 | 85 Ų | 85 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 173.4 | -80.2 | -178.2 | -2.6 | 0 | 0 | 111.3 | S1142 F1148 S1149 H1150 | S1142-Q1146 WeakPolarHBondContact O-CB 3.44Å; S1142-Q1146 WeakPolarHBondContact O-CG 3.46Å; S1142-Q1146 PolarHBondContact O-N 3.18Å; Q1146-F1148 PolarHBondContact O-N 3.13Å; Q1146-S1149 PolarHBondContact O-N 3.41Å; Q1146-S1149 PolarHBondContact O-OG 3.1Å; Q1146-H1150 PolarHBondContact O-CD2 3.43Å; Q1146-H1150 PolarHBondContact O-N 2.88Å |
| 1147 | A | 70.1 | Confident | 72 | Confident | 24 Ų | 24 | 89.5 Ų | 89.5 | 20% | 0.198 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -60.6 | -42.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1042 C1143 Y1144 H1150 A1151 | A1042-A1147 HydrophobicContact CB-CB 3.7Å; C1143-A1147 WeakPolarHBondContact O-CB 3.45Å; C1143-A1147 PolarHBondContact O-N 3.03Å; Y1144-A1147 PolarHBondContact O-N 2.97Å; A1147-H1150 PolarHBondContact O-N 3.29Å; A1147-A1151 PolarHBondContact O-N 3.2Å; A1147-A1151 VanDerWaalsContact O-N 3.14Å |
| 1148 | F | 68.2 | Low | 71.1 | Confident | 146 Ų | 146 | 86 Ų | 86 | 64% | 0.64 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.8 | -40.9 | 174.4 | -95.4 | -78.8 | 0 | 0 | 0 | 112.5 | Y1144 E1145 Q1146 H1150 A1151 V1152 | Y1144-F1148 WeakPolarHBondContact O-CD2 3.45Å; Y1144-F1148 PolarHBondContact O-N 2.71Å; E1145-F1148 PolarHBondContact O-N 2.92Å; Q1146-F1148 PolarHBondContact O-N 3.13Å; F1148-H1150 PolarHBondContact O-N 3.17Å; F1148-A1151 PolarHBondContact O-N 3.01Å; F1148-V1152 WeakPolarHBondContact O-CG2 3.39Å; F1148-V1152 PolarHBondContact O-N 3.49Å |
| 1149 | S | 65.3 | Low | 70 | Confident | 66 Ų | 66 | 86.4 Ų | 86.4 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.3 | -38.7 | 178.5 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | E1145 Q1146 V1152 V1153 | E1145-S1149 PolarHBondContact O-N 2.9Å; Q1146-S1149 PolarHBondContact O-N 3.41Å; Q1146-S1149 PolarHBondContact O-OG 3.1Å; S1149-V1152 PolarHBondContact O-N 3.42Å; S1149-V1153 WeakPolarHBondContact O-CG2 3.22Å; S1149-V1153 PolarHBondContact O-N 2.92Å |
| 1150 | H | 56.9 | Low | 68.7 | Low | 98 Ų | 98 | 92.1 Ų | 92.1 | 45% | 0.454 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.6 | -36.1 | 174.7 | -87.2 | -75.4 | 0 | 0 | 0 | 112.5 | Q1146 A1147 F1148 V1152 V1153 M1154 | Q1146-H1150 PolarHBondContact O-CD2 3.43Å; Q1146-H1150 PolarHBondContact O-N 2.88Å; A1147-H1150 PolarHBondContact O-N 3.29Å; F1148-H1150 PolarHBondContact O-N 3.17Å; H1150-V1152 VanDerWaalsContact C-N 3.32Å; H1150-V1152 PolarHBondContact O-N 3.44Å; H1150-V1153 PolarHBondContact O-N 3.3Å; H1150-M1154 PolarHBondContact O-N 3.34Å |
| 1151 | A | 54.8 | Low | 67.4 | Low | 66 Ų | 66 | 95.2 Ų | 95.2 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -73 | -18 | 179 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1147 F1148 | A1147-A1151 PolarHBondContact O-N 3.2Å; A1147-A1151 VanDerWaalsContact O-N 3.14Å; F1148-A1151 PolarHBondContact O-N 3.01Å |
| 1152 | V | 50.4 | Low | 65.9 | Low | 122 Ų | 122 | 90.2 Ų | 90.2 | 74% | 0.739 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -89.6 | -19.4 | 175.8 | 175 | 0 | 0 | 0 | 0 | 112 | F1148 S1149 H1150 | F1148-V1152 WeakPolarHBondContact O-CG2 3.39Å; F1148-V1152 PolarHBondContact O-N 3.49Å; S1149-V1152 PolarHBondContact O-N 3.42Å; H1150-V1152 VanDerWaalsContact C-N 3.32Å; H1150-V1152 PolarHBondContact O-N 3.44Å |
| 1153 | V | 45.6 | Very low | 64.3 | Low | 131 Ų | 131 | 94.3 Ų | 94.3 | 79% | 0.794 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -92 | -26.4 | 179.6 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | S1149 H1150 | S1149-V1153 WeakPolarHBondContact O-CG2 3.22Å; S1149-V1153 PolarHBondContact O-N 2.92Å; H1150-V1153 PolarHBondContact O-N 3.3Å |
| 1154 | M | 36.1 | Very low | 62.5 | Low | 220 Ų | 220 | 102.8 Ų | 102.8 | 100% | 1.084 | 55% | 0.55 | S | S | * | * | trans | -79.8 | 0 | 163.8 | -74.9 | -168.6 | -178.1 | 0 | 0 | 110.7 | H1150 | H1150-M1154 PolarHBondContact O-N 3.34Š|
Retrieved 1,154 of 1,154 residues in 588.2 ms
(Link to these results)