| 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 | 31.6 | Very low | 28.4 | Very low | 116 Ų | 116 | 66.8 Ų | 66.8 | 57% | 0.571 | 44% | 0.437 | S | S | * | . | 0 | 84.7 | 0 | -72.9 | 171.9 | -70.5 | 0 | 0 | 109.1 | M850 | M1-M850 HydrophobicContact SD-CE 3.66Å; M1-M850 HydrophobicContact SD-SD 4.22Å | |||
| 2 | V | 27.4 | Very low | 29.8 | Very low | 70 Ų | 70 | 68.3 Ų | 68.3 | 42% | 0.424 | 45% | 0.45 | S | S | . | . | trans | -109.3 | -25.8 | -165.4 | 179.1 | 0 | 0 | 0 | 0 | 113.6 | H5 K911 F915 | V2-H5 PolarHBondContact O-N 2.74Å; V2-K911 HydrophobicContact CB-CD 4.38Å; V2-F915 HydrophobicContact CB-CE2 4.34Å; V2-F915 HydrophobicContact CG1-CE2 4.43Å | ||
| 3 | A | 23.1 | Very low | 31.9 | Very low | 27 Ų | 27 | 66.2 Ų | 66.2 | 22% | 0.223 | 44% | 0.441 | C | S | . | . | G | 310 helix | trans | -86.5 | -24 | -171.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | H5 P907 I910 K911 | A3-H5 PolarHBondContact O-N 3.31Å; A3-P907 VanDerWaalsContact CB-O 3.23Å; A3-P907 WeakPolarHBondContact CB-O 3.44Å; A3-I910 HydrophobicContact CB-CB 4.26Å; A3-I910 HydrophobicContact CB-CG2 4.16Å; A3-K911 HydrophobicContact CB-CB 3.68Å; A3-K911 HydrophobicContact CB-CG 4.45Å |
| 4 | A | 25.1 | Very low | 34.8 | Very low | 31 Ų | 31 | 67.7 Ų | 67.7 | 26% | 0.256 | 44% | 0.439 | S | S | . | . | G | 310 helix | trans | -73.4 | -13.1 | 170 | 0 | 0 | 0 | 0 | 0 | 112.6 | P907 | A4-P907 HydrophobicContact CB-CB 4.06Å; A4-P907 HydrophobicContact CB-CG 4.27Å |
| 5 | H | 30.8 | Very low | 37.9 | Very low | 66 Ų | 66 | 64.9 Ų | 64.9 | 31% | 0.306 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -101.4 | 7 | -177.9 | -79.3 | -68.4 | 0 | 0 | 0 | 114 | V2 A3 A7 H8 S9 | V2-H5 PolarHBondContact O-N 2.74Å; A3-H5 PolarHBondContact O-N 3.31Å; H5-A7 PolarHBondContact O-N 3.31Å; H5-H8 CarbonylContact O-C 3.6Å; H5-H8 WeakPolarHBondContact O-CA 3.46Å; H5-H8 PolarHBondContact O-N 3.1Å; H5-H8 VanDerWaalsContact O-O 3.12Å; H5-S9 PolarHBondContact O-N 2.89Å |
| 6 | A | 23 | Very low | 40.8 | Very low | 91 Ų | 91 | 62.9 Ų | 62.9 | 75% | 0.752 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -13.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 7 | A | 23.8 | Very low | 43.3 | Very low | 62 Ų | 62 | 62.5 Ų | 62.5 | 51% | 0.512 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -5.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | H5 | H5-A7 PolarHBondContact O-N 3.31Š|
| 8 | H | 29.4 | Very low | 45.7 | Very low | 58 Ų | 58 | 59.4 Ų | 59.4 | 27% | 0.269 | 38% | 0.384 | S | S | . | . | trans | -130.3 | 71.4 | 169.2 | -73.7 | -58.4 | 0 | 0 | 0 | 108.2 | H5 S10 E701 | H5-H8 CarbonylContact O-C 3.6Å; H5-H8 WeakPolarHBondContact O-CA 3.46Å; H5-H8 PolarHBondContact O-N 3.1Å; H5-H8 VanDerWaalsContact O-O 3.12Å; H8-S10 PolarHBondContact O-N 3.5Å; H8-E701 IonicContact CE1-OE2 3.26Å; H8-E701 IonicContact ND1-OE2 2.73Å | ||
| 9 | S | 26.4 | Very low | 47.8 | Very low | 91 Ų | 91 | 56.4 Ų | 56.4 | 64% | 0.636 | 37% | 0.365 | S | S | * | . | trans | -69.4 | 4.2 | 171 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | H5 | H5-S9 PolarHBondContact O-N 2.89Š| ||
| 10 | S | 33.6 | Very low | 49.7 | Very low | 49 Ų | 49 | 59.2 Ų | 59.2 | 34% | 0.343 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.4 | -54.5 | -177.8 | 45 | 0 | 0 | 0 | 0 | 112.2 | H8 S12 E14 | H8-S10 PolarHBondContact O-N 3.5Å; S10-S12 PolarHBondContact O-N 3.14Å; S10-E14 VanDerWaalsContact C-OE1 3.31Å; S10-E14 VanDerWaalsContact O-CB 3.27Å; S10-E14 WeakPolarHBondContact O-CB 3.36Å; S10-E14 VanDerWaalsContact O-CD 3.32Å; S10-E14 WeakPolarHBondContact O-CG 3.17Å; S10-E14 PolarHBondContact O-N 3.41Å |
| 11 | S | 38.7 | Very low | 51.5 | Low | 74 Ų | 74 | 60.1 Ų | 60.1 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -76 | -20.8 | -167.8 | 62.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 12 | S | 44.8 | Very low | 54 | Low | 84 Ų | 84 | 62.4 Ų | 62.4 | 59% | 0.587 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -91.7 | -18.5 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 113.9 | S10 W15 | S10-S12 PolarHBondContact O-N 3.14Å; S12-W15 PolarHBondContact O-NE1 2.87Å |
| 13 | A | 56.4 | Low | 56.9 | Low | 41 Ų | 41 | 60.7 Ų | 60.7 | 34% | 0.339 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -126 | 6.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113 | W15 I16 A17 | A13-W15 PolarHBondContact O-N 3.36Å; A13-I16 HydrophobicContact CB-CD1 4.22Å; A13-I16 WeakPolarHBondContact O-CB 3.35Å; A13-I16 PolarHBondContact O-N 3.48Å; A13-A17 PolarHBondContact O-N 3.44Å |
| 14 | E | 73.8 | Confident | 60 | Low | 88 Ų | 88 | 67.9 Ų | 67.9 | 41% | 0.411 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -52.6 | -39.2 | 177.9 | -108 | 158.8 | -144.3 | 0 | 0 | 112.5 | S10 I16 A17 C18 I33 | S10-E14 VanDerWaalsContact C-OE1 3.31Å; S10-E14 VanDerWaalsContact O-CB 3.27Å; S10-E14 WeakPolarHBondContact O-CB 3.36Å; S10-E14 VanDerWaalsContact O-CD 3.32Å; S10-E14 WeakPolarHBondContact O-CG 3.17Å; S10-E14 PolarHBondContact O-N 3.41Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 3.01Å; E14-A17 PolarHBondContact O-N 3.28Å; E14-C18 PolarHBondContact O-N 2.85Å; E14-C18 PolarHBondContact O-SG 3.13Å; E14-I33 HydrophobicContact CB-CG2 4.42Å |
| 15 | W | 80.8 | Confident | 63 | Low | 26 Ų | 26 | 71.3 Ų | 71.3 | 10% | 0.098 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -66.4 | -27.9 | 177.7 | 69.1 | -86.5 | 0 | 0 | 0 | 113.5 | S12 A13 C18 L19 I33 R37 Y61 L84 | S12-W15 PolarHBondContact O-NE1 2.87Å; A13-W15 PolarHBondContact O-N 3.36Å; W15-C18 WeakPolarHBondContact O-CB 3.28Å; W15-C18 PolarHBondContact O-N 2.99Å; W15-L19 HydrophobicContact CE3-CD1 3.66Å; W15-L19 HydrophobicContact CZ3-CD1 3.6Å; W15-L19 PolarHBondContact O-N 3.32Å; W15-I33 HydrophobicContact CB-CG2 3.77Å; W15-R37 HydrophobicContact CB-CB 4.35Å; W15-R37 HydrophobicContact CD2-CB 4.29Å; W15-R37 HydrophobicContact CD2-CG 3.79Å; W15-R37 HydrophobicContact CE3-CG 4.25Å; W15-R37 HydrophobicContact CG-CB 4.11Å; W15-R37 HydrophobicContact CG-CG 3.99Å; W15-R37 HydrophobicContact CZ2-CG 4.4Å; W15-Y61 HydrophobicContact CH2-CD2 4.23Å; W15-Y61 AromaticContact CH2-CE2 3.91Å; W15-Y61 HydrophobicContact CH2-CE2 3.91Å; W15-Y61 HydrophobicContact CZ3-CD2 4.13Å; W15-Y61 HydrophobicContact CZ3-CE2 4.28Å; W15-L84 HydrophobicContact CH2-CD1 3.71Å; W15-L84 HydrophobicContact CZ3-CD1 3.71Å |
| 16 | I | 84.7 | Confident | 65.8 | Low | 33 Ų | 33 | 69.4 Ų | 69.4 | 17% | 0.169 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -70 | -47.2 | 175 | -60 | 174.9 | 0 | 0 | 0 | 109 | A13 E14 C18 L19 D20 Y61 | A13-I16 HydrophobicContact CB-CD1 4.22Å; A13-I16 WeakPolarHBondContact O-CB 3.35Å; A13-I16 PolarHBondContact O-N 3.48Å; E14-I16 VanDerWaalsContact C-N 3.29Å; E14-I16 PolarHBondContact O-N 3.01Å; I16-C18 PolarHBondContact O-N 3.45Å; I16-L19 CarbonylContact O-C 3.59Å; I16-L19 WeakPolarHBondContact O-CA 3.46Å; I16-L19 PolarHBondContact O-N 3.46Å; I16-D20 PolarHBondContact O-N 3.08Å; I16-Y61 HydrophobicContact CD1-CE2 4.33Å; I16-Y61 HydrophobicContact CG1-CE2 4.22Å; I16-Y61 HydrophobicContact CG2-CD1 3.63Å; I16-Y61 HydrophobicContact CG2-CE1 3.52Å; I16-Y61 HydrophobicContact CG2-CE2 4.43Å; I16-Y61 HydrophobicContact CG2-CG 4.13Å |
| 17 | A | 82 | Confident | 69 | Low | 55 Ų | 55 | 67.4 Ų | 67.4 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.6 | -31.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | A13 E14 K21 | A13-A17 PolarHBondContact O-N 3.44Å; E14-A17 PolarHBondContact O-N 3.28Å; A17-K21 PolarHBondContact O-N 3.46Å |
| 18 | C | 86.9 | Confident | 71.8 | Confident | 7 Ų | 7 | 69 Ų | 69 | 5% | 0.047 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.1 | -37.8 | 172.1 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | E14 W15 I16 K21 R26 D30 I34 | E14-C18 PolarHBondContact O-N 2.85Å; E14-C18 PolarHBondContact O-SG 3.13Å; W15-C18 WeakPolarHBondContact O-CB 3.28Å; W15-C18 PolarHBondContact O-N 2.99Å; I16-C18 PolarHBondContact O-N 3.45Å; C18-K21 WeakPolarHBondContact O-CB 3.48Å; C18-R26 PolarHBondContact O-NE 3.05Å; C18-D30 HydrophobicContact CB-CB 3.97Å; C18-D30 PolarHBondContact SG-OD1 3.41Å; C18-D30 VanDerWaalsContact SG-OD1 3.37Å; C18-I34 HydrophobicContact CB-CD1 3.64Å; C18-I34 HydrophobicContact CB-CG1 3.63Å |
| 19 | L | 86.8 | Confident | 74.4 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.016 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -75.1 | -27.8 | 176.1 | -75 | 172.8 | 0 | 0 | 0 | 113.2 | W15 I16 K21 R26 I34 Y61 L136 | W15-L19 HydrophobicContact CE3-CD1 3.66Å; W15-L19 HydrophobicContact CZ3-CD1 3.6Å; W15-L19 PolarHBondContact O-N 3.32Å; I16-L19 CarbonylContact O-C 3.59Å; I16-L19 WeakPolarHBondContact O-CA 3.46Å; I16-L19 PolarHBondContact O-N 3.46Å; L19-K21 PolarHBondContact O-N 3.24Å; L19-R26 PolarHBondContact O-NH2 3.23Å; L19-I34 HydrophobicContact CD2-CD1 3.75Å; L19-I34 HydrophobicContact CD2-CG1 4.25Å; L19-I34 HydrophobicContact CD2-CG2 4.03Å; L19-I34 HydrophobicContact CG-CD1 3.93Å; L19-I34 HydrophobicContact CG-CG1 4.05Å; L19-I34 HydrophobicContact CG-CG2 4.32Å; L19-Y61 HydrophobicContact CD1-CD2 4.43Å; L19-L136 HydrophobicContact CD1-CD1 4.34Å; L19-L136 HydrophobicContact CD2-CD1 4.32Å |
| 20 | D | 85.6 | Confident | 77.2 | Confident | 111 Ų | 111 | 68.8 Ų | 68.8 | 59% | 0.594 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -65.6 | -28.7 | 173.3 | -72.6 | -22.8 | 0 | 0 | 0 | 112.1 | I16 R22 | I16-D20 PolarHBondContact O-N 3.08Å; D20-R22 PolarHBondContact O-N 3.4Å |
| 21 | K | 85.8 | Confident | 79.9 | Confident | 80 Ų | 80 | 66.6 Ų | 66.6 | 35% | 0.348 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -62.3 | 133.7 | 169.6 | -65.4 | 173.5 | 179.4 | 176 | 0 | 109.2 | A17 C18 L19 R26 D30 | A17-K21 PolarHBondContact O-N 3.46Å; C18-K21 WeakPolarHBondContact O-CB 3.48Å; L19-K21 PolarHBondContact O-N 3.24Å; K21-R26 HydrophobicContact CB-CG 4.16Å; K21-R26 PolarHBondContact O-NE 3.29Å; K21-R26 VanDerWaalsContact O-NE 3.14Å; K21-R26 PolarHBondContact O-NH2 2.87Å; K21-D30 WeakPolarHBondContact CD-OD2 3.46Å; K21-D30 IonicContact NZ-OD1 2.87Å; K21-D30 PolarHBondContact NZ-OD1 3.21Å; K21-D30 IonicContact NZ-OD2 3.73Å; K21-D30 PolarHBondContact NZ-OD2 3.25Å |
| 22 | R | 86.1 | Confident | 82.1 | Confident | 163 Ų | 163 | 67.4 Ų | 67.4 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | trans | -57.9 | 145.4 | 175.2 | -63.8 | -176.8 | -73.6 | -169.9 | -0 | 109.2 | D20 L24 E25 | D20-R22 PolarHBondContact O-N 3.4Å; R22-L24 PolarHBondContact O-N 2.66Å; R22-E25 HydrophobicContact CB-CG 4.35Å; R22-E25 WeakPolarHBondContact CB-OE2 3.49Å; R22-E25 IonicContact CZ-OE1 3.37Å; R22-E25 IonicContact CZ-OE2 3.88Å; R22-E25 IonicContact NE-OE1 3.29Å; R22-E25 PolarHBondContact NE-OE1 2.98Å; R22-E25 IonicContact NE-OE2 3.05Å; R22-E25 PolarHBondContact NE-OE2 3.45Å; R22-E25 IonicContact NH2-OE1 2.66Å; R22-E25 PolarHBondContact NH2-OE1 3.06Å; R22-E25 IonicContact NH2-OE2 3.83Å; R22-E25 PolarHBondContact O-N 3.38Å | ||
| 23 | P | 88.3 | Confident | 83.9 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -46.2 | -38.5 | -179.6 | -36.1 | 39.6 | 0 | 0 | 0 | 115.3 | E25 L57 Y60 | P23-E25 VanDerWaalsContact C-N 3.28Å; P23-E25 PolarHBondContact O-N 2.63Å; P23-L57 VanDerWaalsContact CB-O 3.29Å; P23-L57 WeakPolarHBondContact CB-O 3.2Å; P23-Y60 HydrophobicContact CG-CE1 4.08Å; P23-Y60 HydrophobicContact CG-CE2 4.31Å |
| 24 | L | 86.4 | Confident | 85.5 | Confident | 177 Ų | 177 | 63.8 Ų | 63.8 | 93% | 0.927 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -72.3 | -15.3 | -180 | -63.9 | 172.2 | 0 | 0 | 0 | 114.5 | R22 | R22-L24 PolarHBondContact O-N 2.66Š|
| 25 | E | 89.9 | Confident | 86.2 | Confident | 103 Ų | 103 | 61.6 Ų | 61.6 | 48% | 0.481 | 32% | 0.32 | S | S | . | . | G | 310 helix | trans | -104.3 | 1.3 | -175.2 | -62.9 | 174.7 | 150.9 | 0 | 0 | 112.6 | R22 P23 | R22-E25 HydrophobicContact CB-CG 4.35Å; R22-E25 WeakPolarHBondContact CB-OE2 3.49Å; R22-E25 IonicContact CZ-OE1 3.37Å; R22-E25 IonicContact CZ-OE2 3.88Å; R22-E25 IonicContact NE-OE1 3.29Å; R22-E25 PolarHBondContact NE-OE1 2.98Å; R22-E25 IonicContact NE-OE2 3.05Å; R22-E25 PolarHBondContact NE-OE2 3.45Å; R22-E25 IonicContact NH2-OE1 2.66Å; R22-E25 PolarHBondContact NH2-OE1 3.06Å; R22-E25 IonicContact NH2-OE2 3.83Å; R22-E25 PolarHBondContact O-N 3.38Å; P23-E25 VanDerWaalsContact C-N 3.28Å; P23-E25 PolarHBondContact O-N 2.63Å |
| 26 | R | 89.4 | Confident | 86.4 | Confident | 26 Ų | 26 | 64.7 Ų | 64.7 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | trans | -77.9 | 132.1 | -177.5 | -67.3 | -179.9 | -178.1 | 164.6 | 5.7 | 111.1 | C18 L19 K21 D30 C56 L57 G59 | C18-R26 PolarHBondContact O-NE 3.05Å; L19-R26 PolarHBondContact O-NH2 3.23Å; K21-R26 HydrophobicContact CB-CG 4.16Å; K21-R26 PolarHBondContact O-NE 3.29Å; K21-R26 VanDerWaalsContact O-NE 3.14Å; K21-R26 PolarHBondContact O-NH2 2.87Å; R26-D30 HydrophobicContact CB-CB 4.4Å; R26-C56 PolarHBondContact NH1-O 2.76Å; R26-L57 PolarHBondContact NH1-O 3.34Å; R26-L57 VanDerWaalsContact NH1-O 3.16Å; R26-G59 VanDerWaalsContact CZ-O 3.27Å; R26-G59 PolarHBondContact NH1-O 3.18Å; R26-G59 PolarHBondContact NH2-O 2.92Å | ||
| 27 | S | 88.8 | Confident | 86.4 | Confident | 49 Ų | 49 | 68.3 Ų | 68.3 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | trans | -84.3 | 169.6 | 170.5 | 68.1 | 0 | 0 | 0 | 0 | 111.5 | E29 D30 V31 | S27-E29 VanDerWaalsContact C-N 3.28Å; S27-E29 PolarHBondContact O-N 3.24Å; S27-D30 WeakPolarHBondContact CB-OD2 3.35Å; S27-D30 PolarHBondContact N-OD2 2.9Å; S27-D30 WeakPolarHBondContact O-CB 3.44Å; S27-D30 PolarHBondContact O-N 3.46Å; S27-D30 PolarHBondContact OG-N 3.32Å; S27-D30 PolarHBondContact OG-OD2 3.43Å; S27-V31 WeakPolarHBondContact O-CG2 3.32Å; S27-V31 PolarHBondContact O-N 3.27Å | ||
| 28 | S | 83.8 | Confident | 86.6 | Confident | 95 Ų | 95 | 65.7 Ų | 65.7 | 66% | 0.664 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -61.7 | -37.6 | 172.3 | 53.4 | 0 | 0 | 0 | 0 | 112.2 | V31 D32 | S28-V31 PolarHBondContact O-N 2.99Å; S28-D32 PolarHBondContact O-N 2.96Å |
| 29 | E | 83.8 | Confident | 86.6 | Confident | 136 Ų | 136 | 71.8 Ų | 71.8 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 177.4 | -174.2 | 173.1 | -160.7 | 0 | 0 | 111.5 | S27 V31 D32 I33 | S27-E29 VanDerWaalsContact C-N 3.28Å; S27-E29 PolarHBondContact O-N 3.24Å; E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 3.33Å; E29-D32 PolarHBondContact O-N 3.32Å; E29-I33 HydrophobicContact CG-CD1 4.09Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.35Å; E29-I33 PolarHBondContact O-N 3.48Å |
| 30 | D | 85.2 | Confident | 86.2 | Confident | 10 Ų | 10 | 78 Ų | 78 | 5% | 0.053 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.2 | -43.8 | 174.5 | -63.1 | -44.6 | 0 | 0 | 0 | 111.1 | C18 K21 R26 S27 I33 I34 | C18-D30 HydrophobicContact CB-CB 3.97Å; C18-D30 PolarHBondContact SG-OD1 3.41Å; C18-D30 VanDerWaalsContact SG-OD1 3.37Å; K21-D30 WeakPolarHBondContact CD-OD2 3.46Å; K21-D30 IonicContact NZ-OD1 2.87Å; K21-D30 PolarHBondContact NZ-OD1 3.21Å; K21-D30 IonicContact NZ-OD2 3.73Å; K21-D30 PolarHBondContact NZ-OD2 3.25Å; R26-D30 HydrophobicContact CB-CB 4.4Å; S27-D30 WeakPolarHBondContact CB-OD2 3.35Å; S27-D30 PolarHBondContact N-OD2 2.9Å; S27-D30 WeakPolarHBondContact O-CB 3.44Å; S27-D30 PolarHBondContact O-N 3.46Å; S27-D30 PolarHBondContact OG-N 3.32Å; S27-D30 PolarHBondContact OG-OD2 3.43Å; D30-I33 PolarHBondContact O-N 3.05Å; D30-I34 WeakPolarHBondContact O-CD1 3.43Å; D30-I34 WeakPolarHBondContact O-CG1 3.48Å; D30-I34 PolarHBondContact O-N 3.05Å |
| 31 | V | 89 | Confident | 85.9 | Confident | 2 Ų | 2 | 73.6 Ų | 73.6 | 1% | 0.012 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.2 | -41.6 | 179.1 | 174.5 | 0 | 0 | 0 | 0 | 111.3 | S27 S28 E29 I33 I34 F35 C56 L57 | S27-V31 WeakPolarHBondContact O-CG2 3.32Å; S27-V31 PolarHBondContact O-N 3.27Å; S28-V31 PolarHBondContact O-N 2.99Å; E29-V31 VanDerWaalsContact C-N 3.28Å; E29-V31 PolarHBondContact O-N 3.33Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 3.4Å; V31-I34 PolarHBondContact O-N 2.79Å; V31-F35 WeakPolarHBondContact O-CB 3.34Å; V31-F35 PolarHBondContact O-N 2.93Å; V31-C56 HydrophobicContact CG1-CB 3.83Å; V31-L57 HydrophobicContact CG2-CD2 3.64Å; V31-L57 HydrophobicContact CG2-CG 4.26Å |
| 32 | D | 85.7 | Confident | 85.3 | Confident | 92 Ų | 92 | 73.8 Ų | 73.8 | 49% | 0.492 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 178 | -71.1 | -25.8 | 0 | 0 | 0 | 111.9 | S28 E29 F35 T36 | S28-D32 PolarHBondContact O-N 2.96Å; E29-D32 PolarHBondContact O-N 3.32Å; D32-F35 PolarHBondContact O-N 2.69Å; D32-T36 WeakPolarHBondContact O-CB 3.49Å; D32-T36 PolarHBondContact O-N 2.79Å; D32-T36 PolarHBondContact O-OG1 2.84Å |
| 33 | I | 83.9 | Confident | 84.8 | Confident | 48 Ų | 48 | 66.4 Ų | 66.4 | 25% | 0.246 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.2 | -48.9 | 175.7 | -67.5 | 166.9 | 0 | 0 | 0 | 110.4 | E14 W15 E29 D30 V31 T36 R37 | E14-I33 HydrophobicContact CB-CG2 4.42Å; W15-I33 HydrophobicContact CB-CG2 3.77Å; E29-I33 HydrophobicContact CG-CD1 4.09Å; E29-I33 VanDerWaalsContact O-CG1 3.27Å; E29-I33 WeakPolarHBondContact O-CG1 3.35Å; E29-I33 PolarHBondContact O-N 3.48Å; D30-I33 PolarHBondContact O-N 3.05Å; V31-I33 VanDerWaalsContact C-N 3.34Å; V31-I33 PolarHBondContact O-N 3.4Å; I33-T36 PolarHBondContact O-N 3.1Å; I33-R37 PolarHBondContact O-N 3Å |
| 34 | I | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62.3 | -45.3 | 177.5 | -64 | 162.5 | 0 | 0 | 0 | 110.4 | C18 L19 D30 V31 T36 R37 L38 C56 | C18-I34 HydrophobicContact CB-CD1 3.64Å; C18-I34 HydrophobicContact CB-CG1 3.63Å; L19-I34 HydrophobicContact CD2-CD1 3.75Å; L19-I34 HydrophobicContact CD2-CG1 4.25Å; L19-I34 HydrophobicContact CD2-CG2 4.03Å; L19-I34 HydrophobicContact CG-CD1 3.93Å; L19-I34 HydrophobicContact CG-CG1 4.05Å; L19-I34 HydrophobicContact CG-CG2 4.32Å; D30-I34 WeakPolarHBondContact O-CD1 3.43Å; D30-I34 WeakPolarHBondContact O-CG1 3.48Å; D30-I34 PolarHBondContact O-N 3.05Å; V31-I34 PolarHBondContact O-N 2.79Å; I34-T36 VanDerWaalsContact C-N 3.34Å; I34-T36 PolarHBondContact O-N 3.26Å; I34-R37 PolarHBondContact O-N 2.8Å; I34-R37 VanDerWaalsContact O-N 3.08Å; I34-L38 HydrophobicContact CG2-CD1 3.64Å; I34-L38 HydrophobicContact CG2-CG 3.88Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 2.88Å; I34-C56 HydrophobicContact CB-CB 4.29Å; I34-C56 HydrophobicContact CG2-CB 3.95Å |
| 35 | F | 88.9 | Confident | 83.9 | Confident | 43 Ų | 43 | 63 Ų | 63 | 19% | 0.189 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.4 | -45.7 | -178.3 | -179.1 | -83.5 | 0 | 0 | 0 | 111.5 | V31 D32 R37 L38 K39 P49 L52 H53 C56 | V31-F35 WeakPolarHBondContact O-CB 3.34Å; V31-F35 PolarHBondContact O-N 2.93Å; D32-F35 PolarHBondContact O-N 2.69Å; F35-R37 PolarHBondContact O-N 3Å; F35-L38 PolarHBondContact O-N 3.15Å; F35-K39 HydrophobicContact CE1-CB 4.5Å; F35-K39 HydrophobicContact CE1-CD 4.04Å; F35-K39 WeakPolarHBondContact O-CB 3.33Å; F35-K39 PolarHBondContact O-N 3.11Å; F35-P49 HydrophobicContact CE2-CB 4.38Å; F35-P49 WeakPolarHBondContact CE2-O 3.46Å; F35-P49 HydrophobicContact CZ-CB 4.09Å; F35-L52 HydrophobicContact CD2-CB 4.22Å; F35-L52 HydrophobicContact CD2-CD2 3.98Å; F35-L52 HydrophobicContact CD2-CG 3.9Å; F35-L52 HydrophobicContact CE2-CB 3.81Å; F35-L52 HydrophobicContact CE2-CD2 3.73Å; F35-L52 HydrophobicContact CE2-CG 3.87Å; F35-L52 HydrophobicContact CZ-CD2 4.07Å; F35-H53 HydrophobicContact CD2-CB 4.4Å; F35-C56 VanDerWaalsContact CA-SG 3.56Å |
| 36 | T | 85.3 | Confident | 83.1 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 56% | 0.558 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -55.5 | -38.8 | 177.3 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | D32 I33 I34 | D32-T36 WeakPolarHBondContact O-CB 3.49Å; D32-T36 PolarHBondContact O-N 2.79Å; D32-T36 PolarHBondContact O-OG1 2.84Å; I33-T36 PolarHBondContact O-N 3.1Å; I34-T36 VanDerWaalsContact C-N 3.34Å; I34-T36 PolarHBondContact O-N 3.26Å |
| 37 | R | 84.9 | Confident | 82.9 | Confident | 109 Ų | 109 | 65.3 Ų | 65.3 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -76.6 | -47.9 | 178.2 | -173.3 | 60.6 | -179.4 | 143.6 | 2.6 | 113.4 | W15 I33 I34 F35 K39 E40 | W15-R37 HydrophobicContact CB-CB 4.35Å; W15-R37 HydrophobicContact CD2-CB 4.29Å; W15-R37 HydrophobicContact CD2-CG 3.79Å; W15-R37 HydrophobicContact CE3-CG 4.25Å; W15-R37 HydrophobicContact CG-CB 4.11Å; W15-R37 HydrophobicContact CG-CG 3.99Å; W15-R37 HydrophobicContact CZ2-CG 4.4Å; I33-R37 PolarHBondContact O-N 3Å; I34-R37 PolarHBondContact O-N 2.8Å; I34-R37 VanDerWaalsContact O-N 3.08Å; F35-R37 PolarHBondContact O-N 3Å; R37-K39 VanDerWaalsContact C-N 3.27Å; R37-K39 PolarHBondContact O-N 2.84Å; R37-E40 IonicContact CZ-OE2 2.78Å; R37-E40 IonicContact NH1-OE2 2.65Å; R37-E40 PolarHBondContact NH1-OE2 3.44Å; R37-E40 PolarHBondContact O-N 2.82Å |
| 38 | L | 86.6 | Confident | 82.9 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.8 | -26.5 | -175.4 | -66.1 | -173.5 | 0 | 0 | 0 | 112.5 | I34 F35 E40 V41 F44 L52 I55 L84 L136 | I34-L38 HydrophobicContact CG2-CD1 3.64Å; I34-L38 HydrophobicContact CG2-CG 3.88Å; I34-L38 WeakPolarHBondContact O-CG 3.46Å; I34-L38 PolarHBondContact O-N 2.88Å; F35-L38 PolarHBondContact O-N 3.15Å; L38-E40 PolarHBondContact O-N 2.96Å; L38-V41 HydrophobicContact CD2-CG2 4.41Å; L38-V41 WeakPolarHBondContact O-CB 3.4Å; L38-V41 PolarHBondContact O-N 3.08Å; L38-F44 HydrophobicContact CB-CD2 4.08Å; L38-F44 HydrophobicContact CB-CE2 4.49Å; L38-F44 HydrophobicContact CD2-CE2 4.24Å; L38-F44 WeakPolarHBondContact O-CD2 3.4Å; L38-L52 HydrophobicContact CB-CD1 3.79Å; L38-L52 HydrophobicContact CB-CG 4.47Å; L38-L52 HydrophobicContact CD1-CD1 4.44Å; L38-I55 HydrophobicContact CD1-CG2 4.17Å; L38-L84 HydrophobicContact CD2-CD2 3.87Å; L38-L136 HydrophobicContact CD1-CD2 3.9Å; L38-L136 HydrophobicContact CD2-CD2 4.27Å |
| 39 | K | 86.2 | Confident | 83.1 | Confident | 134 Ų | 134 | 65 Ų | 65 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -25.5 | 176.3 | -173.3 | -178.9 | 176.5 | -172.2 | 0 | 112.9 | F35 R37 V41 L52 | F35-K39 HydrophobicContact CE1-CB 4.5Å; F35-K39 HydrophobicContact CE1-CD 4.04Å; F35-K39 WeakPolarHBondContact O-CB 3.33Å; F35-K39 PolarHBondContact O-N 3.11Å; R37-K39 VanDerWaalsContact C-N 3.27Å; R37-K39 PolarHBondContact O-N 2.84Å; K39-V41 VanDerWaalsContact C-N 3.31Å; K39-L52 HydrophobicContact CB-CD2 3.8Å; K39-L52 HydrophobicContact CG-CD2 4.37Å |
| 40 | E | 78.9 | Confident | 83.5 | Confident | 134 Ų | 134 | 63 Ų | 63 | 63% | 0.626 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -7.6 | 178.4 | -58.1 | -179.8 | 155.2 | 0 | 0 | 113.1 | R37 L38 | R37-E40 IonicContact CZ-OE2 2.78Å; R37-E40 IonicContact NH1-OE2 2.65Å; R37-E40 PolarHBondContact NH1-OE2 3.44Å; R37-E40 PolarHBondContact O-N 2.82Å; L38-E40 PolarHBondContact O-N 2.96Å |
| 41 | V | 79.5 | Confident | 83.8 | Confident | 18 Ų | 18 | 62.6 Ų | 62.6 | 11% | 0.109 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -81.9 | 128 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | L38 K39 A43 F44 E45 L84 | L38-V41 HydrophobicContact CD2-CG2 4.41Å; L38-V41 WeakPolarHBondContact O-CB 3.4Å; L38-V41 PolarHBondContact O-N 3.08Å; K39-V41 VanDerWaalsContact C-N 3.31Å; V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 HydrophobicContact CG1-CB 4.43Å; V41-A43 PolarHBondContact O-N 2.78Å; V41-F44 HydrophobicContact CB-CD2 3.74Å; V41-F44 HydrophobicContact CB-CE2 4.31Å; V41-F44 HydrophobicContact CB-CG 4.48Å; V41-F44 HydrophobicContact CG1-CD2 4.05Å; V41-F44 HydrophobicContact CG1-CE2 4.25Å; V41-F44 HydrophobicContact CG2-CD2 4.34Å; V41-F44 CarbonylContact O-C 3.53Å; V41-F44 WeakPolarHBondContact O-CA 3.28Å; V41-F44 PolarHBondContact O-N 2.96Å; V41-E45 PolarHBondContact O-N 3.06Å; V41-L84 HydrophobicContact CG2-CD2 4Å |
| 42 | K | 72.9 | Confident | 83.9 | Confident | 85 Ų | 85 | 62.7 Ų | 62.7 | 37% | 0.37 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -54.3 | -41.2 | -174.3 | -165.3 | 173.2 | -177.5 | 179.6 | 0 | 114.2 | F44 E45 E399 | K42-F44 PolarHBondContact O-N 2.91Å; K42-F44 VanDerWaalsContact O-N 3.12Å; K42-E45 WeakPolarHBondContact O-CB 3.3Å; K42-E45 PolarHBondContact O-N 2.86Å; K42-E399 IonicContact NZ-OE2 2.99Å; K42-E399 PolarHBondContact NZ-OE2 3.13Å |
| 43 | A | 74.8 | Confident | 84.3 | Confident | 8 Ų | 8 | 61.8 Ų | 61.8 | 7% | 0.066 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -55.5 | -28.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | V41 G110 A112 L157 | V41-A43 VanDerWaalsContact C-N 3.32Å; V41-A43 HydrophobicContact CG1-CB 4.43Å; V41-A43 PolarHBondContact O-N 2.78Å; A43-G110 WeakPolarHBondContact CB-O 3.3Å; A43-G110 PolarHBondContact N-O 3.44Å; A43-A112 HydrophobicContact CB-CB 4.35Å; A43-L157 HydrophobicContact CB-CD1 4.01Å; A43-L157 HydrophobicContact CB-CD2 4.36Å |
| 44 | F | 84.3 | Confident | 84.7 | Confident | 2 Ų | 2 | 62.9 Ų | 62.9 | 1% | 0.009 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -103.4 | -4.4 | -175.1 | -56.3 | -37.5 | 0 | 0 | 0 | 113.5 | L38 V41 K42 K46 F47 L52 I55 W80 A82 L136 | L38-F44 HydrophobicContact CB-CD2 4.08Å; L38-F44 HydrophobicContact CB-CE2 4.49Å; L38-F44 HydrophobicContact CD2-CE2 4.24Å; L38-F44 WeakPolarHBondContact O-CD2 3.4Å; V41-F44 HydrophobicContact CB-CD2 3.74Å; V41-F44 HydrophobicContact CB-CE2 4.31Å; V41-F44 HydrophobicContact CB-CG 4.48Å; V41-F44 HydrophobicContact CG1-CD2 4.05Å; V41-F44 HydrophobicContact CG1-CE2 4.25Å; V41-F44 HydrophobicContact CG2-CD2 4.34Å; V41-F44 CarbonylContact O-C 3.53Å; V41-F44 WeakPolarHBondContact O-CA 3.28Å; V41-F44 PolarHBondContact O-N 2.96Å; K42-F44 PolarHBondContact O-N 2.91Å; K42-F44 VanDerWaalsContact O-N 3.12Å; F44-K46 PolarHBondContact O-N 3.12Å; F44-F47 HydrophobicContact CB-CD2 4.38Å; F44-F47 AromaticContact CD1-CD2 3.51Å; F44-F47 HydrophobicContact CD1-CD2 3.51Å; F44-F47 AromaticContact CD1-CE2 3.44Å; F44-F47 HydrophobicContact CD1-CE2 3.44Å; F44-F47 VanDerWaalsContact CD1-CE2 3.44Å; F44-F47 HydrophobicContact CD1-CG 4.32Å; F44-F47 HydrophobicContact CD1-CZ 4.21Å; F44-F47 HydrophobicContact CE1-CD2 4.23Å; F44-F47 AromaticContact CE1-CE2 3.76Å; F44-F47 HydrophobicContact CE1-CE2 3.76Å; F44-F47 HydrophobicContact CG-CD2 4.32Å; F44-F47 WeakPolarHBondContact O-CB 3.26Å; F44-F47 PolarHBondContact O-N 2.91Å; F44-L52 HydrophobicContact CB-CD1 3.89Å; F44-L52 HydrophobicContact CD1-CD1 4.48Å; F44-L52 HydrophobicContact CD2-CD1 4Å; F44-L52 HydrophobicContact CG-CD1 3.88Å; F44-I55 HydrophobicContact CD1-CD1 4.43Å; F44-I55 HydrophobicContact CE1-CD1 4.13Å; F44-W80 AromaticContact CE1-CH2 3.67Å; F44-W80 HydrophobicContact CE1-CH2 3.67Å; F44-W80 HydrophobicContact CE1-CZ3 4.31Å; F44-W80 AromaticContact CZ-CH2 3.91Å; F44-W80 HydrophobicContact CZ-CH2 3.91Å; F44-W80 HydrophobicContact CZ-CZ3 4.24Å; F44-A82 HydrophobicContact CE2-CB 4.32Å; F44-A82 HydrophobicContact CZ-CB 3.71Å; F44-L136 HydrophobicContact CE2-CD2 3.82Å; F44-L136 HydrophobicContact CZ-CD2 3.74Å |
| 45 | E | 72.8 | Confident | 84.9 | Confident | 139 Ų | 139 | 62.9 Ų | 62.9 | 65% | 0.65 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -38.1 | -176.6 | -174.2 | -179.6 | -169.8 | 0 | 0 | 112.1 | V41 K42 | V41-E45 PolarHBondContact O-N 3.06Å; K42-E45 WeakPolarHBondContact O-CB 3.3Å; K42-E45 PolarHBondContact O-N 2.86Å |
| 46 | K | 73 | Confident | 85.1 | Confident | 160 Ų | 160 | 60.9 Ų | 60.9 | 70% | 0.696 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -0.1 | 179.3 | -62.1 | -178.2 | -177.6 | 174.6 | 0 | 113.5 | F44 | F44-K46 PolarHBondContact O-N 3.12Š|
| 47 | F | 84.9 | Confident | 85.5 | Confident | 17 Ų | 17 | 59.3 Ų | 59.3 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -76.6 | 137.4 | -178.3 | -78.4 | 8.6 | 0 | 0 | 0 | 111.3 | F44 L51 I55 M154 L157 | F44-F47 HydrophobicContact CB-CD2 4.38Å; F44-F47 AromaticContact CD1-CD2 3.51Å; F44-F47 HydrophobicContact CD1-CD2 3.51Å; F44-F47 AromaticContact CD1-CE2 3.44Å; F44-F47 HydrophobicContact CD1-CE2 3.44Å; F44-F47 VanDerWaalsContact CD1-CE2 3.44Å; F44-F47 HydrophobicContact CD1-CG 4.32Å; F44-F47 HydrophobicContact CD1-CZ 4.21Å; F44-F47 HydrophobicContact CE1-CD2 4.23Å; F44-F47 AromaticContact CE1-CE2 3.76Å; F44-F47 HydrophobicContact CE1-CE2 3.76Å; F44-F47 HydrophobicContact CG-CD2 4.32Å; F44-F47 WeakPolarHBondContact O-CB 3.26Å; F44-F47 PolarHBondContact O-N 2.91Å; F47-L51 HydrophobicContact CB-CD2 4.09Å; F47-L51 HydrophobicContact CB-CG 4.43Å; F47-L51 HydrophobicContact CD1-CD2 3.96Å; F47-L51 HydrophobicContact CD2-CD2 3.49Å; F47-L51 VanDerWaalsContact CD2-CD2 3.49Å; F47-L51 HydrophobicContact CD2-CG 3.77Å; F47-L51 HydrophobicContact CE1-CD2 4.18Å; F47-L51 HydrophobicContact CE2-CD2 3.74Å; F47-L51 HydrophobicContact CE2-CG 4.2Å; F47-L51 HydrophobicContact CG-CD2 3.59Å; F47-L51 HydrophobicContact CG-CG 4.2Å; F47-L51 HydrophobicContact CZ-CD2 4.06Å; F47-I55 HydrophobicContact CD2-CD1 3.67Å; F47-I55 HydrophobicContact CE2-CD1 3.51Å; F47-M154 HydrophobicContact CE1-CG 4.36Å; F47-M154 HydrophobicContact CZ-CG 4.16Å; F47-L157 HydrophobicContact CE1-CB 4.25Å; F47-L157 HydrophobicContact CE1-CD2 3.71Å; F47-L157 HydrophobicContact CE2-CD2 4.42Å; F47-L157 HydrophobicContact CZ-CD2 3.39Å |
| 48 | H | 87.6 | Confident | 85.9 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 30% | 0.301 | 27% | 0.265 | S | S | . | . | trans | -59.3 | 138.1 | 170.8 | -172 | -80.4 | 0 | 0 | 0 | 109.7 | N50 L51 L52 Y153 | H48-N50 PolarHBondContact CE1-ND2 2.88Å; H48-N50 VanDerWaalsContact CE1-ND2 3.33Å; H48-N50 WeakPolarHBondContact ND1-CB 3.36Å; H48-N50 PolarHBondContact ND1-N 2.83Å; H48-N50 VanDerWaalsContact ND1-N 3.15Å; H48-N50 PolarHBondContact O-N 2.57Å; H48-N50 VanDerWaalsContact O-N 3.09Å; H48-L51 WeakPolarHBondContact O-CA 3.43Å; H48-L51 WeakPolarHBondContact O-CB 3.25Å; H48-L51 PolarHBondContact O-N 3.24Å; H48-L52 PolarHBondContact O-N 2.93Å; H48-Y153 HydrophobicContact CB-CD1 3.96Å; H48-Y153 HydrophobicContact CB-CD2 4.18Å; H48-Y153 HydrophobicContact CB-CE1 3.98Å; H48-Y153 HydrophobicContact CB-CE2 4.19Å; H48-Y153 HydrophobicContact CB-CG 4.06Å | ||
| 49 | P | 89.6 | Confident | 86.2 | Confident | 73 Ų | 73 | 54.9 Ų | 54.9 | 47% | 0.474 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -50.2 | -41.5 | -178 | -31.4 | 36 | 0 | 0 | 0 | 113.8 | F35 L51 L52 H53 | F35-P49 HydrophobicContact CE2-CB 4.38Å; F35-P49 WeakPolarHBondContact CE2-O 3.46Å; F35-P49 HydrophobicContact CZ-CB 4.09Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 3Å; P49-L52 PolarHBondContact O-N 2.64Å; P49-H53 WeakPolarHBondContact O-CB 3.32Å; P49-H53 PolarHBondContact O-N 2.72Å |
| 50 | N | 91 | Very high | 86.6 | Confident | 94 Ų | 94 | 51.3 Ų | 51.3 | 50% | 0.503 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -38.4 | 175.5 | -63.3 | -14.1 | 0 | 0 | 0 | 113.6 | H48 Q54 Y150 | H48-N50 PolarHBondContact CE1-ND2 2.88Å; H48-N50 VanDerWaalsContact CE1-ND2 3.33Å; H48-N50 WeakPolarHBondContact ND1-CB 3.36Å; H48-N50 PolarHBondContact ND1-N 2.83Å; H48-N50 VanDerWaalsContact ND1-N 3.15Å; H48-N50 PolarHBondContact O-N 2.57Å; H48-N50 VanDerWaalsContact O-N 3.09Å; N50-Q54 WeakPolarHBondContact O-CG 3.38Å; N50-Q54 PolarHBondContact O-N 2.9Å; N50-Q54 VanDerWaalsContact O-N 3.12Å; N50-Y150 HydrophobicContact CB-CE1 4.33Å |
| 51 | L | 91.6 | Very high | 87.3 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.2 | -47.8 | 176.6 | 167.9 | 57.5 | 0 | 0 | 0 | 110.1 | F47 H48 P49 H53 Q54 I55 L146 Y150 M154 | F47-L51 HydrophobicContact CB-CD2 4.09Å; F47-L51 HydrophobicContact CB-CG 4.43Å; F47-L51 HydrophobicContact CD1-CD2 3.96Å; F47-L51 HydrophobicContact CD2-CD2 3.49Å; F47-L51 VanDerWaalsContact CD2-CD2 3.49Å; F47-L51 HydrophobicContact CD2-CG 3.77Å; F47-L51 HydrophobicContact CE1-CD2 4.18Å; F47-L51 HydrophobicContact CE2-CD2 3.74Å; F47-L51 HydrophobicContact CE2-CG 4.2Å; F47-L51 HydrophobicContact CG-CD2 3.59Å; F47-L51 HydrophobicContact CG-CG 4.2Å; F47-L51 HydrophobicContact CZ-CD2 4.06Å; H48-L51 WeakPolarHBondContact O-CA 3.43Å; H48-L51 WeakPolarHBondContact O-CB 3.25Å; H48-L51 PolarHBondContact O-N 3.24Å; P49-L51 VanDerWaalsContact C-N 3.33Å; P49-L51 PolarHBondContact O-N 3Å; L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 3.18Å; L51-Q54 PolarHBondContact O-N 2.89Å; L51-I55 HydrophobicContact CD1-CD1 4.13Å; L51-I55 HydrophobicContact CD1-CG1 4.3Å; L51-I55 HydrophobicContact CG-CD1 4.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.49Å; L51-I55 PolarHBondContact O-N 3.42Å; L51-L146 HydrophobicContact CD1-CB 4.31Å; L51-L146 HydrophobicContact CD1-CD2 4.12Å; L51-Y150 HydrophobicContact CB-CD1 4.06Å; L51-Y150 HydrophobicContact CB-CD2 4.29Å; L51-Y150 HydrophobicContact CB-CE1 4.39Å; L51-Y150 HydrophobicContact CB-CG 4.01Å; L51-Y150 HydrophobicContact CD1-CD2 3.73Å; L51-Y150 HydrophobicContact CD1-CE2 4.39Å; L51-Y150 HydrophobicContact CD1-CG 3.98Å; L51-Y150 HydrophobicContact CG-CG 4.39Å; L51-M154 HydrophobicContact CD1-CE 3.36Å; L51-M154 HydrophobicContact CD2-CE 3.75Å; L51-M154 HydrophobicContact CD2-CG 3.93Å; L51-M154 HydrophobicContact CG-CE 4.16Å |
| 52 | L | 91.9 | Very high | 87.9 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 178.7 | -173.4 | 60.6 | 0 | 0 | 0 | 111.8 | F35 L38 K39 F44 H48 P49 Q54 I55 C56 | F35-L52 HydrophobicContact CD2-CB 4.22Å; F35-L52 HydrophobicContact CD2-CD2 3.98Å; F35-L52 HydrophobicContact CD2-CG 3.9Å; F35-L52 HydrophobicContact CE2-CB 3.81Å; F35-L52 HydrophobicContact CE2-CD2 3.73Å; F35-L52 HydrophobicContact CE2-CG 3.87Å; F35-L52 HydrophobicContact CZ-CD2 4.07Å; L38-L52 HydrophobicContact CB-CD1 3.79Å; L38-L52 HydrophobicContact CB-CG 4.47Å; L38-L52 HydrophobicContact CD1-CD1 4.44Å; K39-L52 HydrophobicContact CB-CD2 3.8Å; K39-L52 HydrophobicContact CG-CD2 4.37Å; F44-L52 HydrophobicContact CB-CD1 3.89Å; F44-L52 HydrophobicContact CD1-CD1 4.48Å; F44-L52 HydrophobicContact CD2-CD1 4Å; F44-L52 HydrophobicContact CG-CD1 3.88Å; H48-L52 PolarHBondContact O-N 2.93Å; P49-L52 PolarHBondContact O-N 2.64Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3.2Å; L52-I55 WeakPolarHBondContact O-CB 3.29Å; L52-I55 PolarHBondContact O-N 2.78Å; L52-C56 PolarHBondContact O-N 2.9Å; L52-C56 PolarHBondContact O-SG 3.42Å |
| 53 | H | 92.7 | Very high | 88.8 | Confident | 73 Ų | 73 | 49 Ų | 49 | 34% | 0.338 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.3 | -38.8 | 173.3 | -173.8 | -60.5 | 0 | 0 | 0 | 112.3 | F35 P49 L51 C56 L57 | F35-H53 HydrophobicContact CD2-CB 4.4Å; P49-H53 WeakPolarHBondContact O-CB 3.32Å; P49-H53 PolarHBondContact O-N 2.72Å; L51-H53 VanDerWaalsContact C-N 3.28Å; L51-H53 PolarHBondContact O-N 3.18Å; H53-C56 WeakPolarHBondContact O-CB 3.49Å; H53-C56 PolarHBondContact O-N 2.77Å; H53-L57 PolarHBondContact O-N 3.46Å |
| 54 | Q | 93.4 | Very high | 89.7 | Confident | 71 Ų | 71 | 49.9 Ų | 49.9 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -67.6 | -38.1 | 174.9 | -64.4 | -60.5 | -68.1 | 0 | 0 | 111.8 | N50 L51 L52 C56 L57 C58 L146 Y150 | N50-Q54 WeakPolarHBondContact O-CG 3.38Å; N50-Q54 PolarHBondContact O-N 2.9Å; N50-Q54 VanDerWaalsContact O-N 3.12Å; L51-Q54 PolarHBondContact O-N 2.89Å; L52-Q54 VanDerWaalsContact C-N 3.33Å; L52-Q54 PolarHBondContact O-N 3.2Å; Q54-C56 VanDerWaalsContact C-N 3.3Å; Q54-C56 PolarHBondContact O-N 2.85Å; Q54-L57 WeakPolarHBondContact O-CB 3.41Å; Q54-L57 PolarHBondContact O-N 2.9Å; Q54-L57 VanDerWaalsContact O-N 3.09Å; Q54-C58 PolarHBondContact O-N 3.17Å; Q54-C58 PolarHBondContact O-SG 3.2Å; Q54-C58 VanDerWaalsContact O-SG 3.34Å; Q54-L146 HydrophobicContact CB-CD2 3.39Å; Q54-L146 HydrophobicContact CG-CD2 4.18Å; Q54-Y150 HydrophobicContact CG-CE2 4.23Å |
| 55 | I | 93.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 173.2 | -68.1 | 169.6 | 0 | 0 | 0 | 111 | L38 F44 F47 L51 L52 L57 C58 G59 L136 I138 L146 | L38-I55 HydrophobicContact CD1-CG2 4.17Å; F44-I55 HydrophobicContact CD1-CD1 4.43Å; F44-I55 HydrophobicContact CE1-CD1 4.13Å; F47-I55 HydrophobicContact CD2-CD1 3.67Å; F47-I55 HydrophobicContact CE2-CD1 3.51Å; L51-I55 HydrophobicContact CD1-CD1 4.13Å; L51-I55 HydrophobicContact CD1-CG1 4.3Å; L51-I55 HydrophobicContact CG-CD1 4.17Å; L51-I55 WeakPolarHBondContact O-CG1 3.49Å; L51-I55 PolarHBondContact O-N 3.42Å; L52-I55 WeakPolarHBondContact O-CB 3.29Å; L52-I55 PolarHBondContact O-N 2.78Å; I55-L57 PolarHBondContact O-N 3.12Å; I55-C58 PolarHBondContact O-N 3.49Å; I55-G59 WeakPolarHBondContact O-CA 3.46Å; I55-G59 PolarHBondContact O-N 3.38Å; I55-L136 HydrophobicContact CG2-CD2 3.6Å; I55-I138 HydrophobicContact CB-CD1 4.41Å; I55-I138 HydrophobicContact CG1-CD1 3.97Å; I55-I138 HydrophobicContact CG2-CD1 3.9Å; I55-L146 HydrophobicContact CG1-CD1 3.93Å |
| 56 | C | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -29.4 | 176 | -61.9 | 0 | 0 | 0 | 0 | 112.6 | R26 V31 I34 F35 L52 H53 Q54 | R26-C56 PolarHBondContact NH1-O 2.76Å; V31-C56 HydrophobicContact CG1-CB 3.83Å; I34-C56 HydrophobicContact CB-CB 4.29Å; I34-C56 HydrophobicContact CG2-CB 3.95Å; F35-C56 VanDerWaalsContact CA-SG 3.56Å; L52-C56 PolarHBondContact O-N 2.9Å; L52-C56 PolarHBondContact O-SG 3.42Å; H53-C56 WeakPolarHBondContact O-CB 3.49Å; H53-C56 PolarHBondContact O-N 2.77Å; Q54-C56 VanDerWaalsContact C-N 3.3Å; Q54-C56 PolarHBondContact O-N 2.85Å |
| 57 | L | 92.2 | Very high | 91.6 | Very high | 59 Ų | 59 | 52.3 Ų | 52.3 | 31% | 0.309 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -77 | -36.9 | 178.9 | -73.4 | 166.6 | 0 | 0 | 0 | 112.6 | P23 R26 V31 H53 Q54 I55 | P23-L57 VanDerWaalsContact CB-O 3.29Å; P23-L57 WeakPolarHBondContact CB-O 3.2Å; R26-L57 PolarHBondContact NH1-O 3.34Å; R26-L57 VanDerWaalsContact NH1-O 3.16Å; V31-L57 HydrophobicContact CG2-CD2 3.64Å; V31-L57 HydrophobicContact CG2-CG 4.26Å; H53-L57 PolarHBondContact O-N 3.46Å; Q54-L57 WeakPolarHBondContact O-CB 3.41Å; Q54-L57 PolarHBondContact O-N 2.9Å; Q54-L57 VanDerWaalsContact O-N 3.09Å; I55-L57 PolarHBondContact O-N 3.12Å |
| 58 | C | 93.6 | Very high | 92.1 | Very high | 15 Ų | 15 | 55.1 Ų | 55.1 | 10% | 0.101 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -109.9 | -11.1 | -172.8 | 68.3 | 0 | 0 | 0 | 0 | 115.5 | Q54 I55 Y60 D142 | Q54-C58 PolarHBondContact O-N 3.17Å; Q54-C58 PolarHBondContact O-SG 3.2Å; Q54-C58 VanDerWaalsContact O-SG 3.34Å; I55-C58 PolarHBondContact O-N 3.49Å; C58-Y60 WeakPolarHBondContact O-CD2 3.22Å; C58-Y60 WeakPolarHBondContact O-CE2 3.5Å; C58-D142 HydrophobicContact CB-CB 4.09Å |
| 59 | G | 93.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -73.1 | 146.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | R26 I55 | R26-G59 VanDerWaalsContact CZ-O 3.27Å; R26-G59 PolarHBondContact NH1-O 3.18Å; R26-G59 PolarHBondContact NH2-O 2.92Å; I55-G59 WeakPolarHBondContact O-CA 3.46Å; I55-G59 PolarHBondContact O-N 3.38Å | ||
| 60 | Y | 94.2 | Very high | 92.7 | Very high | 60 Ų | 60 | 52.6 Ų | 52.6 | 24% | 0.235 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 147.2 | 175.8 | -65 | -92.4 | 0 | 0 | 0 | 110.4 | P23 C58 L136 R137 E139 | P23-Y60 HydrophobicContact CG-CE1 4.08Å; P23-Y60 HydrophobicContact CG-CE2 4.31Å; C58-Y60 WeakPolarHBondContact O-CD2 3.22Å; C58-Y60 WeakPolarHBondContact O-CE2 3.5Å; Y60-L136 CarbonylContact O-C 3.6Å; Y60-L136 WeakPolarHBondContact O-CA 3.48Å; Y60-R137 PolarHBondContact N-O 2.83Å; Y60-R137 PolarHBondContact O-N 2.59Å; Y60-E139 HydrophobicContact CD2-CG 4.43Å; Y60-E139 HydrophobicContact CE2-CG 3.99Å |
| 61 | Y | 93.7 | Very high | 92.9 | Very high | 34 Ų | 34 | 49.1 Ų | 49.1 | 13% | 0.133 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.1 | 173.7 | 179.2 | -105.1 | 0 | 0 | 0 | 110.8 | W15 I16 L19 N63 L84 E134 | W15-Y61 HydrophobicContact CH2-CD2 4.23Å; W15-Y61 AromaticContact CH2-CE2 3.91Å; W15-Y61 HydrophobicContact CH2-CE2 3.91Å; W15-Y61 HydrophobicContact CZ3-CD2 4.13Å; W15-Y61 HydrophobicContact CZ3-CE2 4.28Å; I16-Y61 HydrophobicContact CD1-CE2 4.33Å; I16-Y61 HydrophobicContact CG1-CE2 4.22Å; I16-Y61 HydrophobicContact CG2-CD1 3.63Å; I16-Y61 HydrophobicContact CG2-CE1 3.52Å; I16-Y61 HydrophobicContact CG2-CE2 4.43Å; I16-Y61 HydrophobicContact CG2-CG 4.13Å; L19-Y61 HydrophobicContact CD1-CD2 4.43Å; Y61-N63 HydrophobicContact CE1-CB 3.79Å; Y61-L84 HydrophobicContact CD2-CD1 4.26Å; Y61-L84 HydrophobicContact CE2-CD1 4.46Å; Y61-E134 HydrophobicContact CE2-CB 3.9Å; Y61-E134 HydrophobicContact CE2-CG 4.22Å; Y61-E134 WeakPolarHBondContact CE2-OE2 3.05Å; Y61-E134 VanDerWaalsContact OH-CG 3.26Å; Y61-E134 WeakPolarHBondContact OH-CG 3.41Å; Y61-E134 PolarHBondContact OH-OE2 2.65Å |
| 62 | E | 92.8 | Very high | 93 | Very high | 50 Ų | 50 | 55 Ų | 55 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 125.8 | 175.4 | -68.9 | -80.8 | -170.9 | 0 | 0 | 108.7 | L64 E134 L135 R137 | E62-L64 HydrophobicContact CB-CG 4.4Å; E62-E134 CarbonylContact O-C 3.39Å; E62-E134 VanDerWaalsContact O-CA 3.29Å; E62-E134 WeakPolarHBondContact O-CA 3.16Å; E62-L135 HydrophobicContact CB-CB 4.18Å; E62-L135 PolarHBondContact N-O 3.37Å; E62-L135 PolarHBondContact O-N 3.03Å; E62-R137 HydrophobicContact CG-CB 4.09Å; E62-R137 WeakPolarHBondContact OE1-CD 3.28Å; E62-R137 IonicContact OE1-CZ 2.72Å; E62-R137 IonicContact OE1-NE 3.4Å; E62-R137 IonicContact OE1-NH1 3.69Å; E62-R137 PolarHBondContact OE1-NH1 2.93Å |
| 63 | N | 92.2 | Very high | 93 | Very high | 103 Ų | 103 | 56.3 Ų | 56.3 | 55% | 0.551 | 28% | 0.278 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115 | 105.7 | 171.4 | -175.5 | 0.5 | 0 | 0 | 0 | 108.7 | Y61 | Y61-N63 HydrophobicContact CE1-CB 3.79Å |
| 64 | L | 92.3 | Very high | 92.9 | Very high | 28 Ų | 28 | 55.2 Ų | 55.2 | 15% | 0.147 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 133.8 | -171.1 | -58.3 | -179.4 | 0 | 0 | 0 | 110.5 | E62 I68 L70 T129 S132 S133 L135 | E62-L64 HydrophobicContact CB-CG 4.4Å; L64-I68 HydrophobicContact CD1-CG2 4.48Å; L64-I68 HydrophobicContact CD2-CG2 4.41Å; L64-L70 HydrophobicContact CD1-CD1 3.6Å; L64-L70 HydrophobicContact CD1-CG 3.98Å; L64-T129 HydrophobicContact CB-CG2 3.84Å; L64-T129 HydrophobicContact CD1-CG2 3.98Å; L64-S132 CarbonylContact O-C 3.55Å; L64-S132 VanDerWaalsContact O-CA 3.29Å; L64-S132 WeakPolarHBondContact O-CA 3.37Å; L64-S133 PolarHBondContact N-O 2.85Å; L64-S133 PolarHBondContact O-N 3.26Å; L64-L135 HydrophobicContact CD1-CD1 3.73Å |
| 65 | E | 89.9 | Confident | 92.9 | Very high | 150 Ų | 150 | 55 Ų | 55 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | trans | -69.9 | 167.3 | 172.9 | -64.3 | -171.9 | 174 | 0 | 0 | 112 | I68 T129 | E65-I68 HydrophobicContact CB-CG1 4.37Å; E65-I68 VanDerWaalsContact O-CG1 3.29Å; E65-I68 WeakPolarHBondContact O-CG1 3.06Å; E65-T129 WeakPolarHBondContact O-CB 3.44Å; E65-T129 PolarHBondContact O-OG1 3.17Å | ||
| 66 | K | 89.2 | Confident | 92.9 | Very high | 154 Ų | 154 | 61.4 Ų | 61.4 | 67% | 0.67 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 135.2 | 174.6 | 174.8 | 170.9 | -179.7 | 175.6 | 0 | 111.8 | R130 | K66-R130 VanDerWaalsContact CD-O 3.26Å; K66-R130 WeakPolarHBondContact CD-O 3.31Å; K66-R130 WeakPolarHBondContact CE-O 3.39Å; K66-R130 VanDerWaalsContact CG-O 3.3Å; K66-R130 WeakPolarHBondContact CG-O 3.49Å |
| 67 | G | 91.3 | Very high | 92.8 | Very high | 47 Ų | 47 | 61.7 Ų | 61.7 | 49% | 0.485 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | 4.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | T129 | G67-T129 WeakPolarHBondContact CA-O 3.35Å; G67-T129 PolarHBondContact N-O 2.98Å; G67-T129 PolarHBondContact N-OG1 3.41Å |
| 68 | I | 96.2 | Very high | 92.9 | Very high | 76 Ų | 76 | 62.9 Ų | 62.9 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | trans | -75.3 | 127.4 | 177.3 | -62.3 | -63.4 | 0 | 0 | 0 | 109.8 | L64 E65 V128 T129 | L64-I68 HydrophobicContact CD1-CG2 4.48Å; L64-I68 HydrophobicContact CD2-CG2 4.41Å; E65-I68 HydrophobicContact CB-CG1 4.37Å; E65-I68 VanDerWaalsContact O-CG1 3.29Å; E65-I68 WeakPolarHBondContact O-CG1 3.06Å; I68-V128 CarbonylContact O-C 3.5Å; I68-V128 VanDerWaalsContact O-CA 3.31Å; I68-V128 WeakPolarHBondContact O-CA 2.94Å; I68-T129 HydrophobicContact CB-CG2 4.42Å; I68-T129 PolarHBondContact N-OG1 3.37Å; I68-T129 PolarHBondContact O-N 3.18Å; I68-T129 PolarHBondContact O-OG1 3.47Å | ||
| 69 | T | 95.7 | Very high | 93 | Very high | 52 Ų | 52 | 63 Ų | 63 | 32% | 0.319 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 116.4 | 174.1 | -56.1 | 0 | 0 | 0 | 0 | 109.5 | F71 R72 T126 I127 V128 | T69-F71 WeakPolarHBondContact CG2-O 3.49Å; T69-R72 HydrophobicContact CG2-CG 3.99Å; T69-T126 HydrophobicContact CG2-CG2 3.81Å; T69-I127 WeakPolarHBondContact CA-O 3.15Å; T69-V128 HydrophobicContact CG2-CG2 4.28Å |
| 70 | L | 94.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 63.1 Ų | 63.1 | 18% | 0.178 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | -44.4 | 178.1 | -81.1 | 68.4 | 0 | 0 | 0 | 111.3 | L64 Y81 L88 F113 I127 T129 L135 | L64-L70 HydrophobicContact CD1-CD1 3.6Å; L64-L70 HydrophobicContact CD1-CG 3.98Å; L70-Y81 HydrophobicContact CD2-CD1 4.12Å; L70-Y81 HydrophobicContact CD2-CE1 4.01Å; L70-Y81 HydrophobicContact CD2-CE2 4.46Å; L70-Y81 HydrophobicContact CD2-CG 4.37Å; L70-L88 HydrophobicContact CD1-CD2 3.73Å; L70-L88 HydrophobicContact CD2-CD2 3.99Å; L70-F113 HydrophobicContact CD2-CE2 3.99Å; L70-F113 HydrophobicContact CD2-CZ 3.8Å; L70-I127 PolarHBondContact N-O 2.76Å; L70-T129 HydrophobicContact CD1-CG2 3.86Å; L70-L135 HydrophobicContact CD2-CD1 3.65Å; L70-L135 HydrophobicContact CG-CD1 4.46Å |
| 71 | F | 94.7 | Very high | 93.2 | Very high | 21 Ų | 21 | 61.1 Ų | 61.1 | 9% | 0.092 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 159.7 | 175.9 | 50 | -102.9 | 0 | 0 | 0 | 109.6 | T69 Y81 F113 R123 A125 T126 I127 | T69-F71 WeakPolarHBondContact CG2-O 3.49Å; F71-Y81 HydrophobicContact CD1-CE2 4.36Å; F71-Y81 HydrophobicContact CE1-CD2 4.33Å; F71-Y81 AromaticContact CE1-CE2 3.95Å; F71-Y81 HydrophobicContact CE1-CE2 3.95Å; F71-F113 HydrophobicContact CE1-CD2 4.39Å; F71-F113 HydrophobicContact CE1-CE2 4.03Å; F71-F113 HydrophobicContact CZ-CD2 4.14Å; F71-F113 HydrophobicContact CZ-CE2 4.13Å; F71-R123 HydrophobicContact CB-CG 4.33Å; F71-R123 HydrophobicContact CD2-CB 3.82Å; F71-R123 HydrophobicContact CD2-CG 3.46Å; F71-R123 VanDerWaalsContact CD2-CG 3.46Å; F71-R123 HydrophobicContact CE2-CB 4.07Å; F71-R123 HydrophobicContact CE2-CG 3.81Å; F71-R123 HydrophobicContact CG-CG 3.93Å; F71-A125 WeakPolarHBondContact CE2-O 3.45Å; F71-T126 WeakPolarHBondContact O-CA 3.41Å; F71-I127 HydrophobicContact CE1-CD1 4.37Å; F71-I127 HydrophobicContact CE2-CB 4.13Å; F71-I127 HydrophobicContact CE2-CD1 3.8Å; F71-I127 HydrophobicContact CE2-CG1 3.68Å; F71-I127 HydrophobicContact CZ-CB 4.19Å; F71-I127 HydrophobicContact CZ-CD1 3.45Å; F71-I127 VanDerWaalsContact CZ-CD1 3.45Å; F71-I127 HydrophobicContact CZ-CG1 3.82Å; F71-I127 PolarHBondContact O-N 3Å |
| 72 | R | 94 | Very high | 93.2 | Very high | 122 Ų | 122 | 59.5 Ų | 59.5 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | trans | -102 | 156.2 | 175.7 | -65 | -177.2 | 177.1 | 80.1 | 2.7 | 111.3 | T69 G74 D75 R123 T126 | T69-R72 HydrophobicContact CG2-CG 3.99Å; R72-G74 PolarHBondContact O-N 3.25Å; R72-D75 WeakPolarHBondContact CB-OD2 3.33Å; R72-D75 PolarHBondContact N-OD2 3.37Å; R72-D75 VanDerWaalsContact O-CB 3.3Å; R72-D75 WeakPolarHBondContact O-CB 3.44Å; R72-D75 PolarHBondContact O-N 3.42Å; R72-D75 VanDerWaalsContact O-N 3.12Å; R72-R123 WeakPolarHBondContact O-CB 3.35Å; R72-T126 WeakPolarHBondContact CA-OG1 3.36Å; R72-T126 HydrophobicContact CG-CG2 4.18Å | ||
| 73 | Q | 90.9 | Very high | 93.1 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.154 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | 131.9 | 169.3 | 177.5 | 177.2 | -20.9 | 0 | 0 | 110 | S93 H98 R123 A125 T126 | Q73-S93 PolarHBondContact NE2-O 3.39Å; Q73-S93 PolarHBondContact OE1-O 3.42Å; Q73-H98 PolarHBondContact O-CE1 3.01Å; Q73-R123 CarbonylContact C-O 3.58Å; Q73-R123 WeakPolarHBondContact CA-O 3.26Å; Q73-A125 PolarHBondContact N-O 3.24Å; Q73-T126 PolarHBondContact N-OG1 3.18Å |
| 74 | G | 90.9 | Very high | 92.9 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 52% | 0.515 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | -14.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R72 R123 | R72-G74 PolarHBondContact O-N 3.25Å; G74-R123 PolarHBondContact N-O 3.45Å |
| 75 | D | 93.3 | Very high | 92.7 | Very high | 66 Ų | 66 | 52.9 Ų | 52.9 | 35% | 0.353 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 152.9 | 175.7 | -69.5 | -13.2 | 0 | 0 | 0 | 111.2 | R72 G77 P122 R123 | R72-D75 WeakPolarHBondContact CB-OD2 3.33Å; R72-D75 PolarHBondContact N-OD2 3.37Å; R72-D75 VanDerWaalsContact O-CB 3.3Å; R72-D75 WeakPolarHBondContact O-CB 3.44Å; R72-D75 PolarHBondContact O-N 3.42Å; R72-D75 VanDerWaalsContact O-N 3.12Å; D75-G77 PolarHBondContact O-N 2.95Å; D75-P122 WeakPolarHBondContact O-CA 3.49Å; D75-R123 HydrophobicContact CB-CG 4.35Å; D75-R123 WeakPolarHBondContact O-CG 3.44Å; D75-R123 PolarHBondContact O-N 3.16Å |
| 76 | I | 93 | Very high | 92.6 | Very high | 136 Ų | 136 | 46.3 Ų | 46.3 | 70% | 0.697 | 26% | 0.26 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 118 | 168.1 | -60 | 177.1 | 0 | 0 | 0 | 108 | ||
| 77 | G | 90.8 | Very high | 92.5 | Very high | 5 Ų | 5 | 39.5 Ų | 39.5 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | P | Polyproline II helix | trans | -72.3 | 139.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | D75 I117 R123 | D75-G77 PolarHBondContact O-N 2.95Å; G77-I117 VanDerWaalsContact O-CG2 3.3Å; G77-I117 WeakPolarHBondContact O-CG2 3.37Å; G77-R123 VanDerWaalsContact CA-CZ 3.45Å; G77-R123 VanDerWaalsContact CA-NE 3.35Å |
| 78 | T | 94.4 | Very high | 92.6 | Very high | 84 Ų | 84 | 37.2 Ų | 37.2 | 52% | 0.515 | 21% | 0.209 | S | C | . | . | trans | -115.2 | -15.2 | 179 | 54.5 | 0 | 0 | 0 | 0 | 113.9 | Q140 | T78-Q140 VanDerWaalsContact O-CB 3.26Å; T78-Q140 WeakPolarHBondContact O-CB 3.29Å; T78-Q140 PolarHBondContact O-N 3.39Å | ||
| 79 | N | 96.4 | Very high | 92.4 | Very high | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 153.8 | -170.3 | -56.7 | -62.8 | 0 | 0 | 0 | 112.5 | Y81 R123 R137 I138 | N79-Y81 HydrophobicContact CB-CD2 4.44Å; N79-Y81 HydrophobicContact CB-CE1 4.37Å; N79-Y81 HydrophobicContact CB-CE2 3.65Å; N79-Y81 PolarHBondContact ND2-OH 3.22Å; N79-Y81 WeakPolarHBondContact O-CE2 3.3Å; N79-R123 PolarHBondContact O-NH2 3.33Å; N79-R137 HydrophobicContact CB-CG 3.7Å; N79-I138 CarbonylContact C-O 3.56Å; N79-I138 VanDerWaalsContact CA-O 3.28Å; N79-I138 WeakPolarHBondContact CA-O 3.3Å |
| 80 | W | 95.9 | Very high | 92 | Very high | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 149.1 | 166.1 | 176.1 | 88.2 | 0 | 0 | 0 | 109.1 | F44 A82 A112 F113 I117 R137 I138 F143 L157 | F44-W80 AromaticContact CE1-CH2 3.67Å; F44-W80 HydrophobicContact CE1-CH2 3.67Å; F44-W80 HydrophobicContact CE1-CZ3 4.31Å; F44-W80 AromaticContact CZ-CH2 3.91Å; F44-W80 HydrophobicContact CZ-CH2 3.91Å; F44-W80 HydrophobicContact CZ-CZ3 4.24Å; W80-A82 HydrophobicContact CH2-CB 3.79Å; W80-A82 HydrophobicContact CZ3-CB 4Å; W80-A112 HydrophobicContact CH2-CB 3.92Å; W80-A112 HydrophobicContact CZ2-CB 3.32Å; W80-F113 VanDerWaalsContact CD1-O 3.29Å; W80-I117 HydrophobicContact CB-CD1 3.86Å; W80-R137 CarbonylContact O-C 3.56Å; W80-R137 WeakPolarHBondContact O-CA 3.29Å; W80-I138 HydrophobicContact CE3-CB 4.11Å; W80-I138 HydrophobicContact CE3-CD1 3.6Å; W80-I138 HydrophobicContact CE3-CG1 3.82Å; W80-I138 HydrophobicContact CZ3-CD1 3.6Å; W80-I138 HydrophobicContact CZ3-CG1 4.12Å; W80-I138 PolarHBondContact N-O 2.9Å; W80-I138 PolarHBondContact O-N 3.14Å; W80-F143 HydrophobicContact CB-CB 4.45Å; W80-F143 HydrophobicContact CB-CD1 3.9Å; W80-F143 HydrophobicContact CB-CD2 3.97Å; W80-F143 HydrophobicContact CB-CE1 4.09Å; W80-F143 HydrophobicContact CB-CE2 4.16Å; W80-F143 HydrophobicContact CB-CG 3.84Å; W80-F143 HydrophobicContact CB-CZ 4.22Å; W80-F143 AromaticContact CD1-CE1 3.7Å; W80-F143 AromaticContact CD1-CE2 3.87Å; W80-F143 AromaticContact CD1-CZ 3.41Å; W80-F143 VanDerWaalsContact CD1-CZ 3.41Å; W80-F143 AromaticContact CD2-CD2 3.99Å; W80-F143 HydrophobicContact CD2-CD2 3.99Å; W80-F143 AromaticContact CD2-CE2 3.54Å; W80-F143 HydrophobicContact CD2-CE2 3.54Å; W80-F143 AromaticContact CD2-CZ 3.92Å; W80-F143 HydrophobicContact CD2-CZ 3.92Å; W80-F143 AromaticContact CE2-CE2 3.75Å; W80-F143 AromaticContact CE2-CZ 3.88Å; W80-F143 HydrophobicContact CE3-CD2 4.25Å; W80-F143 HydrophobicContact CE3-CE2 4.07Å; W80-F143 HydrophobicContact CG-CD1 4.17Å; W80-F143 AromaticContact CG-CD2 3.9Å; W80-F143 HydrophobicContact CG-CD2 3.9Å; W80-F143 AromaticContact CG-CE1 3.89Å; W80-F143 HydrophobicContact CG-CE1 3.89Å; W80-F143 AromaticContact CG-CE2 3.6Å; W80-F143 HydrophobicContact CG-CE2 3.6Å; W80-F143 HydrophobicContact CG-CG 4.18Å; W80-F143 AromaticContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CZ2-CE2 4.37Å; W80-F143 AromaticContact NE1-CE2 3.96Å; W80-F143 AromaticContact NE1-CZ 3.59Å; W80-L157 HydrophobicContact CZ2-CD2 4.2Å |
| 81 | Y | 95.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 7% | 0.071 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 146.9 | -172 | -59.6 | -93.8 | 0 | 0 | 0 | 111.9 | L70 F71 N79 A112 F113 L135 L136 R137 | L70-Y81 HydrophobicContact CD2-CD1 4.12Å; L70-Y81 HydrophobicContact CD2-CE1 4.01Å; L70-Y81 HydrophobicContact CD2-CE2 4.46Å; L70-Y81 HydrophobicContact CD2-CG 4.37Å; F71-Y81 HydrophobicContact CD1-CE2 4.36Å; F71-Y81 HydrophobicContact CE1-CD2 4.33Å; F71-Y81 AromaticContact CE1-CE2 3.95Å; F71-Y81 HydrophobicContact CE1-CE2 3.95Å; N79-Y81 HydrophobicContact CB-CD2 4.44Å; N79-Y81 HydrophobicContact CB-CE1 4.37Å; N79-Y81 HydrophobicContact CB-CE2 3.65Å; N79-Y81 PolarHBondContact ND2-OH 3.22Å; N79-Y81 WeakPolarHBondContact O-CE2 3.3Å; Y81-A112 CarbonylContact O-C 3.55Å; Y81-A112 VanDerWaalsContact O-CA 3.24Å; Y81-A112 WeakPolarHBondContact O-CA 3.49Å; Y81-A112 WeakPolarHBondContact O-CB 3.48Å; Y81-F113 VanDerWaalsContact CB-CZ 3.49Å; Y81-F113 HydrophobicContact CD2-CD2 4.17Å; Y81-F113 AromaticContact CD2-CE2 3.64Å; Y81-F113 HydrophobicContact CD2-CE2 3.64Å; Y81-F113 HydrophobicContact CD2-CZ 4.2Å; Y81-F113 HydrophobicContact CE2-CE2 4.5Å; Y81-F113 AromaticContact CG-CE2 3.84Å; Y81-F113 HydrophobicContact CG-CE2 3.84Å; Y81-F113 AromaticContact CG-CZ 3.91Å; Y81-F113 HydrophobicContact CG-CZ 3.91Å; Y81-F113 PolarHBondContact N-O 3.13Å; Y81-F113 PolarHBondContact O-N 2.91Å; Y81-L135 HydrophobicContact CD1-CB 4.48Å; Y81-L135 HydrophobicContact CD1-CD1 4.07Å; Y81-L136 CarbonylContact C-O 3.54Å; Y81-L136 VanDerWaalsContact CA-O 3.26Å; Y81-L136 WeakPolarHBondContact CA-O 3.26Å; Y81-R137 HydrophobicContact CD1-CB 4.08Å; Y81-R137 HydrophobicContact CD1-CG 4.02Å; Y81-R137 HydrophobicContact CE1-CB 4.04Å; Y81-R137 HydrophobicContact CE1-CG 3.59Å |
| 82 | A | 93.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F44 W80 L84 A112 L135 L136 | F44-A82 HydrophobicContact CE2-CB 4.32Å; F44-A82 HydrophobicContact CZ-CB 3.71Å; W80-A82 HydrophobicContact CH2-CB 3.79Å; W80-A82 HydrophobicContact CZ3-CB 4Å; A82-L84 PolarHBondContact O-N 3.38Å; A82-A112 HydrophobicContact CB-CB 4.17Å; A82-L135 CarbonylContact O-C 3.47Å; A82-L135 WeakPolarHBondContact O-CA 3.35Å; A82-L136 HydrophobicContact CB-CB 4.34Å; A82-L136 PolarHBondContact N-O 3.04Å; A82-L136 PolarHBondContact O-N 2.88Å |
| 83 | V | 91.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 115.8 | -178 | -172.6 | 0 | 0 | 0 | 0 | 110 | A85 L88 G108 G110 T111 F113 L135 | V83-A85 WeakPolarHBondContact CG1-O 3.5Å; V83-L88 HydrophobicContact CG1-CD1 4.14Å; V83-L88 HydrophobicContact CG2-CD1 3.56Å; V83-G108 VanDerWaalsContact CB-O 3.32Å; V83-G108 WeakPolarHBondContact CB-O 3.34Å; V83-G110 PolarHBondContact O-N 2.82Å; V83-T111 PolarHBondContact N-O 3.27Å; V83-F113 HydrophobicContact CG2-CD1 4.48Å; V83-F113 HydrophobicContact CG2-CE1 3.9Å; V83-L135 HydrophobicContact CB-CD2 4.1Å; V83-L135 HydrophobicContact CG1-CD2 4.06Å; V83-L135 HydrophobicContact CG2-CD2 3.84Å |
| 84 | L | 89.2 | Confident | 89.8 | Confident | 19 Ų | 19 | 33.3 Ų | 33.3 | 10% | 0.099 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -38.2 | 176.4 | -54.3 | 179.6 | 0 | 0 | 0 | 111.3 | W15 L38 V41 Y61 A82 I109 E134 L136 | W15-L84 HydrophobicContact CH2-CD1 3.71Å; W15-L84 HydrophobicContact CZ3-CD1 3.71Å; L38-L84 HydrophobicContact CD2-CD2 3.87Å; V41-L84 HydrophobicContact CG2-CD2 4Å; Y61-L84 HydrophobicContact CD2-CD1 4.26Å; Y61-L84 HydrophobicContact CE2-CD1 4.46Å; A82-L84 PolarHBondContact O-N 3.38Å; L84-I109 WeakPolarHBondContact O-CG2 3.07Å; L84-E134 WeakPolarHBondContact CA-O 3.38Å; L84-E134 HydrophobicContact CB-CB 4.24Å; L84-E134 WeakPolarHBondContact CB-O 3.5Å; L84-E134 PolarHBondContact N-O 3.44Å; L84-L136 HydrophobicContact CD1-CB 4.15Å; L84-L136 HydrophobicContact CD2-CB 4.18Å; L84-L136 HydrophobicContact CG-CB 4.21Å |
| 85 | A | 87.1 | Confident | 89.2 | Confident | 24 Ų | 24 | 34.2 Ų | 34.2 | 20% | 0.198 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 157.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V83 I109 S133 E134 | V83-A85 WeakPolarHBondContact CG1-O 3.5Å; A85-I109 HydrophobicContact CB-CD1 4.36Å; A85-S133 CarbonylContact O-C 3.59Å; A85-S133 VanDerWaalsContact O-CA 3.31Å; A85-S133 WeakPolarHBondContact O-CA 3.38Å; A85-E134 HydrophobicContact CB-CB 3.8Å; A85-E134 HydrophobicContact CB-CG 3.86Å; A85-E134 PolarHBondContact N-O 2.85Å; A85-E134 PolarHBondContact O-N 2.94Å |
| 86 | G | 86.8 | Confident | 88.5 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | S | Bend | trans | 82.1 | -162.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E131 | G86-E131 VanDerWaalsContact C-OE1 3.31Å; G86-E131 WeakPolarHBondContact CA-OE1 3.45Å |
| 87 | S | 89.1 | Confident | 88 | Confident | 11 Ų | 11 | 32.4 Ų | 32.4 | 8% | 0.077 | 19% | 0.191 | C | C | . | . | trans | -152.3 | 153.2 | -178 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | L107 R130 E131 S133 | S87-L107 CarbonylContact C-O 3.54Å; S87-L107 WeakPolarHBondContact CA-O 3.4Å; S87-R130 WeakPolarHBondContact O-CB 3.38Å; S87-R130 PolarHBondContact O-N 2.86Å; S87-E131 WeakPolarHBondContact CB-OE1 3.42Å; S87-E131 PolarHBondContact N-OE1 3.46Å; S87-E131 VanDerWaalsContact OG-CD 3.31Å; S87-E131 PolarHBondContact OG-OE1 3.43Å; S87-S133 PolarHBondContact N-OG 3.15Å; S87-S133 PolarHBondContact O-OG 2.83Å | ||
| 88 | L | 92.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 137.8 | -176 | -54.9 | 91.3 | 0 | 0 | 0 | 111.4 | L70 V83 T106 L107 F113 I127 V128 T129 L135 | L70-L88 HydrophobicContact CD1-CD2 3.73Å; L70-L88 HydrophobicContact CD2-CD2 3.99Å; V83-L88 HydrophobicContact CG1-CD1 4.14Å; V83-L88 HydrophobicContact CG2-CD1 3.56Å; L88-T106 CarbonylContact O-C 3.52Å; L88-T106 WeakPolarHBondContact O-CA 3.32Å; L88-L107 PolarHBondContact N-O 2.71Å; L88-L107 PolarHBondContact O-N 3.11Å; L88-F113 HydrophobicContact CD2-CZ 4.11Å; L88-I127 HydrophobicContact CB-CG2 3.84Å; L88-I127 HydrophobicContact CD2-CG2 3.63Å; L88-I127 HydrophobicContact CG-CG2 4.39Å; L88-V128 CarbonylContact C-O 3.53Å; L88-V128 VanDerWaalsContact CA-O 3.29Å; L88-V128 WeakPolarHBondContact CA-O 3.44Å; L88-T129 HydrophobicContact CD2-CG2 4Å; L88-T129 HydrophobicContact CG-CG2 4.31Å; L88-L135 HydrophobicContact CD1-CD2 3.96Å; L88-L135 HydrophobicContact CD2-CD1 4.28Å |
| 89 | D | 90.8 | Very high | 86.8 | Confident | 28 Ų | 28 | 41.2 Ų | 41.2 | 15% | 0.15 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 132.4 | 172.8 | -72.8 | -19 | 0 | 0 | 0 | 110.4 | K91 T103 I127 V128 R130 | D89-K91 HydrophobicContact CB-CG 4.43Å; D89-T103 HydrophobicContact CB-CG2 3.88Å; D89-I127 WeakPolarHBondContact O-CA 3.46Å; D89-V128 PolarHBondContact N-O 3.23Å; D89-V128 PolarHBondContact O-N 3.24Å; D89-R130 WeakPolarHBondContact OD1-CD 3.4Å |
| 90 | V | 89.2 | Confident | 86.1 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 118.2 | 168.7 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | T103 I104 C105 L107 A125 | V90-T103 CarbonylContact O-C 3.59Å; V90-T103 WeakPolarHBondContact O-CA 3.4Å; V90-I104 HydrophobicContact CB-CD1 4.46Å; V90-I104 HydrophobicContact CB-CG1 4.03Å; V90-I104 HydrophobicContact CG1-CD1 3.87Å; V90-I104 HydrophobicContact CG1-CG1 3.94Å; V90-I104 VanDerWaalsContact O-CG1 3.27Å; V90-I104 WeakPolarHBondContact O-CG1 3.4Å; V90-I104 PolarHBondContact O-N 2.94Å; V90-C105 PolarHBondContact N-O 2.65Å; V90-L107 HydrophobicContact CG2-CD1 3.62Å; V90-L107 HydrophobicContact CG2-CD2 4.01Å; V90-L107 HydrophobicContact CG2-CG 3.58Å; V90-A125 HydrophobicContact CG1-CB 3.49Å; V90-A125 VanDerWaalsContact CG1-CB 3.49Å |
| 91 | K | 87.3 | Confident | 85.3 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 25% | 0.252 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 131.3 | -177.1 | -58.4 | -176 | 180 | -174.3 | 0 | 111.8 | D89 A101 V102 T103 A125 T126 V128 | D89-K91 HydrophobicContact CB-CG 4.43Å; K91-A101 HydrophobicContact CB-CB 4.11Å; K91-V102 CarbonylContact C-O 3.53Å; K91-V102 VanDerWaalsContact CA-O 3.22Å; K91-V102 WeakPolarHBondContact CA-O 3.29Å; K91-T103 WeakPolarHBondContact CE-OG1 3.44Å; K91-A125 CarbonylContact O-C 3.58Å; K91-A125 WeakPolarHBondContact O-CA 3.45Å; K91-A125 WeakPolarHBondContact O-CB 3.42Å; K91-T126 PolarHBondContact N-O 3.06Å; K91-T126 PolarHBondContact O-N 2.84Å; K91-V128 HydrophobicContact CD-CG2 4.34Å |
| 92 | V | 82.6 | Confident | 84.4 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.6 | 178.5 | 179 | 0 | 0 | 0 | 0 | 109.9 | A101 V102 I104 A125 I388 K391 | V92-A101 WeakPolarHBondContact O-CA 3.26Å; V92-V102 PolarHBondContact N-O 2.64Å; V92-V102 PolarHBondContact O-N 3.37Å; V92-I104 HydrophobicContact CG2-CD1 3.66Å; V92-I104 HydrophobicContact CG2-CG1 4.32Å; V92-A125 HydrophobicContact CG2-CB 3.65Å; V92-I388 HydrophobicContact CB-CD1 4.33Å; V92-I388 HydrophobicContact CG1-CD1 4Å; V92-I388 HydrophobicContact CG2-CD1 4Å; V92-K391 VanDerWaalsContact CG1-NZ 3.31Å |
| 93 | S | 82.9 | Confident | 83.8 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.014 | 27% | 0.274 | C | S | . | . | trans | -106.5 | 136.7 | 167 | -174.8 | 0 | 0 | 0 | 0 | 110.2 | Q73 T95 S97 | Q73-S93 PolarHBondContact NE2-O 3.39Å; Q73-S93 PolarHBondContact OE1-O 3.42Å; S93-T95 VanDerWaalsContact C-N 3.33Å; S93-T95 PolarHBondContact OG-N 3.3Å; S93-T95 VanDerWaalsContact OG-N 3.1Å; S93-T95 PolarHBondContact OG-O 2.98Å; S93-T95 PolarHBondContact OG-OG1 3.41Å; S93-T95 VanDerWaalsContact OG-OG1 3.08Å; S93-S97 VanDerWaalsContact CB-O 3.26Å; S93-S97 WeakPolarHBondContact CB-O 3.33Å; S93-S97 PolarHBondContact OG-O 3.3Å | ||
| 94 | E | 73.5 | Confident | 83.4 | Confident | 156 Ų | 156 | 49.9 Ų | 49.9 | 73% | 0.729 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -82.8 | -14.5 | 168.2 | -65.2 | -171.2 | 166.6 | 0 | 0 | 112 | ||
| 95 | T | 78.4 | Confident | 83 | Confident | 69 Ų | 69 | 49.1 Ų | 49.1 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -99.5 | 172.7 | 176.5 | 75 | 0 | 0 | 0 | 0 | 110.9 | S93 S97 D100 | S93-T95 VanDerWaalsContact C-N 3.33Å; S93-T95 PolarHBondContact OG-N 3.3Å; S93-T95 VanDerWaalsContact OG-N 3.1Å; S93-T95 PolarHBondContact OG-O 2.98Å; S93-T95 PolarHBondContact OG-OG1 3.41Å; S93-T95 VanDerWaalsContact OG-OG1 3.08Å; T95-S97 PolarHBondContact O-N 3.18Å; T95-S97 WeakPolarHBondContact OG1-CB 3.46Å; T95-S97 PolarHBondContact OG1-N 2.76Å; T95-S97 PolarHBondContact OG1-O 3.13Å; T95-D100 HydrophobicContact CG2-CB 4.47Å; T95-D100 WeakPolarHBondContact CG2-OD2 3.32Å; T95-D100 PolarHBondContact OG1-OD2 3.09Å |
| 96 | S | 78 | Confident | 83 | Confident | 128 Ų | 128 | 48.6 Ų | 48.6 | 90% | 0.895 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -72.8 | -3.4 | 168.9 | 57.3 | 0 | 0 | 0 | 0 | 113.3 | ||
| 97 | S | 83.6 | Confident | 83 | Confident | 37 Ų | 37 | 48.1 Ų | 48.1 | 26% | 0.259 | 26% | 0.264 | S | S | . | . | trans | -97 | 127.7 | -179.9 | -179 | 0 | 0 | 0 | 0 | 111 | S93 T95 Q99 D100 | S93-S97 VanDerWaalsContact CB-O 3.26Å; S93-S97 WeakPolarHBondContact CB-O 3.33Å; S93-S97 PolarHBondContact OG-O 3.3Å; T95-S97 PolarHBondContact O-N 3.18Å; T95-S97 WeakPolarHBondContact OG1-CB 3.46Å; T95-S97 PolarHBondContact OG1-N 2.76Å; T95-S97 PolarHBondContact OG1-O 3.13Å; S97-Q99 PolarHBondContact O-N 3.25Å; S97-Q99 PolarHBondContact OG-N 2.76Å; S97-D100 PolarHBondContact O-N 3.37Å | ||
| 98 | H | 81.3 | Confident | 82.9 | Confident | 93 Ų | 93 | 48.1 Ų | 48.1 | 43% | 0.431 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -72.4 | -13.1 | 172.7 | -57.4 | -55.4 | 0 | 0 | 0 | 113.5 | Q73 D100 A101 | Q73-H98 PolarHBondContact O-CE1 3.01Å; H98-D100 PolarHBondContact O-N 3.3Å; H98-A101 WeakPolarHBondContact O-CB 3.21Å; H98-A101 PolarHBondContact O-N 2.81Å |
| 99 | Q | 78.9 | Confident | 82.6 | Confident | 180 Ų | 180 | 51.2 Ų | 51.2 | 84% | 0.841 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -70.5 | -26.8 | 177.5 | -64.7 | -178.3 | -18.8 | 0 | 0 | 111.8 | S97 A101 | S97-Q99 PolarHBondContact O-N 3.25Å; S97-Q99 PolarHBondContact OG-N 2.76Å; Q99-A101 PolarHBondContact O-N 3.27Å |
| 100 | D | 80.4 | Confident | 82.2 | Confident | 88 Ų | 88 | 50.1 Ų | 50.1 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -86.1 | 4.1 | 177.9 | -50.6 | -27.9 | 0 | 0 | 0 | 111.8 | T95 S97 H98 V102 | T95-D100 HydrophobicContact CG2-CB 4.47Å; T95-D100 WeakPolarHBondContact CG2-OD2 3.32Å; T95-D100 PolarHBondContact OG1-OD2 3.09Å; S97-D100 PolarHBondContact O-N 3.37Å; H98-D100 PolarHBondContact O-N 3.3Å; D100-V102 PolarHBondContact O-N 3.03Å |
| 101 | A | 79.6 | Confident | 82.1 | Confident | 23 Ų | 23 | 50 Ų | 50 | 19% | 0.19 | 28% | 0.277 | C | S | . | . | trans | -71.5 | 123.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K91 V92 H98 Q99 | K91-A101 HydrophobicContact CB-CB 4.11Å; V92-A101 WeakPolarHBondContact O-CA 3.26Å; H98-A101 WeakPolarHBondContact O-CB 3.21Å; H98-A101 PolarHBondContact O-N 2.81Å; Q99-A101 PolarHBondContact O-N 3.27Å | ||
| 102 | V | 77.3 | Confident | 82.3 | Confident | 44 Ų | 44 | 48 Ų | 48 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 144.1 | -177.3 | -65.4 | 0 | 0 | 0 | 0 | 111.7 | K91 V92 D100 I104 L406 | K91-V102 CarbonylContact C-O 3.53Å; K91-V102 VanDerWaalsContact CA-O 3.22Å; K91-V102 WeakPolarHBondContact CA-O 3.29Å; V92-V102 PolarHBondContact N-O 2.64Å; V92-V102 PolarHBondContact O-N 3.37Å; D100-V102 PolarHBondContact O-N 3.03Å; V102-I104 PolarHBondContact O-N 2.78Å; V102-L406 HydrophobicContact CB-CD1 3.98Å; V102-L406 HydrophobicContact CB-CD2 3.4Å; V102-L406 HydrophobicContact CB-CG 4.32Å; V102-L406 HydrophobicContact CG1-CD1 4.29Å; V102-L406 HydrophobicContact CG1-CD2 4.07Å; V102-L406 HydrophobicContact CG2-CD2 3.41Å; V102-L406 VanDerWaalsContact CG2-CD2 3.41Å |
| 103 | T | 80.9 | Confident | 82.8 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 28% | 0.276 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 119.2 | 177.1 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | D89 V90 K91 | D89-T103 HydrophobicContact CB-CG2 3.88Å; V90-T103 CarbonylContact O-C 3.59Å; V90-T103 WeakPolarHBondContact O-CA 3.4Å; K91-T103 WeakPolarHBondContact CE-OG1 3.44Å |
| 104 | I | 81.3 | Confident | 83.1 | Confident | 20 Ų | 20 | 48.1 Ų | 48.1 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -35.9 | -179.4 | 51.9 | 167.6 | 0 | 0 | 0 | 112.7 | V90 V92 V102 V386 I388 V394 A415 | V90-I104 HydrophobicContact CB-CD1 4.46Å; V90-I104 HydrophobicContact CB-CG1 4.03Å; V90-I104 HydrophobicContact CG1-CD1 3.87Å; V90-I104 HydrophobicContact CG1-CG1 3.94Å; V90-I104 VanDerWaalsContact O-CG1 3.27Å; V90-I104 WeakPolarHBondContact O-CG1 3.4Å; V90-I104 PolarHBondContact O-N 2.94Å; V92-I104 HydrophobicContact CG2-CD1 3.66Å; V92-I104 HydrophobicContact CG2-CG1 4.32Å; V102-I104 PolarHBondContact O-N 2.78Å; I104-V386 HydrophobicContact CD1-CG1 4.09Å; I104-I388 HydrophobicContact CD1-CD1 4.31Å; I104-V394 HydrophobicContact CD1-CG1 4.46Å; I104-A415 HydrophobicContact CG2-CB 4.11Å |
| 105 | C | 81.6 | Confident | 84 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.4 | 166.9 | -179.1 | 58.5 | 0 | 0 | 0 | 0 | 111.3 | V90 C395 L397 F403 | V90-C105 PolarHBondContact N-O 2.65Å; C105-C395 VanDerWaalsContact SG-SG 3.68Å; C105-L397 HydrophobicContact CB-CD1 3.62Å; C105-L397 HydrophobicContact CB-CD2 3.89Å; C105-L397 HydrophobicContact CB-CG 4.34Å; C105-F403 HydrophobicContact CB-CB 4.07Å |
| 106 | T | 86.1 | Confident | 84.6 | Confident | 13 Ų | 13 | 38.5 Ų | 38.5 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 135.3 | 175.2 | -43 | 0 | 0 | 0 | 0 | 110 | L88 D401 D402 | L88-T106 CarbonylContact O-C 3.52Å; L88-T106 WeakPolarHBondContact O-CA 3.32Å; T106-D401 WeakPolarHBondContact O-CB 3.48Å; T106-D402 WeakPolarHBondContact CB-OD1 3.41Å; T106-D402 PolarHBondContact N-O 3.06Å; T106-D402 VanDerWaalsContact N-O 3.14Å; T106-D402 PolarHBondContact OG1-OD1 3.48Å |
| 107 | L | 87.4 | Confident | 85.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 124 | 172.5 | -52.2 | 173 | 0 | 0 | 0 | 109.3 | S87 L88 V90 T111 F113 I127 L397 | S87-L107 CarbonylContact C-O 3.54Å; S87-L107 WeakPolarHBondContact CA-O 3.4Å; L88-L107 PolarHBondContact N-O 2.71Å; L88-L107 PolarHBondContact O-N 3.11Å; V90-L107 HydrophobicContact CG2-CD1 3.62Å; V90-L107 HydrophobicContact CG2-CD2 4.01Å; V90-L107 HydrophobicContact CG2-CG 3.58Å; L107-T111 HydrophobicContact CB-CG2 4.25Å; L107-T111 HydrophobicContact CD2-CG2 3.78Å; L107-F113 HydrophobicContact CD1-CB 4.23Å; L107-F113 HydrophobicContact CD1-CD1 3.64Å; L107-F113 HydrophobicContact CD1-CE1 4.11Å; L107-F113 HydrophobicContact CD1-CG 3.92Å; L107-I127 HydrophobicContact CD1-CD1 4.14Å; L107-L397 HydrophobicContact CD2-CD2 3.64Å |
| 108 | G | 87 | Confident | 85.7 | Confident | 12 Ų | 12 | 31.5 Ų | 31.5 | 12% | 0.124 | 17% | 0.173 | C | C | . | . | trans | -110.1 | -172.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | V83 G110 T111 D401 | V83-G108 VanDerWaalsContact CB-O 3.32Å; V83-G108 WeakPolarHBondContact CB-O 3.34Å; G108-G110 PolarHBondContact O-N 3.2Å; G108-T111 WeakPolarHBondContact O-CB 3.23Å; G108-T111 PolarHBondContact O-N 3.35Å; G108-T111 VanDerWaalsContact O-N 3.11Å; G108-D401 WeakPolarHBondContact CA-OD1 3.27Å; G108-D401 PolarHBondContact N-OD1 3.31Å | ||
| 109 | I | 85.9 | Confident | 86.1 | Confident | 65 Ų | 65 | 30.7 Ų | 30.7 | 33% | 0.333 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 130.5 | -179.1 | -60 | -177.1 | 0 | 0 | 0 | 111.3 | L84 A85 T111 K337 | L84-I109 WeakPolarHBondContact O-CG2 3.07Å; A85-I109 HydrophobicContact CB-CD1 4.36Å; I109-T111 VanDerWaalsContact C-N 3.3Å; I109-K337 HydrophobicContact CD1-CD 4.44Å |
| 110 | G | 83.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 4% | 0.041 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 86.9 | -4.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | A43 V83 G108 | A43-G110 WeakPolarHBondContact CB-O 3.3Å; A43-G110 PolarHBondContact N-O 3.44Å; V83-G110 PolarHBondContact O-N 2.82Å; G108-G110 PolarHBondContact O-N 3.2Å |
| 111 | T | 87.3 | Confident | 87 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | trans | -85.9 | 145.5 | 170.5 | -63 | 0 | 0 | 0 | 0 | 110.2 | V83 L107 G108 I109 H398 D401 | V83-T111 PolarHBondContact N-O 3.27Å; L107-T111 HydrophobicContact CB-CG2 4.25Å; L107-T111 HydrophobicContact CD2-CG2 3.78Å; G108-T111 WeakPolarHBondContact O-CB 3.23Å; G108-T111 PolarHBondContact O-N 3.35Å; G108-T111 VanDerWaalsContact O-N 3.11Å; I109-T111 VanDerWaalsContact C-N 3.3Å; T111-H398 PolarHBondContact OG1-ND1 2.94Å; T111-D401 PolarHBondContact OG1-OD2 2.87Å | ||
| 112 | A | 90.1 | Very high | 87.5 | Confident | 14 Ų | 14 | 26.3 Ų | 26.3 | 12% | 0.116 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 151.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A43 W80 Y81 A82 L157 | A43-A112 HydrophobicContact CB-CB 4.35Å; W80-A112 HydrophobicContact CH2-CB 3.92Å; W80-A112 HydrophobicContact CZ2-CB 3.32Å; Y81-A112 CarbonylContact O-C 3.55Å; Y81-A112 VanDerWaalsContact O-CA 3.24Å; Y81-A112 WeakPolarHBondContact O-CA 3.49Å; Y81-A112 WeakPolarHBondContact O-CB 3.48Å; A82-A112 HydrophobicContact CB-CB 4.17Å; A112-L157 HydrophobicContact CB-CD2 4.46Å |
| 113 | F | 92.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.022 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.3 | 163.8 | -173.1 | 62.8 | -89 | 0 | 0 | 0 | 113 | L70 F71 W80 Y81 V83 L88 L107 I127 | L70-F113 HydrophobicContact CD2-CE2 3.99Å; L70-F113 HydrophobicContact CD2-CZ 3.8Å; F71-F113 HydrophobicContact CE1-CD2 4.39Å; F71-F113 HydrophobicContact CE1-CE2 4.03Å; F71-F113 HydrophobicContact CZ-CD2 4.14Å; F71-F113 HydrophobicContact CZ-CE2 4.13Å; W80-F113 VanDerWaalsContact CD1-O 3.29Å; Y81-F113 VanDerWaalsContact CB-CZ 3.49Å; Y81-F113 HydrophobicContact CD2-CD2 4.17Å; Y81-F113 AromaticContact CD2-CE2 3.64Å; Y81-F113 HydrophobicContact CD2-CE2 3.64Å; Y81-F113 HydrophobicContact CD2-CZ 4.2Å; Y81-F113 HydrophobicContact CE2-CE2 4.5Å; Y81-F113 AromaticContact CG-CE2 3.84Å; Y81-F113 HydrophobicContact CG-CE2 3.84Å; Y81-F113 AromaticContact CG-CZ 3.91Å; Y81-F113 HydrophobicContact CG-CZ 3.91Å; Y81-F113 PolarHBondContact N-O 3.13Å; Y81-F113 PolarHBondContact O-N 2.91Å; V83-F113 HydrophobicContact CG2-CD1 4.48Å; V83-F113 HydrophobicContact CG2-CE1 3.9Å; L88-F113 HydrophobicContact CD2-CZ 4.11Å; L107-F113 HydrophobicContact CD1-CB 4.23Å; L107-F113 HydrophobicContact CD1-CD1 3.64Å; L107-F113 HydrophobicContact CD1-CE1 4.11Å; L107-F113 HydrophobicContact CD1-CG 3.92Å; F113-I127 HydrophobicContact CD2-CD1 3.41Å; F113-I127 VanDerWaalsContact CD2-CD1 3.41Å; F113-I127 HydrophobicContact CE2-CD1 3.57Å; F113-I127 HydrophobicContact CE2-CG2 4.26Å; F113-I127 HydrophobicContact CG-CD1 4.1Å; F113-I127 HydrophobicContact CZ-CD1 4.36Å; F113-I127 HydrophobicContact CZ-CG2 4.31Å |
| 114 | G | 90.9 | Very high | 88.4 | Confident | 9 Ų | 9 | 24.6 Ų | 24.6 | 9% | 0.093 | 14% | 0.142 | C | C | . | . | trans | 100.5 | 15.3 | 171 | 0 | 0 | 0 | 0 | 0 | 114.2 | S116 I117 R123 | G114-S116 PolarHBondContact O-N 3.3Å; G114-S116 VanDerWaalsContact O-N 3.15Å; G114-I117 WeakPolarHBondContact O-CG2 3.46Å; G114-I117 PolarHBondContact O-N 2.64Å; G114-R123 VanDerWaalsContact CA-NH1 3.27Å; G114-R123 PolarHBondContact O-NH1 3.43Å | ||
| 115 | E | 91.5 | Very high | 88.8 | Confident | 16 Ų | 16 | 24 Ų | 24 | 8% | 0.075 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -64.4 | -11.8 | 178.9 | 66.1 | -90.5 | -135.2 | 0 | 0 | 114.3 | I117 L118 F143 L158 A159 Y162 | E115-I117 PolarHBondContact O-N 3.25Å; E115-L118 HydrophobicContact CB-CD1 4.35Å; E115-L118 WeakPolarHBondContact O-CB 3.35Å; E115-L118 VanDerWaalsContact O-CG 3.3Å; E115-L118 WeakPolarHBondContact O-CG 3.49Å; E115-L118 PolarHBondContact O-N 3.06Å; E115-F143 HydrophobicContact CB-CE1 4.12Å; E115-L158 HydrophobicContact CB-CD2 4.08Å; E115-A159 WeakPolarHBondContact OE1-CB 3.28Å; E115-A159 PolarHBondContact OE1-N 2.99Å; E115-Y162 HydrophobicContact CB-CD2 4.12Å; E115-Y162 HydrophobicContact CG-CD2 3.45Å; E115-Y162 VanDerWaalsContact CG-CD2 3.45Å; E115-Y162 HydrophobicContact CG-CE2 3.89Å; E115-Y162 HydrophobicContact CG-CG 4.31Å |
| 116 | S | 90 | Very high | 89.3 | Confident | 8 Ų | 8 | 24.3 Ų | 24.3 | 6% | 0.056 | 14% | 0.142 | C | C | . | . | G | 310 helix | trans | -56.5 | -16.4 | 173.1 | 79.2 | 0 | 0 | 0 | 0 | 113.8 | G114 L118 N120 T121 R123 Y162 | G114-S116 PolarHBondContact O-N 3.3Å; G114-S116 VanDerWaalsContact O-N 3.15Å; S116-L118 PolarHBondContact O-N 3.31Å; S116-N120 PolarHBondContact O-N 3.47Å; S116-T121 PolarHBondContact O-N 3.42Å; S116-T121 PolarHBondContact OG-O 3.21Å; S116-R123 PolarHBondContact OG-NH1 2.62Å; S116-R123 VanDerWaalsContact OG-NH1 3.12Å; S116-Y162 WeakPolarHBondContact CA-OH 3.49Å |
| 117 | I | 93.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -67.2 | -17.4 | 173.1 | 69 | -171.3 | 0 | 0 | 0 | 113.1 | G77 W80 G114 E115 D119 N120 Q140 F143 K144 | G77-I117 VanDerWaalsContact O-CG2 3.3Å; G77-I117 WeakPolarHBondContact O-CG2 3.37Å; W80-I117 HydrophobicContact CB-CD1 3.86Å; G114-I117 WeakPolarHBondContact O-CG2 3.46Å; G114-I117 PolarHBondContact O-N 2.64Å; E115-I117 PolarHBondContact O-N 3.25Å; I117-D119 VanDerWaalsContact C-N 3.28Å; I117-D119 PolarHBondContact O-N 3.08Å; I117-N120 PolarHBondContact O-N 3.36Å; I117-N120 PolarHBondContact O-OD1 3.49Å; I117-Q140 HydrophobicContact CB-CB 4.32Å; I117-Q140 HydrophobicContact CB-CG 3.96Å; I117-Q140 HydrophobicContact CD1-CB 4.02Å; I117-Q140 HydrophobicContact CD1-CG 4.35Å; I117-Q140 HydrophobicContact CG1-CB 4.39Å; I117-Q140 HydrophobicContact CG1-CG 4.17Å; I117-Q140 PolarHBondContact O-NE2 3.47Å; I117-F143 HydrophobicContact CD1-CB 4.38Å; I117-F143 HydrophobicContact CD1-CD1 4Å; I117-F143 HydrophobicContact CG1-CD1 4.17Å; I117-K144 WeakPolarHBondContact O-CE 3.4Å; I117-K144 PolarHBondContact O-NZ 2.89Å |
| 118 | L | 91.7 | Very high | 90.1 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 8% | 0.084 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -64.9 | -32 | -176.8 | -72.1 | 172.9 | 0 | 0 | 0 | 112.4 | E115 S116 F143 K144 W147 L158 Y162 | E115-L118 HydrophobicContact CB-CD1 4.35Å; E115-L118 WeakPolarHBondContact O-CB 3.35Å; E115-L118 VanDerWaalsContact O-CG 3.3Å; E115-L118 WeakPolarHBondContact O-CG 3.49Å; E115-L118 PolarHBondContact O-N 3.06Å; S116-L118 PolarHBondContact O-N 3.31Å; L118-F143 HydrophobicContact CD1-CD1 4.42Å; L118-F143 HydrophobicContact CD1-CE1 3.81Å; L118-F143 HydrophobicContact CD2-CD1 3.61Å; L118-F143 HydrophobicContact CD2-CE1 3.85Å; L118-F143 HydrophobicContact CG-CD1 3.94Å; L118-F143 HydrophobicContact CG-CE1 3.8Å; L118-K144 HydrophobicContact CD2-CB 4.38Å; L118-K144 HydrophobicContact CD2-CG 3.76Å; L118-K144 WeakPolarHBondContact O-CE 3.26Å; L118-K144 PolarHBondContact O-NZ 2.82Å; L118-W147 HydrophobicContact CD1-CB 4.39Å; L118-W147 HydrophobicContact CD1-CD2 3.73Å; L118-W147 HydrophobicContact CD1-CE3 4.22Å; L118-W147 HydrophobicContact CD1-CG 3.81Å; L118-W147 HydrophobicContact CD1-CZ2 4.41Å; L118-W147 HydrophobicContact CD2-CB 3.83Å; L118-W147 HydrophobicContact CD2-CD2 4Å; L118-W147 HydrophobicContact CD2-CE3 3.92Å; L118-W147 HydrophobicContact CD2-CG 4Å; L118-W147 HydrophobicContact CG-CD2 4.42Å; L118-W147 HydrophobicContact CG-CE3 4.48Å; L118-L158 HydrophobicContact CD1-CD1 4.15Å; L118-Y162 HydrophobicContact CB-CD1 3.65Å; L118-Y162 HydrophobicContact CB-CE1 3.75Å; L118-Y162 HydrophobicContact CB-CG 4.46Å; L118-Y162 HydrophobicContact CD1-CD1 3.68Å; L118-Y162 HydrophobicContact CD1-CG 3.76Å; L118-Y162 HydrophobicContact CG-CD1 4.29Å |
| 119 | D | 89.6 | Confident | 90.4 | Very high | 76 Ų | 76 | 24.4 Ų | 24.4 | 41% | 0.406 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 11.4 | 174.9 | 62.3 | 7 | 0 | 0 | 0 | 113.4 | I117 T121 Y162 | I117-D119 VanDerWaalsContact C-N 3.28Å; I117-D119 PolarHBondContact O-N 3.08Å; D119-T121 VanDerWaalsContact C-N 3.27Å; D119-T121 PolarHBondContact O-N 3.31Å; D119-T121 VanDerWaalsContact OD1-CB 3.26Å; D119-T121 WeakPolarHBondContact OD1-CB 3.39Å; D119-T121 PolarHBondContact OD1-N 3.29Å; D119-T121 PolarHBondContact OD1-OG1 2.8Å; D119-T121 PolarHBondContact OD2-OG1 3.36Å; D119-Y162 HydrophobicContact CB-CE1 4.21Å; D119-Y162 PolarHBondContact OD1-OH 3.19Å; D119-Y162 WeakPolarHBondContact OD2-CE1 3.21Å; D119-Y162 PolarHBondContact OD2-OH 2.75Å |
| 120 | N | 89.5 | Confident | 90.4 | Very high | 91 Ų | 91 | 24 Ų | 24 | 49% | 0.487 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 25.8 | -177.6 | -48.1 | -32.4 | 0 | 0 | 0 | 114.1 | S116 I117 Q140 K144 | S116-N120 PolarHBondContact O-N 3.47Å; I117-N120 PolarHBondContact O-N 3.36Å; I117-N120 PolarHBondContact O-OD1 3.49Å; N120-Q140 PolarHBondContact OD1-NE2 3.29Å; N120-K144 PolarHBondContact OD1-NZ 3.19Å |
| 121 | T | 89 | Confident | 90.5 | Very high | 40 Ų | 40 | 27.3 Ų | 27.3 | 25% | 0.245 | 15% | 0.148 | C | C | . | . | P | Polyproline II helix | trans | -64.5 | 129.5 | 173.8 | -61.8 | 0 | 0 | 0 | 0 | 110.4 | S116 D119 H124 | S116-T121 PolarHBondContact O-N 3.42Å; S116-T121 PolarHBondContact OG-O 3.21Å; D119-T121 VanDerWaalsContact C-N 3.27Å; D119-T121 PolarHBondContact O-N 3.31Å; D119-T121 VanDerWaalsContact OD1-CB 3.26Å; D119-T121 WeakPolarHBondContact OD1-CB 3.39Å; D119-T121 PolarHBondContact OD1-N 3.29Å; D119-T121 PolarHBondContact OD1-OG1 2.8Å; D119-T121 PolarHBondContact OD2-OG1 3.36Å; T121-H124 WeakPolarHBondContact CG2-NE2 3.4Å |
| 122 | P | 91.1 | Very high | 90.5 | Very high | 68 Ų | 68 | 31.1 Ų | 31.1 | 44% | 0.442 | 18% | 0.175 | S | C | . | . | P | Polyproline II helix | trans | -54 | 149.7 | 174.4 | -26.1 | 34.7 | 0 | 0 | 0 | 112.2 | D75 H124 | D75-P122 WeakPolarHBondContact O-CA 3.49Å; P122-H124 PolarHBondContact O-N 3.38Å |
| 123 | R | 90.8 | Very high | 90.5 | Very high | 8 Ų | 8 | 30.5 Ų | 30.5 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -58.8 | 125.8 | -176.8 | -66.4 | -58.7 | -164.1 | -162.7 | 4.3 | 111.5 | F71 R72 Q73 G74 D75 G77 N79 G114 S116 A125 | F71-R123 HydrophobicContact CB-CG 4.33Å; F71-R123 HydrophobicContact CD2-CB 3.82Å; F71-R123 HydrophobicContact CD2-CG 3.46Å; F71-R123 VanDerWaalsContact CD2-CG 3.46Å; F71-R123 HydrophobicContact CE2-CB 4.07Å; F71-R123 HydrophobicContact CE2-CG 3.81Å; F71-R123 HydrophobicContact CG-CG 3.93Å; R72-R123 WeakPolarHBondContact O-CB 3.35Å; Q73-R123 CarbonylContact C-O 3.58Å; Q73-R123 WeakPolarHBondContact CA-O 3.26Å; G74-R123 PolarHBondContact N-O 3.45Å; D75-R123 HydrophobicContact CB-CG 4.35Å; D75-R123 WeakPolarHBondContact O-CG 3.44Å; D75-R123 PolarHBondContact O-N 3.16Å; G77-R123 VanDerWaalsContact CA-CZ 3.45Å; G77-R123 VanDerWaalsContact CA-NE 3.35Å; N79-R123 PolarHBondContact O-NH2 3.33Å; G114-R123 VanDerWaalsContact CA-NH1 3.27Å; G114-R123 PolarHBondContact O-NH1 3.43Å; S116-R123 PolarHBondContact OG-NH1 2.62Å; S116-R123 VanDerWaalsContact OG-NH1 3.12Å; R123-A125 VanDerWaalsContact C-N 3.26Å; R123-A125 PolarHBondContact O-N 2.94Å |
| 124 | H | 85.7 | Confident | 90.5 | Very high | 46 Ų | 46 | 32.9 Ų | 32.9 | 21% | 0.213 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -70.4 | -22.8 | -179 | -59 | 125.1 | 0 | 0 | 0 | 113.9 | T121 P122 K391 V394 | T121-H124 WeakPolarHBondContact CG2-NE2 3.4Å; P122-H124 PolarHBondContact O-N 3.38Å; H124-K391 PolarHBondContact O-NZ 3.42Å; H124-V394 HydrophobicContact CB-CG1 3.97Å; H124-V394 HydrophobicContact CB-CG2 4.41Å |
| 125 | A | 89.4 | Confident | 90.6 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 5% | 0.05 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -147.3 | 158.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F71 Q73 V90 K91 V92 R123 V394 | F71-A125 WeakPolarHBondContact CE2-O 3.45Å; Q73-A125 PolarHBondContact N-O 3.24Å; V90-A125 HydrophobicContact CG1-CB 3.49Å; V90-A125 VanDerWaalsContact CG1-CB 3.49Å; K91-A125 CarbonylContact O-C 3.58Å; K91-A125 WeakPolarHBondContact O-CA 3.45Å; K91-A125 WeakPolarHBondContact O-CB 3.42Å; V92-A125 HydrophobicContact CG2-CB 3.65Å; R123-A125 VanDerWaalsContact C-N 3.26Å; R123-A125 PolarHBondContact O-N 2.94Å; A125-V394 HydrophobicContact CB-CG1 4.28Å |
| 126 | T | 93.4 | Very high | 90.8 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 7% | 0.067 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 130.1 | 166.4 | -60.7 | 0 | 0 | 0 | 0 | 108.9 | T69 F71 R72 Q73 K91 V128 | T69-T126 HydrophobicContact CG2-CG2 3.81Å; F71-T126 WeakPolarHBondContact O-CA 3.41Å; R72-T126 WeakPolarHBondContact CA-OG1 3.36Å; R72-T126 HydrophobicContact CG-CG2 4.18Å; Q73-T126 PolarHBondContact N-OG1 3.18Å; K91-T126 PolarHBondContact N-O 3.06Å; K91-T126 PolarHBondContact O-N 2.84Å; T126-V128 HydrophobicContact CG2-CG2 3.98Å |
| 127 | I | 94.4 | Very high | 91.1 | Very high | 9 Ų | 9 | 33.8 Ų | 33.8 | 5% | 0.046 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 127.3 | 178.5 | -61.9 | -169.9 | 0 | 0 | 0 | 110.2 | T69 L70 F71 L88 D89 L107 F113 | T69-I127 WeakPolarHBondContact CA-O 3.15Å; L70-I127 PolarHBondContact N-O 2.76Å; F71-I127 HydrophobicContact CE1-CD1 4.37Å; F71-I127 HydrophobicContact CE2-CB 4.13Å; F71-I127 HydrophobicContact CE2-CD1 3.8Å; F71-I127 HydrophobicContact CE2-CG1 3.68Å; F71-I127 HydrophobicContact CZ-CB 4.19Å; F71-I127 HydrophobicContact CZ-CD1 3.45Å; F71-I127 VanDerWaalsContact CZ-CD1 3.45Å; F71-I127 HydrophobicContact CZ-CG1 3.82Å; F71-I127 PolarHBondContact O-N 3Å; L88-I127 HydrophobicContact CB-CG2 3.84Å; L88-I127 HydrophobicContact CD2-CG2 3.63Å; L88-I127 HydrophobicContact CG-CG2 4.39Å; D89-I127 WeakPolarHBondContact O-CA 3.46Å; L107-I127 HydrophobicContact CD1-CD1 4.14Å; F113-I127 HydrophobicContact CD2-CD1 3.41Å; F113-I127 VanDerWaalsContact CD2-CD1 3.41Å; F113-I127 HydrophobicContact CE2-CD1 3.57Å; F113-I127 HydrophobicContact CE2-CG2 4.26Å; F113-I127 HydrophobicContact CG-CD1 4.1Å; F113-I127 HydrophobicContact CZ-CD1 4.36Å; F113-I127 HydrophobicContact CZ-CG2 4.31Å |
| 128 | V | 94.5 | Very high | 91.3 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 10% | 0.097 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.6 | -176.1 | -171.5 | 0 | 0 | 0 | 0 | 110.1 | I68 T69 L88 D89 K91 T126 R130 | I68-V128 CarbonylContact O-C 3.5Å; I68-V128 VanDerWaalsContact O-CA 3.31Å; I68-V128 WeakPolarHBondContact O-CA 2.94Å; T69-V128 HydrophobicContact CG2-CG2 4.28Å; L88-V128 CarbonylContact C-O 3.53Å; L88-V128 VanDerWaalsContact CA-O 3.29Å; L88-V128 WeakPolarHBondContact CA-O 3.44Å; D89-V128 PolarHBondContact N-O 3.23Å; D89-V128 PolarHBondContact O-N 3.24Å; K91-V128 HydrophobicContact CD-CG2 4.34Å; T126-V128 HydrophobicContact CG2-CG2 3.98Å; V128-R130 PolarHBondContact O-N 3.04Å |
| 129 | T | 92.7 | Very high | 91.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.012 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 127.1 | 174.1 | 57 | 0 | 0 | 0 | 0 | 110.6 | L64 E65 G67 I68 L70 L88 | L64-T129 HydrophobicContact CB-CG2 3.84Å; L64-T129 HydrophobicContact CD1-CG2 3.98Å; E65-T129 WeakPolarHBondContact O-CB 3.44Å; E65-T129 PolarHBondContact O-OG1 3.17Å; G67-T129 WeakPolarHBondContact CA-O 3.35Å; G67-T129 PolarHBondContact N-O 2.98Å; G67-T129 PolarHBondContact N-OG1 3.41Å; I68-T129 HydrophobicContact CB-CG2 4.42Å; I68-T129 PolarHBondContact N-OG1 3.37Å; I68-T129 PolarHBondContact O-N 3.18Å; I68-T129 PolarHBondContact O-OG1 3.47Å; L70-T129 HydrophobicContact CD1-CG2 3.86Å; L88-T129 HydrophobicContact CD2-CG2 4Å; L88-T129 HydrophobicContact CG-CG2 4.31Å |
| 130 | R | 87.5 | Confident | 91.8 | Very high | 58 Ų | 58 | 35.3 Ų | 35.3 | 22% | 0.219 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -85.8 | -28.2 | 179.8 | -171.7 | -178.5 | 177.9 | -87.2 | -2.5 | 111.7 | K66 S87 D89 V128 H341 | K66-R130 VanDerWaalsContact CD-O 3.26Å; K66-R130 WeakPolarHBondContact CD-O 3.31Å; K66-R130 WeakPolarHBondContact CE-O 3.39Å; K66-R130 VanDerWaalsContact CG-O 3.3Å; K66-R130 WeakPolarHBondContact CG-O 3.49Å; S87-R130 WeakPolarHBondContact O-CB 3.38Å; S87-R130 PolarHBondContact O-N 2.86Å; D89-R130 WeakPolarHBondContact OD1-CD 3.4Å; V128-R130 PolarHBondContact O-N 3.04Å; R130-H341 PolarHBondContact NH2-CD2 3.38Å; R130-H341 PolarHBondContact NH2-CE1 2.92Å; R130-H341 PolarHBondContact NH2-ND1 3.32Å; R130-H341 PolarHBondContact NH2-NE2 2.96Å |
| 131 | E | 84.8 | Confident | 92.1 | Very high | 72 Ų | 72 | 39.1 Ų | 39.1 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -145.5 | 176.9 | 175.6 | 65.2 | -166.1 | 154.1 | 0 | 0 | 110.1 | G86 S87 S133 | G86-E131 VanDerWaalsContact C-OE1 3.31Å; G86-E131 WeakPolarHBondContact CA-OE1 3.45Å; S87-E131 WeakPolarHBondContact CB-OE1 3.42Å; S87-E131 PolarHBondContact N-OE1 3.46Å; S87-E131 VanDerWaalsContact OG-CD 3.31Å; S87-E131 PolarHBondContact OG-OE1 3.43Å; E131-S133 PolarHBondContact O-N 3.12Å; E131-S133 PolarHBondContact O-OG 2.7Å |
| 132 | S | 86.8 | Confident | 92.4 | Very high | 82 Ų | 82 | 39.5 Ų | 39.5 | 57% | 0.573 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -57.8 | 122.7 | 172.4 | -60.1 | 0 | 0 | 0 | 0 | 109.6 | L64 | L64-S132 CarbonylContact O-C 3.55Å; L64-S132 VanDerWaalsContact O-CA 3.29Å; L64-S132 WeakPolarHBondContact O-CA 3.37Å |
| 133 | S | 90.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 134.6 | -166.6 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | L64 A85 S87 E131 | L64-S133 PolarHBondContact N-O 2.85Å; L64-S133 PolarHBondContact O-N 3.26Å; A85-S133 CarbonylContact O-C 3.59Å; A85-S133 VanDerWaalsContact O-CA 3.31Å; A85-S133 WeakPolarHBondContact O-CA 3.38Å; S87-S133 PolarHBondContact N-OG 3.15Å; S87-S133 PolarHBondContact O-OG 2.83Å; E131-S133 PolarHBondContact O-N 3.12Å; E131-S133 PolarHBondContact O-OG 2.7Å |
| 134 | E | 92.5 | Very high | 92.8 | Very high | 56 Ų | 56 | 38.5 Ų | 38.5 | 26% | 0.262 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 124.9 | 176.4 | -58.1 | 179.5 | -141.5 | 0 | 0 | 109 | Y61 E62 L84 A85 | Y61-E134 HydrophobicContact CE2-CB 3.9Å; Y61-E134 HydrophobicContact CE2-CG 4.22Å; Y61-E134 WeakPolarHBondContact CE2-OE2 3.05Å; Y61-E134 VanDerWaalsContact OH-CG 3.26Å; Y61-E134 WeakPolarHBondContact OH-CG 3.41Å; Y61-E134 PolarHBondContact OH-OE2 2.65Å; E62-E134 CarbonylContact O-C 3.39Å; E62-E134 VanDerWaalsContact O-CA 3.29Å; E62-E134 WeakPolarHBondContact O-CA 3.16Å; L84-E134 WeakPolarHBondContact CA-O 3.38Å; L84-E134 HydrophobicContact CB-CB 4.24Å; L84-E134 WeakPolarHBondContact CB-O 3.5Å; L84-E134 PolarHBondContact N-O 3.44Å; A85-E134 HydrophobicContact CB-CB 3.8Å; A85-E134 HydrophobicContact CB-CG 3.86Å; A85-E134 PolarHBondContact N-O 2.85Å; A85-E134 PolarHBondContact O-N 2.94Å |
| 135 | L | 94.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 145.6 | -175.7 | -48.2 | 176.4 | 0 | 0 | 0 | 111.2 | E62 L64 L70 Y81 A82 V83 L88 | E62-L135 HydrophobicContact CB-CB 4.18Å; E62-L135 PolarHBondContact N-O 3.37Å; E62-L135 PolarHBondContact O-N 3.03Å; L64-L135 HydrophobicContact CD1-CD1 3.73Å; L70-L135 HydrophobicContact CD2-CD1 3.65Å; L70-L135 HydrophobicContact CG-CD1 4.46Å; Y81-L135 HydrophobicContact CD1-CB 4.48Å; Y81-L135 HydrophobicContact CD1-CD1 4.07Å; A82-L135 CarbonylContact O-C 3.47Å; A82-L135 WeakPolarHBondContact O-CA 3.35Å; V83-L135 HydrophobicContact CB-CD2 4.1Å; V83-L135 HydrophobicContact CG1-CD2 4.06Å; V83-L135 HydrophobicContact CG2-CD2 3.84Å; L88-L135 HydrophobicContact CD1-CD2 3.96Å; L88-L135 HydrophobicContact CD2-CD1 4.28Å |
| 136 | L | 95.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 122.6 | 160.5 | -175.9 | 69.5 | 0 | 0 | 0 | 108.4 | L19 L38 F44 I55 Y60 Y81 A82 L84 | L19-L136 HydrophobicContact CD1-CD1 4.34Å; L19-L136 HydrophobicContact CD2-CD1 4.32Å; L38-L136 HydrophobicContact CD1-CD2 3.9Å; L38-L136 HydrophobicContact CD2-CD2 4.27Å; F44-L136 HydrophobicContact CE2-CD2 3.82Å; F44-L136 HydrophobicContact CZ-CD2 3.74Å; I55-L136 HydrophobicContact CG2-CD2 3.6Å; Y60-L136 CarbonylContact O-C 3.6Å; Y60-L136 WeakPolarHBondContact O-CA 3.48Å; Y81-L136 CarbonylContact C-O 3.54Å; Y81-L136 VanDerWaalsContact CA-O 3.26Å; Y81-L136 WeakPolarHBondContact CA-O 3.26Å; A82-L136 HydrophobicContact CB-CB 4.34Å; A82-L136 PolarHBondContact N-O 3.04Å; A82-L136 PolarHBondContact O-N 2.88Å; L84-L136 HydrophobicContact CD1-CB 4.15Å; L84-L136 HydrophobicContact CD2-CB 4.18Å; L84-L136 HydrophobicContact CG-CB 4.21Å |
| 137 | R | 96.2 | Very high | 93.4 | Very high | 52 Ų | 52 | 40.3 Ų | 40.3 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.7 | 179.4 | -174.7 | -170.8 | 81.3 | -177 | 7.3 | 110.2 | Y60 E62 N79 W80 Y81 E139 | Y60-R137 PolarHBondContact N-O 2.83Å; Y60-R137 PolarHBondContact O-N 2.59Å; E62-R137 HydrophobicContact CG-CB 4.09Å; E62-R137 WeakPolarHBondContact OE1-CD 3.28Å; E62-R137 IonicContact OE1-CZ 2.72Å; E62-R137 IonicContact OE1-NE 3.4Å; E62-R137 IonicContact OE1-NH1 3.69Å; E62-R137 PolarHBondContact OE1-NH1 2.93Å; N79-R137 HydrophobicContact CB-CG 3.7Å; W80-R137 CarbonylContact O-C 3.56Å; W80-R137 WeakPolarHBondContact O-CA 3.29Å; Y81-R137 HydrophobicContact CD1-CB 4.08Å; Y81-R137 HydrophobicContact CD1-CG 4.02Å; Y81-R137 HydrophobicContact CE1-CB 4.04Å; Y81-R137 HydrophobicContact CE1-CG 3.59Å; R137-E139 IonicContact NH2-OE1 2.75Å |
| 138 | I | 96.5 | Very high | 93.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 129.1 | 172.6 | -54 | -178.9 | 0 | 0 | 0 | 108.6 | I55 N79 W80 D142 F143 L146 | I55-I138 HydrophobicContact CB-CD1 4.41Å; I55-I138 HydrophobicContact CG1-CD1 3.97Å; I55-I138 HydrophobicContact CG2-CD1 3.9Å; N79-I138 CarbonylContact C-O 3.56Å; N79-I138 VanDerWaalsContact CA-O 3.28Å; N79-I138 WeakPolarHBondContact CA-O 3.3Å; W80-I138 HydrophobicContact CE3-CB 4.11Å; W80-I138 HydrophobicContact CE3-CD1 3.6Å; W80-I138 HydrophobicContact CE3-CG1 3.82Å; W80-I138 HydrophobicContact CZ3-CD1 3.6Å; W80-I138 HydrophobicContact CZ3-CG1 4.12Å; W80-I138 PolarHBondContact N-O 2.9Å; W80-I138 PolarHBondContact O-N 3.14Å; I138-D142 HydrophobicContact CG2-CB 4.05Å; I138-F143 HydrophobicContact CD1-CD2 4.49Å; I138-F143 HydrophobicContact CG2-CB 3.89Å; I138-F143 HydrophobicContact CG2-CD2 4.41Å; I138-L146 HydrophobicContact CD1-CD1 4.34Å; I138-L146 HydrophobicContact CG2-CD1 4.46Å |
| 139 | E | 96.4 | Very high | 93.2 | Very high | 73 Ų | 73 | 53 Ų | 53 | 34% | 0.341 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 150.4 | 178.9 | -63.1 | -173.4 | 171.1 | 0 | 0 | 111.5 | Y60 R137 K141 D142 F143 | Y60-E139 HydrophobicContact CD2-CG 4.43Å; Y60-E139 HydrophobicContact CE2-CG 3.99Å; R137-E139 IonicContact NH2-OE1 2.75Å; E139-K141 VanDerWaalsContact C-N 3.28Å; E139-K141 PolarHBondContact O-N 2.85Å; E139-D142 PolarHBondContact O-N 3.47Å; E139-D142 VanDerWaalsContact O-N 3.17Å; E139-F143 WeakPolarHBondContact O-CB 3.45Å; E139-F143 PolarHBondContact O-N 3.26Å |
| 140 | Q | 95.9 | Very high | 93.1 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 23% | 0.234 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -52.4 | -42.4 | -175.5 | 177.3 | -176.8 | 54.3 | 0 | 0 | 113.7 | T78 I117 N120 F143 K144 | T78-Q140 VanDerWaalsContact O-CB 3.26Å; T78-Q140 WeakPolarHBondContact O-CB 3.29Å; T78-Q140 PolarHBondContact O-N 3.39Å; I117-Q140 HydrophobicContact CB-CB 4.32Å; I117-Q140 HydrophobicContact CB-CG 3.96Å; I117-Q140 HydrophobicContact CD1-CB 4.02Å; I117-Q140 HydrophobicContact CD1-CG 4.35Å; I117-Q140 HydrophobicContact CG1-CB 4.39Å; I117-Q140 HydrophobicContact CG1-CG 4.17Å; I117-Q140 PolarHBondContact O-NE2 3.47Å; N120-Q140 PolarHBondContact OD1-NE2 3.29Å; Q140-F143 PolarHBondContact O-N 3.18Å; Q140-K144 HydrophobicContact CG-CD 4.15Å; Q140-K144 HydrophobicContact CG-CG 4.44Å; Q140-K144 WeakPolarHBondContact O-CB 3.48Å; Q140-K144 WeakPolarHBondContact O-CG 3.46Å; Q140-K144 PolarHBondContact O-N 3.15Å |
| 141 | K | 95.8 | Very high | 93 | Very high | 171 Ų | 171 | 57.2 Ų | 57.2 | 74% | 0.743 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.2 | -48.6 | -178.4 | -179.2 | -174.8 | 172.8 | -170.9 | 0 | 111.2 | E139 A145 | E139-K141 VanDerWaalsContact C-N 3.28Å; E139-K141 PolarHBondContact O-N 2.85Å; K141-A145 PolarHBondContact O-N 2.92Å |
| 142 | D | 95.8 | Very high | 93.1 | Very high | 49 Ų | 49 | 60.7 Ų | 60.7 | 26% | 0.262 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69.6 | -42.4 | -179.1 | -62.5 | -28.5 | 0 | 0 | 0 | 110.3 | C58 I138 E139 K144 A145 L146 | C58-D142 HydrophobicContact CB-CB 4.09Å; I138-D142 HydrophobicContact CG2-CB 4.05Å; E139-D142 PolarHBondContact O-N 3.47Å; E139-D142 VanDerWaalsContact O-N 3.17Å; D142-K144 PolarHBondContact O-N 2.83Å; D142-A145 PolarHBondContact O-N 3.06Å; D142-L146 VanDerWaalsContact O-CG 3.28Å; D142-L146 WeakPolarHBondContact O-CG 3.35Å; D142-L146 PolarHBondContact O-N 3.06Å |
| 143 | F | 95.6 | Very high | 93 | Very high | 3 Ų | 3 | 61 Ų | 61 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 178.5 | -168.3 | -113.8 | 0 | 0 | 0 | 112.8 | W80 E115 I117 L118 I138 E139 Q140 L146 W147 M154 L158 | W80-F143 HydrophobicContact CB-CB 4.45Å; W80-F143 HydrophobicContact CB-CD1 3.9Å; W80-F143 HydrophobicContact CB-CD2 3.97Å; W80-F143 HydrophobicContact CB-CE1 4.09Å; W80-F143 HydrophobicContact CB-CE2 4.16Å; W80-F143 HydrophobicContact CB-CG 3.84Å; W80-F143 HydrophobicContact CB-CZ 4.22Å; W80-F143 AromaticContact CD1-CE1 3.7Å; W80-F143 AromaticContact CD1-CE2 3.87Å; W80-F143 AromaticContact CD1-CZ 3.41Å; W80-F143 VanDerWaalsContact CD1-CZ 3.41Å; W80-F143 AromaticContact CD2-CD2 3.99Å; W80-F143 HydrophobicContact CD2-CD2 3.99Å; W80-F143 AromaticContact CD2-CE2 3.54Å; W80-F143 HydrophobicContact CD2-CE2 3.54Å; W80-F143 AromaticContact CD2-CZ 3.92Å; W80-F143 HydrophobicContact CD2-CZ 3.92Å; W80-F143 AromaticContact CE2-CE2 3.75Å; W80-F143 AromaticContact CE2-CZ 3.88Å; W80-F143 HydrophobicContact CE3-CD2 4.25Å; W80-F143 HydrophobicContact CE3-CE2 4.07Å; W80-F143 HydrophobicContact CG-CD1 4.17Å; W80-F143 AromaticContact CG-CD2 3.9Å; W80-F143 HydrophobicContact CG-CD2 3.9Å; W80-F143 AromaticContact CG-CE1 3.89Å; W80-F143 HydrophobicContact CG-CE1 3.89Å; W80-F143 AromaticContact CG-CE2 3.6Å; W80-F143 HydrophobicContact CG-CE2 3.6Å; W80-F143 HydrophobicContact CG-CG 4.18Å; W80-F143 AromaticContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CG-CZ 3.59Å; W80-F143 HydrophobicContact CZ2-CE2 4.37Å; W80-F143 AromaticContact NE1-CE2 3.96Å; W80-F143 AromaticContact NE1-CZ 3.59Å; E115-F143 HydrophobicContact CB-CE1 4.12Å; I117-F143 HydrophobicContact CD1-CB 4.38Å; I117-F143 HydrophobicContact CD1-CD1 4Å; I117-F143 HydrophobicContact CG1-CD1 4.17Å; L118-F143 HydrophobicContact CD1-CD1 4.42Å; L118-F143 HydrophobicContact CD1-CE1 3.81Å; L118-F143 HydrophobicContact CD2-CD1 3.61Å; L118-F143 HydrophobicContact CD2-CE1 3.85Å; L118-F143 HydrophobicContact CG-CD1 3.94Å; L118-F143 HydrophobicContact CG-CE1 3.8Å; I138-F143 HydrophobicContact CD1-CD2 4.49Å; I138-F143 HydrophobicContact CG2-CB 3.89Å; I138-F143 HydrophobicContact CG2-CD2 4.41Å; E139-F143 WeakPolarHBondContact O-CB 3.45Å; E139-F143 PolarHBondContact O-N 3.26Å; Q140-F143 PolarHBondContact O-N 3.18Å; F143-L146 PolarHBondContact O-N 2.93Å; F143-W147 WeakPolarHBondContact O-CB 3.45Å; F143-W147 PolarHBondContact O-N 2.81Å; F143-M154 HydrophobicContact CE2-SD 4.48Å; F143-L158 HydrophobicContact CZ-CD1 4.23Å; F143-L158 HydrophobicContact CZ-CD2 3.95Å |
| 144 | K | 94.3 | Very high | 92.8 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 22% | 0.222 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.7 | -47.1 | 172.7 | -78.2 | -178.7 | -176.6 | -173.1 | 0 | 111.6 | I117 L118 N120 Q140 D142 L146 W147 E148 | I117-K144 WeakPolarHBondContact O-CE 3.4Å; I117-K144 PolarHBondContact O-NZ 2.89Å; L118-K144 HydrophobicContact CD2-CB 4.38Å; L118-K144 HydrophobicContact CD2-CG 3.76Å; L118-K144 WeakPolarHBondContact O-CE 3.26Å; L118-K144 PolarHBondContact O-NZ 2.82Å; N120-K144 PolarHBondContact OD1-NZ 3.19Å; Q140-K144 HydrophobicContact CG-CD 4.15Å; Q140-K144 HydrophobicContact CG-CG 4.44Å; Q140-K144 WeakPolarHBondContact O-CB 3.48Å; Q140-K144 WeakPolarHBondContact O-CG 3.46Å; Q140-K144 PolarHBondContact O-N 3.15Å; D142-K144 PolarHBondContact O-N 2.83Å; K144-L146 VanDerWaalsContact C-N 3.34Å; K144-L146 PolarHBondContact O-N 2.83Å; K144-W147 PolarHBondContact O-N 2.7Å; K144-E148 WeakPolarHBondContact O-CG 3.38Å; K144-E148 PolarHBondContact O-N 3Å |
| 145 | A | 94.3 | Very high | 92.4 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 47% | 0.471 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K141 D142 K149 | K141-A145 PolarHBondContact O-N 2.92Å; D142-A145 PolarHBondContact O-N 3.06Å; A145-K149 WeakPolarHBondContact O-CB 3.41Å; A145-K149 PolarHBondContact O-N 3.37Å |
| 146 | L | 93.7 | Very high | 91.6 | Very high | 11 Ų | 11 | 61.2 Ų | 61.2 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 174.5 | -67.3 | 175.1 | 0 | 0 | 0 | 111.5 | L51 Q54 I55 I138 D142 F143 K144 K149 Y150 M154 | L51-L146 HydrophobicContact CD1-CB 4.31Å; L51-L146 HydrophobicContact CD1-CD2 4.12Å; Q54-L146 HydrophobicContact CB-CD2 3.39Å; Q54-L146 HydrophobicContact CG-CD2 4.18Å; I55-L146 HydrophobicContact CG1-CD1 3.93Å; I138-L146 HydrophobicContact CD1-CD1 4.34Å; I138-L146 HydrophobicContact CG2-CD1 4.46Å; D142-L146 VanDerWaalsContact O-CG 3.28Å; D142-L146 WeakPolarHBondContact O-CG 3.35Å; D142-L146 PolarHBondContact O-N 3.06Å; F143-L146 PolarHBondContact O-N 2.93Å; K144-L146 VanDerWaalsContact C-N 3.34Å; K144-L146 PolarHBondContact O-N 2.83Å; L146-K149 PolarHBondContact O-N 2.89Å; L146-Y150 HydrophobicContact CD2-CD2 4.47Å; L146-Y150 HydrophobicContact CD2-CE2 4.47Å; L146-Y150 WeakPolarHBondContact O-CB 3.35Å; L146-Y150 WeakPolarHBondContact O-CD2 3.28Å; L146-Y150 PolarHBondContact O-N 3.17Å; L146-M154 HydrophobicContact CB-CE 3.75Å |
| 147 | W | 92.6 | Very high | 91 | Very high | 34 Ų | 34 | 62.3 Ų | 62.3 | 13% | 0.129 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | -179 | 180 | 70.2 | 0 | 0 | 0 | 112.1 | L118 F143 K144 K149 Y150 R151 M154 Y162 | L118-W147 HydrophobicContact CD1-CB 4.39Å; L118-W147 HydrophobicContact CD1-CD2 3.73Å; L118-W147 HydrophobicContact CD1-CE3 4.22Å; L118-W147 HydrophobicContact CD1-CG 3.81Å; L118-W147 HydrophobicContact CD1-CZ2 4.41Å; L118-W147 HydrophobicContact CD2-CB 3.83Å; L118-W147 HydrophobicContact CD2-CD2 4Å; L118-W147 HydrophobicContact CD2-CE3 3.92Å; L118-W147 HydrophobicContact CD2-CG 4Å; L118-W147 HydrophobicContact CG-CD2 4.42Å; L118-W147 HydrophobicContact CG-CE3 4.48Å; F143-W147 WeakPolarHBondContact O-CB 3.45Å; F143-W147 PolarHBondContact O-N 2.81Å; K144-W147 PolarHBondContact O-N 2.7Å; W147-K149 VanDerWaalsContact C-N 3.28Å; W147-K149 PolarHBondContact O-N 3.41Å; W147-Y150 PolarHBondContact O-N 2.92Å; W147-R151 VanDerWaalsContact CZ2-NH2 3.33Å; W147-R151 WeakPolarHBondContact O-CA 3.42Å; W147-R151 WeakPolarHBondContact O-CB 3.29Å; W147-R151 PolarHBondContact O-N 3.25Å; W147-M154 HydrophobicContact CB-SD 4.11Å; W147-Y162 HydrophobicContact CZ2-CD1 4.47Å; W147-Y162 PolarHBondContact NE1-O 3.44Å; W147-Y162 VanDerWaalsContact NE1-O 3.1Å |
| 148 | E | 92.2 | Very high | 90.5 | Very high | 149 Ų | 149 | 60 Ų | 60 | 70% | 0.696 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.4 | -39.6 | 176.4 | -74.4 | 175.7 | -179.5 | 0 | 0 | 112.2 | K144 | K144-E148 WeakPolarHBondContact O-CG 3.38Å; K144-E148 PolarHBondContact O-N 3Å |
| 149 | K | 92.6 | Very high | 89.9 | Confident | 141 Ų | 141 | 60.1 Ų | 60.1 | 61% | 0.613 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -80.9 | -34.9 | -178.2 | -172.6 | 173.7 | 177.6 | -170.2 | 0 | 113.8 | A145 L146 W147 | A145-K149 WeakPolarHBondContact O-CB 3.41Å; A145-K149 PolarHBondContact O-N 3.37Å; L146-K149 PolarHBondContact O-N 2.89Å; W147-K149 VanDerWaalsContact C-N 3.28Å; W147-K149 PolarHBondContact O-N 3.41Å |
| 150 | Y | 90.6 | Very high | 89.1 | Confident | 22 Ų | 22 | 58.2 Ų | 58.2 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -121.2 | 20 | -170.2 | -61.3 | -77.8 | 0 | 0 | 0 | 113.7 | N50 L51 Q54 L146 W147 Q152 Y153 M154 | N50-Y150 HydrophobicContact CB-CE1 4.33Å; L51-Y150 HydrophobicContact CB-CD1 4.06Å; L51-Y150 HydrophobicContact CB-CD2 4.29Å; L51-Y150 HydrophobicContact CB-CE1 4.39Å; L51-Y150 HydrophobicContact CB-CG 4.01Å; L51-Y150 HydrophobicContact CD1-CD2 3.73Å; L51-Y150 HydrophobicContact CD1-CE2 4.39Å; L51-Y150 HydrophobicContact CD1-CG 3.98Å; L51-Y150 HydrophobicContact CG-CG 4.39Å; Q54-Y150 HydrophobicContact CG-CE2 4.23Å; L146-Y150 HydrophobicContact CD2-CD2 4.47Å; L146-Y150 HydrophobicContact CD2-CE2 4.47Å; L146-Y150 WeakPolarHBondContact O-CB 3.35Å; L146-Y150 WeakPolarHBondContact O-CD2 3.28Å; L146-Y150 PolarHBondContact O-N 3.17Å; W147-Y150 PolarHBondContact O-N 2.92Å; Y150-Q152 PolarHBondContact O-N 2.88Å; Y150-Y153 AromaticContact CD1-CD2 3.91Å; Y150-Y153 HydrophobicContact CD1-CD2 3.91Å; Y150-Y153 HydrophobicContact CD1-CE2 4.15Å; Y150-Y153 PolarHBondContact O-N 2.92Å; Y150-M154 PolarHBondContact O-N 2.89Å |
| 151 | R | 86.9 | Confident | 88.5 | Confident | 128 Ų | 128 | 60.2 Ų | 60.2 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -43.9 | -45.1 | -175.3 | -165.5 | 170.8 | -171.7 | 165.8 | 1.8 | 114.1 | W147 Y153 M154 A155 | W147-R151 VanDerWaalsContact CZ2-NH2 3.33Å; W147-R151 WeakPolarHBondContact O-CA 3.42Å; W147-R151 WeakPolarHBondContact O-CB 3.29Å; W147-R151 PolarHBondContact O-N 3.25Å; R151-Y153 VanDerWaalsContact C-N 3.27Å; R151-Y153 PolarHBondContact O-N 2.85Å; R151-M154 PolarHBondContact O-N 2.81Å; R151-M154 VanDerWaalsContact O-N 3.13Å; R151-A155 PolarHBondContact O-N 2.81Å |
| 152 | Q | 85.8 | Confident | 87.9 | Confident | 145 Ų | 145 | 52.8 Ų | 52.8 | 68% | 0.678 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60 | -33.5 | -179.4 | 65.9 | -171.9 | 4.8 | 0 | 0 | 113.7 | Y150 | Y150-Q152 PolarHBondContact O-N 2.88Å |
| 153 | Y | 84.4 | Confident | 87.3 | Confident | 88 Ų | 88 | 51.3 Ų | 51.3 | 35% | 0.345 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -84 | -21.5 | 178.8 | -57.1 | -70.2 | 0 | 0 | 0 | 112.5 | H48 Y150 R151 | H48-Y153 HydrophobicContact CB-CD1 3.96Å; H48-Y153 HydrophobicContact CB-CD2 4.18Å; H48-Y153 HydrophobicContact CB-CE1 3.98Å; H48-Y153 HydrophobicContact CB-CE2 4.19Å; H48-Y153 HydrophobicContact CB-CG 4.06Å; Y150-Y153 AromaticContact CD1-CD2 3.91Å; Y150-Y153 HydrophobicContact CD1-CD2 3.91Å; Y150-Y153 HydrophobicContact CD1-CE2 4.15Å; Y150-Y153 PolarHBondContact O-N 2.92Å; R151-Y153 VanDerWaalsContact C-N 3.27Å; R151-Y153 PolarHBondContact O-N 2.85Å |
| 154 | M | 86.2 | Confident | 86.8 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -92 | -17.5 | 178.1 | -65.3 | -171.5 | 175 | 0 | 0 | 113.3 | F47 L51 F143 L146 W147 Y150 R151 G156 L157 L158 | F47-M154 HydrophobicContact CE1-CG 4.36Å; F47-M154 HydrophobicContact CZ-CG 4.16Å; L51-M154 HydrophobicContact CD1-CE 3.36Å; L51-M154 HydrophobicContact CD2-CE 3.75Å; L51-M154 HydrophobicContact CD2-CG 3.93Å; L51-M154 HydrophobicContact CG-CE 4.16Å; F143-M154 HydrophobicContact CE2-SD 4.48Å; L146-M154 HydrophobicContact CB-CE 3.75Å; W147-M154 HydrophobicContact CB-SD 4.11Å; Y150-M154 PolarHBondContact O-N 2.89Å; R151-M154 PolarHBondContact O-N 2.81Å; R151-M154 VanDerWaalsContact O-N 3.13Å; M154-G156 PolarHBondContact O-N 2.81Å; M154-G156 VanDerWaalsContact O-N 3.15Å; M154-L157 PolarHBondContact O-N 3.4Å; M154-L158 HydrophobicContact CB-CD1 3.95Å; M154-L158 HydrophobicContact CB-CG 4.17Å; M154-L158 PolarHBondContact O-N 3.5Å; M154-L158 HydrophobicContact SD-CD1 4.32Å |
| 155 | A | 84.6 | Confident | 85.8 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 19% | 0.19 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -36.8 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | R151 G163 V164 | R151-A155 PolarHBondContact O-N 2.81Å; A155-G163 CarbonylContact O-C 3.53Å; A155-G163 VanDerWaalsContact O-CA 3.28Å; A155-G163 WeakPolarHBondContact O-CA 3.42Å; A155-V164 HydrophobicContact CB-CG1 4.44Å; A155-V164 WeakPolarHBondContact O-CG2 3.46Å; A155-V164 PolarHBondContact O-N 3.43Å |
| 156 | G | 78.6 | Confident | 85 | Confident | 36 Ų | 36 | 56.2 Ų | 56.2 | 37% | 0.371 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -21.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | M154 R421 | M154-G156 PolarHBondContact O-N 2.81Å; M154-G156 VanDerWaalsContact O-N 3.15Å; G156-R421 PolarHBondContact O-NE 2.83Å; G156-R421 PolarHBondContact O-NH2 3.04Å |
| 157 | L | 82.1 | Confident | 84.1 | Confident | 23 Ų | 23 | 58.5 Ų | 58.5 | 12% | 0.12 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -43 | -179.9 | -176.7 | 69.6 | 0 | 0 | 0 | 112.4 | A43 F47 W80 A112 M154 | A43-L157 HydrophobicContact CB-CD1 4.01Å; A43-L157 HydrophobicContact CB-CD2 4.36Å; F47-L157 HydrophobicContact CE1-CB 4.25Å; F47-L157 HydrophobicContact CE1-CD2 3.71Å; F47-L157 HydrophobicContact CE2-CD2 4.42Å; F47-L157 HydrophobicContact CZ-CD2 3.39Å; W80-L157 HydrophobicContact CZ2-CD2 4.2Å; A112-L157 HydrophobicContact CB-CD2 4.46Å; M154-L157 PolarHBondContact O-N 3.4Å |
| 158 | L | 85.6 | Confident | 82.7 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -81 | 148 | -171.5 | -54.9 | -178 | 0 | 0 | 0 | 112.4 | E115 L118 F143 M154 G163 R421 | E115-L158 HydrophobicContact CB-CD2 4.08Å; L118-L158 HydrophobicContact CD1-CD1 4.15Å; F143-L158 HydrophobicContact CZ-CD1 4.23Å; F143-L158 HydrophobicContact CZ-CD2 3.95Å; M154-L158 HydrophobicContact CB-CD1 3.95Å; M154-L158 HydrophobicContact CB-CG 4.17Å; M154-L158 PolarHBondContact O-N 3.5Å; M154-L158 HydrophobicContact SD-CD1 4.32Å; L158-G163 WeakPolarHBondContact O-CA 3.44Å; L158-R421 PolarHBondContact O-NH2 2.88Å |
| 159 | A | 83.5 | Confident | 81.1 | Confident | 3 Ų | 3 | 55.5 Ų | 55.5 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 153.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E115 Y162 G163 V393 | E115-A159 WeakPolarHBondContact OE1-CB 3.28Å; E115-A159 PolarHBondContact OE1-N 2.99Å; A159-Y162 WeakPolarHBondContact O-CB 3.3Å; A159-Y162 WeakPolarHBondContact O-CD2 3.07Å; A159-Y162 PolarHBondContact O-N 3.04Å; A159-G163 PolarHBondContact O-N 3.2Å; A159-V393 HydrophobicContact CB-CB 4.29Å; A159-V393 HydrophobicContact CB-CG1 3.78Å |
| 160 | P | 79.3 | Confident | 79.2 | Confident | 33 Ų | 33 | 53.6 Ų | 53.6 | 21% | 0.214 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 145.4 | 167.3 | -23.7 | 34.3 | 0 | 0 | 0 | 112 | Y162 M165 V393 | P160-Y162 VanDerWaalsContact C-N 3.35Å; P160-M165 VanDerWaalsContact CG-CA 3.41Å; P160-M165 HydrophobicContact CG-CB 3.72Å; P160-M165 HydrophobicContact CG-CG 4.21Å; P160-V393 HydrophobicContact CG-CG2 4.25Å |
| 161 | P | 83.4 | Confident | 77.1 | Confident | 92 Ų | 92 | 59.9 Ų | 59.9 | 60% | 0.597 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85 | 4.3 | 4.3 | 35.2 | -37 | 0 | 0 | 0 | 114.6 | ||
| 162 | Y | 84.6 | Confident | 75 | Confident | 16 Ų | 16 | 61.1 Ų | 61.1 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -31.4 | -172.6 | -42.4 | -69.1 | 0 | 0 | 0 | 113 | E115 S116 L118 D119 W147 A159 P160 | E115-Y162 HydrophobicContact CB-CD2 4.12Å; E115-Y162 HydrophobicContact CG-CD2 3.45Å; E115-Y162 VanDerWaalsContact CG-CD2 3.45Å; E115-Y162 HydrophobicContact CG-CE2 3.89Å; E115-Y162 HydrophobicContact CG-CG 4.31Å; S116-Y162 WeakPolarHBondContact CA-OH 3.49Å; L118-Y162 HydrophobicContact CB-CD1 3.65Å; L118-Y162 HydrophobicContact CB-CE1 3.75Å; L118-Y162 HydrophobicContact CB-CG 4.46Å; L118-Y162 HydrophobicContact CD1-CD1 3.68Å; L118-Y162 HydrophobicContact CD1-CG 3.76Å; L118-Y162 HydrophobicContact CG-CD1 4.29Å; D119-Y162 HydrophobicContact CB-CE1 4.21Å; D119-Y162 PolarHBondContact OD1-OH 3.19Å; D119-Y162 WeakPolarHBondContact OD2-CE1 3.21Å; D119-Y162 PolarHBondContact OD2-OH 2.75Å; W147-Y162 HydrophobicContact CZ2-CD1 4.47Å; W147-Y162 PolarHBondContact NE1-O 3.44Å; W147-Y162 VanDerWaalsContact NE1-O 3.1Å; A159-Y162 WeakPolarHBondContact O-CB 3.3Å; A159-Y162 WeakPolarHBondContact O-CD2 3.07Å; A159-Y162 PolarHBondContact O-N 3.04Å; P160-Y162 VanDerWaalsContact C-N 3.35Å |
| 163 | G | 83.1 | Confident | 72.6 | Confident | 17 Ų | 17 | 65.7 Ų | 65.7 | 18% | 0.175 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -123.3 | -158.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113 | A155 L158 A159 | A155-G163 CarbonylContact O-C 3.53Å; A155-G163 VanDerWaalsContact O-CA 3.28Å; A155-G163 WeakPolarHBondContact O-CA 3.42Å; L158-G163 WeakPolarHBondContact O-CA 3.44Å; A159-G163 PolarHBondContact O-N 3.2Å |
| 164 | V | 84.2 | Confident | 70 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 37% | 0.37 | 38% | 0.378 | S | S | . | . | trans | -90.3 | 150.9 | 176.4 | -64.8 | 0 | 0 | 0 | 0 | 111.5 | A155 E166 T167 R421 | A155-V164 HydrophobicContact CB-CG1 4.44Å; A155-V164 WeakPolarHBondContact O-CG2 3.46Å; A155-V164 PolarHBondContact O-N 3.43Å; V164-E166 WeakPolarHBondContact CG2-O 3.4Å; V164-T167 HydrophobicContact CG2-CG2 3.56Å; V164-R421 PolarHBondContact O-NH1 2.79Å; V164-R421 PolarHBondContact O-NH2 3.4Å | ||
| 165 | M | 74.6 | Confident | 67.6 | Low | 98 Ų | 98 | 73.3 Ų | 73.3 | 48% | 0.483 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -72.4 | -39.2 | 176.7 | -173 | 161.5 | 175.2 | 0 | 0 | 111.1 | P160 N385 | P160-M165 VanDerWaalsContact CG-CA 3.41Å; P160-M165 HydrophobicContact CG-CB 3.72Å; P160-M165 HydrophobicContact CG-CG 4.21Å; M165-N385 PolarHBondContact O-ND2 3.38Å |
| 166 | E | 77 | Confident | 65.2 | Low | 56 Ų | 56 | 79.9 Ų | 79.9 | 26% | 0.262 | 45% | 0.446 | S | S | . | . | trans | -134.4 | 143.1 | -179.8 | -68.5 | 166.8 | -170.8 | 0 | 0 | 109.5 | V164 N170 G363 R421 | V164-E166 WeakPolarHBondContact CG2-O 3.4Å; E166-N170 PolarHBondContact OE2-ND2 3.17Å; E166-G363 WeakPolarHBondContact OE1-CA 3.41Å; E166-R421 WeakPolarHBondContact CA-O 3.34Å | ||
| 167 | T | 74.9 | Confident | 63.3 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 36% | 0.362 | 46% | 0.463 | S | S | . | . | trans | -108.1 | 1.5 | 173.3 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | V164 R421 | V164-T167 HydrophobicContact CG2-CG2 3.56Å; T167-R421 PolarHBondContact N-O 3.26Å | ||
| 168 | G | 62.4 | Low | 61.4 | Low | 21 Ų | 21 | 93.2 Ų | 93.2 | 22% | 0.216 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -79.5 | 175.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N170 D423 | G168-N170 VanDerWaalsContact C-N 3.33Å; G168-N170 PolarHBondContact O-N 3.06Å; G168-D423 WeakPolarHBondContact CA-OD2 3.5Å |
| 169 | S | 58.4 | Low | 59.8 | Low | 99 Ų | 99 | 99.3 Ų | 99.3 | 69% | 0.692 | 53% | 0.528 | S | S | * | . | S | Bend | trans | -78.8 | 66.7 | -171.3 | -170.1 | 0 | 0 | 0 | 0 | 113.8 | D423 | S169-D423 PolarHBondContact N-OD2 3.44Š|
| 170 | N | 52.6 | Low | 58.6 | Low | 100 Ų | 100 | 104.6 Ų | 104.6 | 54% | 0.535 | 56% | 0.559 | S | S | . | * | trans | -98.3 | 10.4 | 175.4 | -92.5 | -11.7 | 0 | 0 | 0 | 114.6 | E166 G168 D172 | E166-N170 PolarHBondContact OE2-ND2 3.17Å; G168-N170 VanDerWaalsContact C-N 3.33Å; G168-N170 PolarHBondContact O-N 3.06Å; N170-D172 PolarHBondContact O-N 3.33Å | ||
| 171 | N | 47.9 | Very low | 58.2 | Low | 155 Ų | 155 | 104.1 Ų | 104.1 | 83% | 0.829 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -86.1 | 91.2 | 171.9 | -138.3 | 7.3 | 0 | 0 | 0 | 109 | R173 | N171-R173 PolarHBondContact O-N 3.44Š|
| 172 | D | 42.1 | Very low | 58.1 | Low | 153 Ų | 153 | 102.3 Ų | 102.3 | 82% | 0.818 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -51 | 93.5 | 175 | -81.6 | -34.5 | 0 | 0 | 0 | 111.5 | N170 | N170-D172 PolarHBondContact O-N 3.33Š|
| 173 | R | 34.6 | Very low | 58.1 | Low | 242 Ų | 242 | 109.6 Ų | 109.6 | 91% | 0.913 | 58% | 0.581 | S | S | * | * | trans | -177.5 | 21.3 | 159.5 | -106.2 | 164.4 | -158.2 | -152.6 | 6.5 | 117.7 | N171 | N171-R173 PolarHBondContact O-N 3.44Š| ||
| 174 | I | 31 | Very low | 58.4 | Low | 133 Ų | 133 | 116 Ų | 116 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -137.2 | 123.7 | 171.6 | -52.5 | 178.8 | 0 | 0 | 0 | 108.8 | ||
| 175 | P | 34.3 | Very low | 58.8 | Low | 117 Ų | 117 | 113.6 Ų | 113.6 | 76% | 0.76 | 59% | 0.589 | S | S | * | * | trans | -63.9 | 145.5 | 177.3 | 27.6 | -31.8 | 0 | 0 | 0 | 110 | K177 | P175-K177 PolarHBondContact O-N 3.34Š| ||
| 176 | D | 34.1 | Very low | 59.6 | Low | 160 Ų | 160 | 112 Ų | 112 | 86% | 0.856 | 58% | 0.582 | S | S | * | * | trans | -17 | 98.2 | 179.3 | -68.5 | -42.1 | 0 | 0 | 0 | 113.6 | E178 | D176-E178 VanDerWaalsContact C-N 3.34Å; D176-E178 PolarHBondContact O-N 3.32Å | ||
| 177 | K | 39.2 | Very low | 60.4 | Low | 167 Ų | 167 | 112.9 Ų | 112.9 | 73% | 0.726 | 58% | 0.583 | S | S | * | * | trans | -67.8 | 103.1 | 158.9 | -86.6 | -174.5 | 174.7 | -178.4 | 0 | 105.9 | P175 N179 | P175-K177 PolarHBondContact O-N 3.34Å; K177-N179 PolarHBondContact O-N 3.28Å | ||
| 178 | E | 42.7 | Very low | 61.3 | Low | 172 Ų | 172 | 110.2 Ų | 110.2 | 80% | 0.804 | 57% | 0.566 | S | S | * | * | trans | -37.8 | 136.8 | 157.9 | -67.9 | -177.3 | 155.8 | 0 | 0 | 109.2 | D176 V180 | D176-E178 VanDerWaalsContact C-N 3.34Å; D176-E178 PolarHBondContact O-N 3.32Å; E178-V180 PolarHBondContact O-N 2.82Å | ||
| 179 | N | 52.5 | Low | 62.8 | Low | 131 Ų | 131 | 109.3 Ų | 109.3 | 70% | 0.701 | 56% | 0.557 | S | S | * | * | trans | -43.2 | 99.8 | 178.1 | -90.8 | -21.3 | 0 | 0 | 0 | 110.3 | K177 P181 | K177-N179 PolarHBondContact O-N 3.28Å; N179-P181 WeakPolarHBondContact O-CD 3.39Å | ||
| 180 | V | 58.1 | Low | 64.5 | Low | 114 Ų | 114 | 107.8 Ų | 107.8 | 69% | 0.691 | 54% | 0.538 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 122.3 | 175.5 | -178.3 | 0 | 0 | 0 | 0 | 106.4 | E178 | E178-V180 PolarHBondContact O-N 2.82Š|
| 181 | P | 70.2 | Confident | 66.6 | Low | 24 Ų | 24 | 103.3 Ų | 103.3 | 16% | 0.156 | 51% | 0.514 | C | S | . | . | P | Polyproline II helix | trans | -55.9 | 146.6 | 177.3 | -22.6 | 31.6 | 0 | 0 | 0 | 110.9 | N179 E183 L186 D250 V252 L272 | N179-P181 WeakPolarHBondContact O-CD 3.39Å; P181-E183 PolarHBondContact O-N 2.91Å; P181-L186 HydrophobicContact CB-CB 4.34Å; P181-D250 WeakPolarHBondContact CA-OD2 3.49Å; P181-D250 WeakPolarHBondContact CB-O 3.45Å; P181-D250 WeakPolarHBondContact CB-OD2 3.46Å; P181-D250 WeakPolarHBondContact CG-O 3.44Å; P181-V252 HydrophobicContact CB-CG2 3.62Å; P181-V252 HydrophobicContact CG-CG2 4.14Å; P181-L272 HydrophobicContact CG-CD2 4.33Å |
| 182 | S | 80.9 | Confident | 68.8 | Low | 54 Ų | 54 | 95.9 Ų | 95.9 | 38% | 0.378 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 132.1 | 171.6 | 174.5 | 0 | 0 | 0 | 0 | 110.3 | K184 I185 L186 D250 | S182-K184 PolarHBondContact O-N 2.73Å; S182-K184 VanDerWaalsContact O-N 3.09Å; S182-I185 PolarHBondContact O-N 3.13Å; S182-L186 WeakPolarHBondContact O-CB 3.41Å; S182-L186 PolarHBondContact O-N 2.71Å; S182-D250 WeakPolarHBondContact CB-OD2 3.4Å; S182-D250 PolarHBondContact N-OD2 3.34Å |
| 183 | E | 86.3 | Confident | 71.3 | Confident | 169 Ų | 169 | 89.1 Ų | 89.1 | 79% | 0.79 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -52.7 | -38 | -178.4 | -173.5 | 177.2 | -173.3 | 0 | 0 | 112.4 | P181 R187 | P181-E183 PolarHBondContact O-N 2.91Å; E183-R187 WeakPolarHBondContact O-CB 3.19Å; E183-R187 PolarHBondContact O-N 2.72Å |
| 184 | K | 88.5 | Confident | 74.2 | Confident | 152 Ų | 152 | 77.9 Ų | 77.9 | 66% | 0.661 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67.4 | -42.2 | 177.6 | -65.1 | -177.8 | -178.7 | 176.8 | 0 | 112.6 | S182 A188 | S182-K184 PolarHBondContact O-N 2.73Å; S182-K184 VanDerWaalsContact O-N 3.09Å; K184-A188 WeakPolarHBondContact O-CB 3.45Å; K184-A188 PolarHBondContact O-N 2.82Å |
| 185 | I | 91.6 | Very high | 77.2 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.046 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.5 | -36.6 | -177.9 | -57.2 | 175.1 | 0 | 0 | 0 | 109.9 | S182 R187 A188 G189 V246 L247 D250 V252 M304 | S182-I185 PolarHBondContact O-N 3.13Å; I185-R187 VanDerWaalsContact C-N 3.34Å; I185-R187 PolarHBondContact O-N 3.5Å; I185-A188 WeakPolarHBondContact O-CB 3.42Å; I185-A188 PolarHBondContact O-N 3.04Å; I185-G189 PolarHBondContact O-N 3.14Å; I185-V246 HydrophobicContact CD1-CG1 4Å; I185-V246 HydrophobicContact CG1-CG1 4.36Å; I185-V246 HydrophobicContact CG2-CG1 4.35Å; I185-L247 HydrophobicContact CG2-CG 4.39Å; I185-D250 HydrophobicContact CB-CB 4.42Å; I185-D250 VanDerWaalsContact CB-OD2 3.29Å; I185-D250 WeakPolarHBondContact CB-OD2 3.38Å; I185-D250 HydrophobicContact CD1-CB 3.9Å; I185-D250 WeakPolarHBondContact CD1-OD2 3.36Å; I185-D250 HydrophobicContact CG2-CB 3.91Å; I185-V252 HydrophobicContact CG2-CG2 3.97Å; I185-M304 HydrophobicContact CD1-CE 3.83Å; I185-M304 HydrophobicContact CG1-CE 4.29Å |
| 186 | L | 92.4 | Very high | 80.1 | Confident | 65 Ų | 65 | 66 Ų | 66 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58 | -47.8 | 171.6 | -175.6 | 63.3 | 0 | 0 | 0 | 111 | P181 S182 A188 G189 K190 V252 L272 | P181-L186 HydrophobicContact CB-CB 4.34Å; S182-L186 WeakPolarHBondContact O-CB 3.41Å; S182-L186 PolarHBondContact O-N 2.71Å; L186-A188 PolarHBondContact O-N 3.09Å; L186-G189 PolarHBondContact O-N 2.95Å; L186-K190 PolarHBondContact O-N 2.81Å; L186-V252 HydrophobicContact CB-CG2 4.48Å; L186-V252 HydrophobicContact CD1-CG2 4.33Å; L186-L272 HydrophobicContact CD1-CD2 3.81Å |
| 187 | R | 93.2 | Very high | 82.9 | Confident | 75 Ų | 75 | 59.8 Ų | 59.8 | 28% | 0.283 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 174.7 | 179.9 | 57.5 | 177.9 | -156.3 | -7.4 | 111.9 | E183 I185 G189 K190 I191 E289 E293 | E183-R187 WeakPolarHBondContact O-CB 3.19Å; E183-R187 PolarHBondContact O-N 2.72Å; I185-R187 VanDerWaalsContact C-N 3.34Å; I185-R187 PolarHBondContact O-N 3.5Å; R187-G189 VanDerWaalsContact C-N 3.34Å; R187-G189 PolarHBondContact O-N 3.46Å; R187-K190 PolarHBondContact O-N 3.09Å; R187-I191 HydrophobicContact CG-CD1 3.91Å; R187-I191 WeakPolarHBondContact O-CD1 3.38Å; R187-I191 VanDerWaalsContact O-CG1 3.32Å; R187-I191 WeakPolarHBondContact O-CG1 3.4Å; R187-I191 PolarHBondContact O-N 3.07Å; R187-E289 IonicContact CZ-OE1 3.48Å; R187-E289 IonicContact NH1-OE1 2.77Å; R187-E289 PolarHBondContact NH1-OE1 3.11Å; R187-E289 IonicContact NH1-OE2 2.72Å; R187-E289 IonicContact NH2-OE1 3.4Å; R187-E289 PolarHBondContact NH2-OE1 3.22Å; R187-E289 IonicContact NH2-OE2 3.54Å; R187-E293 IonicContact CZ-OE1 3.81Å; R187-E293 IonicContact CZ-OE2 2.67Å; R187-E293 IonicContact NE-OE2 3.2Å; R187-E293 PolarHBondContact NE-OE2 2.73Å; R187-E293 IonicContact NH2-OE1 3.67Å; R187-E293 PolarHBondContact NH2-OE1 3.47Å; R187-E293 IonicContact NH2-OE2 3.32Å; R187-E293 PolarHBondContact NH2-OE2 2.88Å |
| 188 | A | 94.1 | Very high | 85.4 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 2% | 0.017 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.2 | -44.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | K184 I185 L186 K190 I191 L192 T297 | K184-A188 WeakPolarHBondContact O-CB 3.45Å; K184-A188 PolarHBondContact O-N 2.82Å; I185-A188 WeakPolarHBondContact O-CB 3.42Å; I185-A188 PolarHBondContact O-N 3.04Å; L186-A188 PolarHBondContact O-N 3.09Å; A188-K190 PolarHBondContact O-N 3.25Å; A188-I191 PolarHBondContact O-N 3.43Å; A188-L192 VanDerWaalsContact O-CG 3.3Å; A188-L192 WeakPolarHBondContact O-CG 3.47Å; A188-L192 PolarHBondContact O-N 2.72Å; A188-T297 HydrophobicContact CB-CG2 3.58Å |
| 189 | G | 94.8 | Very high | 87.8 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -44.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | I185 L186 R187 L192 R193 | I185-G189 PolarHBondContact O-N 3.14Å; L186-G189 PolarHBondContact O-N 2.95Å; R187-G189 VanDerWaalsContact C-N 3.34Å; R187-G189 PolarHBondContact O-N 3.46Å; G189-L192 PolarHBondContact O-N 3.33Å; G189-R193 WeakPolarHBondContact O-CB 3.49Å; G189-R193 PolarHBondContact O-N 3.37Å |
| 190 | K | 93.9 | Very high | 89.7 | Confident | 67 Ų | 67 | 44.7 Ų | 44.7 | 29% | 0.291 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.5 | -46.7 | 176.8 | -172.3 | 177.3 | -179.2 | -176.2 | 0 | 112.1 | L186 R187 A188 R193 N194 E286 | L186-K190 PolarHBondContact O-N 2.81Å; R187-K190 PolarHBondContact O-N 3.09Å; A188-K190 PolarHBondContact O-N 3.25Å; K190-R193 PolarHBondContact O-N 3.07Å; K190-N194 WeakPolarHBondContact O-CB 3.06Å; K190-N194 PolarHBondContact O-N 2.92Å; K190-N194 PolarHBondContact O-OD1 3.4Å; K190-E286 VanDerWaalsContact CE-OE1 3.27Å; K190-E286 WeakPolarHBondContact CE-OE1 3.36Å; K190-E286 IonicContact NZ-OE1 3.19Å; K190-E286 PolarHBondContact NZ-OE1 3.36Å |
| 191 | I | 95.2 | Very high | 91.4 | Very high | 6 Ų | 6 | 43 Ų | 43 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 178.1 | -64.9 | 160.2 | 0 | 0 | 0 | 110.3 | R187 A188 N194 A195 C290 E293 L294 T297 | R187-I191 HydrophobicContact CG-CD1 3.91Å; R187-I191 WeakPolarHBondContact O-CD1 3.38Å; R187-I191 VanDerWaalsContact O-CG1 3.32Å; R187-I191 WeakPolarHBondContact O-CG1 3.4Å; R187-I191 PolarHBondContact O-N 3.07Å; A188-I191 PolarHBondContact O-N 3.43Å; I191-N194 PolarHBondContact O-N 3.09Å; I191-A195 WeakPolarHBondContact O-CB 3.27Å; I191-A195 PolarHBondContact O-N 3.28Å; I191-C290 PolarHBondContact O-SG 2.88Å; I191-E293 HydrophobicContact CD1-CB 3.81Å; I191-E293 WeakPolarHBondContact CD1-OE2 3.5Å; I191-E293 HydrophobicContact CG1-CB 4.45Å; I191-L294 HydrophobicContact CG2-CB 4.41Å; I191-L294 HydrophobicContact CG2-CD1 4.26Å; I191-T297 WeakPolarHBondContact CD1-OG1 3.22Å |
| 192 | L | 95.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.9 | -44.5 | 179.9 | -68.8 | 177.3 | 0 | 0 | 0 | 112.3 | A188 G189 N194 A195 I196 W226 W244 L247 L294 T297 M298 L301 | A188-L192 VanDerWaalsContact O-CG 3.3Å; A188-L192 WeakPolarHBondContact O-CG 3.47Å; A188-L192 PolarHBondContact O-N 2.72Å; G189-L192 PolarHBondContact O-N 3.33Å; L192-N194 PolarHBondContact O-N 3.28Å; L192-A195 PolarHBondContact O-N 3.21Å; L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 2.96Å; L192-W226 HydrophobicContact CD2-CH2 4.17Å; L192-W226 HydrophobicContact CD2-CZ3 3.96Å; L192-W244 HydrophobicContact CB-CH2 4.43Å; L192-W244 HydrophobicContact CD1-CH2 3.95Å; L192-W244 HydrophobicContact CD1-CZ3 3.79Å; L192-L247 HydrophobicContact CD1-CD1 4.46Å; L192-L247 HydrophobicContact CD1-CD2 3.91Å; L192-L294 HydrophobicContact CD2-CD1 3.83Å; L192-T297 HydrophobicContact CG-CG2 4.31Å; L192-M298 HydrophobicContact CD2-CE 3.46Å; L192-M298 VanDerWaalsContact CD2-CE 3.46Å; L192-M298 HydrophobicContact CD2-SD 4.19Å; L192-L301 HydrophobicContact CD1-CD1 3.54Å |
| 193 | R | 95.3 | Very high | 93.1 | Very high | 11 Ų | 11 | 45.8 Ų | 45.8 | 4% | 0.042 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.5 | -49.5 | 175.3 | 179.8 | -177.3 | 172.4 | -91.1 | 1.6 | 111.1 | G189 K190 A195 I196 L197 I204 F271 D274 | G189-R193 WeakPolarHBondContact O-CB 3.49Å; G189-R193 PolarHBondContact O-N 3.37Å; K190-R193 PolarHBondContact O-N 3.07Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3.35Å; R193-I196 PolarHBondContact O-N 3.21Å; R193-L197 HydrophobicContact CG-CD1 4.15Å; R193-L197 WeakPolarHBondContact O-CG 3.27Å; R193-L197 PolarHBondContact O-N 3Å; R193-I204 HydrophobicContact CG-CD1 4.05Å; R193-F271 HydrophobicContact CB-CD1 4.05Å; R193-F271 HydrophobicContact CB-CD2 4.25Å; R193-F271 HydrophobicContact CB-CE1 4.22Å; R193-F271 HydrophobicContact CB-CE2 4.42Å; R193-F271 HydrophobicContact CB-CG 4.06Å; R193-F271 HydrophobicContact CB-CZ 4.41Å; R193-F271 HydrophobicContact CG-CB 4.47Å; R193-F271 HydrophobicContact CG-CD2 4.24Å; R193-F271 HydrophobicContact CG-CG 4.23Å; R193-D274 IonicContact CZ-OD1 3.98Å; R193-D274 IonicContact NE-OD1 2.96Å; R193-D274 PolarHBondContact NE-OD1 3.03Å; R193-D274 IonicContact NE-OD2 2.69Å; R193-D274 PolarHBondContact NE-OD2 2.91Å; R193-D274 IonicContact NH2-OD1 2.64Å; R193-D274 PolarHBondContact NH2-OD1 2.66Å |
| 194 | N | 94.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 38.1 Ų | 38.1 | 3% | 0.032 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -37.8 | -179.4 | -70.9 | -1.4 | 0 | 0 | 0 | 111.9 | K190 I191 L192 S198 P282 C290 | K190-N194 WeakPolarHBondContact O-CB 3.06Å; K190-N194 PolarHBondContact O-N 2.92Å; K190-N194 PolarHBondContact O-OD1 3.4Å; I191-N194 PolarHBondContact O-N 3.09Å; L192-N194 PolarHBondContact O-N 3.28Å; N194-S198 WeakPolarHBondContact O-CB 3.31Å; N194-S198 PolarHBondContact O-N 3.09Å; N194-S198 PolarHBondContact O-OG 3.12Å; N194-P282 HydrophobicContact CB-CB 4.24Å; N194-P282 HydrophobicContact CB-CG 4.06Å; N194-P282 WeakPolarHBondContact OD1-CG 3.38Å; N194-C290 HydrophobicContact CB-CB 4.23Å |
| 195 | A | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I191 L192 R193 S198 R199 W226 C290 L294 | I191-A195 WeakPolarHBondContact O-CB 3.27Å; I191-A195 PolarHBondContact O-N 3.28Å; L192-A195 PolarHBondContact O-N 3.21Å; R193-A195 VanDerWaalsContact C-N 3.32Å; R193-A195 PolarHBondContact O-N 3.35Å; A195-S198 PolarHBondContact O-N 3.23Å; A195-R199 WeakPolarHBondContact O-CB 3.23Å; A195-R199 WeakPolarHBondContact O-CG 3.35Å; A195-R199 PolarHBondContact O-N 3.37Å; A195-W226 HydrophobicContact CB-CH2 3.74Å; A195-W226 HydrophobicContact CB-CZ2 3.74Å; A195-C290 VanDerWaalsContact CB-SG 3.54Å; A195-C290 PolarHBondContact N-SG 3.21Å; A195-C290 VanDerWaalsContact N-SG 3.38Å; A195-L294 HydrophobicContact CB-CD1 4.01Å; A195-L294 HydrophobicContact CB-CD2 4.33Å |
| 196 | I | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 177.4 | -68.4 | 165.7 | 0 | 0 | 0 | 109.9 | L192 R193 S198 R199 A200 M203 I204 L223 W226 W244 F271 | L192-I196 VanDerWaalsContact O-CG1 3.27Å; L192-I196 WeakPolarHBondContact O-CG1 3.37Å; L192-I196 PolarHBondContact O-N 2.96Å; R193-I196 PolarHBondContact O-N 3.21Å; I196-S198 PolarHBondContact O-N 3.24Å; I196-R199 PolarHBondContact O-N 3.44Å; I196-A200 CarbonylContact O-C 3.5Å; I196-A200 VanDerWaalsContact O-CA 3.31Å; I196-A200 WeakPolarHBondContact O-CA 3.37Å; I196-A200 PolarHBondContact O-N 3.34Å; I196-M203 HydrophobicContact CG2-CB 3.76Å; I196-M203 HydrophobicContact CG2-CE 4.47Å; I196-M203 HydrophobicContact CG2-CG 4.44Å; I196-M203 HydrophobicContact CG2-SD 4.11Å; I196-I204 HydrophobicContact CB-CD1 4.43Å; I196-I204 HydrophobicContact CG2-CD1 4.03Å; I196-I204 HydrophobicContact CG2-CG1 3.76Å; I196-L223 HydrophobicContact CD1-CD2 3.84Å; I196-W226 HydrophobicContact CB-CZ2 4.46Å; I196-W226 HydrophobicContact CD1-CE3 4.33Å; I196-W226 HydrophobicContact CD1-CZ3 4.37Å; I196-W226 HydrophobicContact CG1-CD2 3.82Å; I196-W226 HydrophobicContact CG1-CE3 4.01Å; I196-W226 HydrophobicContact CG1-CG 4.5Å; I196-W226 HydrophobicContact CG1-CH2 3.81Å; I196-W226 HydrophobicContact CG1-CZ2 3.59Å; I196-W226 HydrophobicContact CG1-CZ3 4Å; I196-W244 HydrophobicContact CD1-CH2 4.29Å; I196-F271 HydrophobicContact CD1-CE2 4Å; I196-F271 HydrophobicContact CD1-CZ 3.96Å |
| 197 | L | 93.7 | Very high | 93.9 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 15% | 0.152 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.9 | -29.3 | 178.3 | -71.4 | 174.2 | 0 | 0 | 0 | 112.9 | R193 P201 I204 P282 | R193-L197 HydrophobicContact CG-CD1 4.15Å; R193-L197 WeakPolarHBondContact O-CG 3.27Å; R193-L197 PolarHBondContact O-N 3Å; L197-P201 WeakPolarHBondContact O-CG 3.32Å; L197-I204 HydrophobicContact CD2-CB 4.1Å; L197-I204 HydrophobicContact CD2-CD1 3.95Å; L197-I204 HydrophobicContact CD2-CG1 4.2Å; L197-I204 HydrophobicContact CG-CD1 3.99Å; L197-P282 HydrophobicContact CB-CG 4.17Å; L197-P282 HydrophobicContact CD1-CG 3.97Å |
| 198 | S | 91.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 41.4 Ų | 41.4 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -83.5 | -38.7 | 179.5 | -58 | 0 | 0 | 0 | 0 | 113.3 | N194 A195 I196 | N194-S198 WeakPolarHBondContact O-CB 3.31Å; N194-S198 PolarHBondContact O-N 3.09Å; N194-S198 PolarHBondContact O-OG 3.12Å; A195-S198 PolarHBondContact O-N 3.23Å; I196-S198 PolarHBondContact O-N 3.24Å |
| 199 | R | 92.1 | Very high | 93.6 | Very high | 94 Ų | 94 | 46.8 Ų | 46.8 | 36% | 0.355 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -103.7 | -28.3 | -171.5 | -60.5 | -177.9 | -177.2 | 178.5 | 7 | 113.9 | A195 I196 D291 | A195-R199 WeakPolarHBondContact O-CB 3.23Å; A195-R199 WeakPolarHBondContact O-CG 3.35Å; A195-R199 PolarHBondContact O-N 3.37Å; I196-R199 PolarHBondContact O-N 3.44Å; R199-D291 IonicContact CZ-OD1 2.69Å; R199-D291 IonicContact NE-OD1 2.72Å; R199-D291 IonicContact NH2-OD1 2.88Å; R199-D291 PolarHBondContact NH2-OD1 3.1Å |
| 200 | A | 93.7 | Very high | 93.2 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 8% | 0.083 | 25% | 0.251 | C | S | . | . | trans | -145.1 | 63.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I196 H202 M203 | I196-A200 CarbonylContact O-C 3.5Å; I196-A200 VanDerWaalsContact O-CA 3.31Å; I196-A200 WeakPolarHBondContact O-CA 3.37Å; I196-A200 PolarHBondContact O-N 3.34Å; A200-H202 PolarHBondContact O-N 3.45Å; A200-M203 HydrophobicContact CB-CG 4.02Å; A200-M203 HydrophobicContact CB-SD 3.63Å; A200-M203 WeakPolarHBondContact O-CB 3.45Å; A200-M203 PolarHBondContact O-N 3.11Å; A200-M203 VanDerWaalsContact O-N 3.09Å | ||
| 201 | P | 92.4 | Very high | 93 | Very high | 79 Ų | 79 | 59.2 Ų | 59.2 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -57.3 | -28.3 | -172.8 | -15.9 | 21.1 | 0 | 0 | 0 | 114.4 | L197 M203 I204 | L197-P201 WeakPolarHBondContact O-CG 3.32Å; P201-M203 PolarHBondContact O-N 3.04Å; P201-M203 VanDerWaalsContact O-N 3.15Å; P201-I204 PolarHBondContact O-N 3.05Å |
| 202 | H | 92.7 | Very high | 92.8 | Very high | 129 Ų | 129 | 65.6 Ų | 65.6 | 60% | 0.597 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -65 | -14.1 | -178.8 | 64.5 | -84.3 | 0 | 0 | 0 | 114.5 | A200 R205 | A200-H202 PolarHBondContact O-N 3.45Å; H202-R205 WeakPolarHBondContact O-CD 3.45Å; H202-R205 PolarHBondContact O-NE 3.32Å |
| 203 | M | 95.5 | Very high | 92.6 | Very high | 7 Ų | 7 | 69 Ų | 69 | 3% | 0.034 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -74.8 | -36.1 | -179.8 | -69.4 | -179.4 | 60 | 0 | 0 | 112.6 | I196 A200 P201 R207 E222 L223 W226 | I196-M203 HydrophobicContact CG2-CB 3.76Å; I196-M203 HydrophobicContact CG2-CE 4.47Å; I196-M203 HydrophobicContact CG2-CG 4.44Å; I196-M203 HydrophobicContact CG2-SD 4.11Å; A200-M203 HydrophobicContact CB-CG 4.02Å; A200-M203 HydrophobicContact CB-SD 3.63Å; A200-M203 WeakPolarHBondContact O-CB 3.45Å; A200-M203 PolarHBondContact O-N 3.11Å; A200-M203 VanDerWaalsContact O-N 3.09Å; P201-M203 PolarHBondContact O-N 3.04Å; P201-M203 VanDerWaalsContact O-N 3.15Å; M203-R207 PolarHBondContact O-NH2 3.23Å; M203-E222 HydrophobicContact CE-CB 4.19Å; M203-E222 VanDerWaalsContact CE-O 3.31Å; M203-E222 WeakPolarHBondContact CE-O 3.33Å; M203-L223 HydrophobicContact CE-CD2 3.93Å; M203-W226 HydrophobicContact CE-CB 3.52Å; M203-W226 HydrophobicContact CE-CG 3.93Å; M203-W226 HydrophobicContact SD-CB 3.67Å; M203-W226 HydrophobicContact SD-CG 3.67Å |
| 204 | I | 95 | Very high | 92.4 | Very high | 8 Ų | 8 | 70.1 Ų | 70.1 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -99.7 | 107.5 | 177.1 | -44.6 | -164.9 | 0 | 0 | 0 | 108.1 | R193 I196 L197 P201 Q216 F271 | R193-I204 HydrophobicContact CG-CD1 4.05Å; I196-I204 HydrophobicContact CB-CD1 4.43Å; I196-I204 HydrophobicContact CG2-CD1 4.03Å; I196-I204 HydrophobicContact CG2-CG1 3.76Å; L197-I204 HydrophobicContact CD2-CB 4.1Å; L197-I204 HydrophobicContact CD2-CD1 3.95Å; L197-I204 HydrophobicContact CD2-CG1 4.2Å; L197-I204 HydrophobicContact CG-CD1 3.99Å; P201-I204 PolarHBondContact O-N 3.05Å; I204-Q216 HydrophobicContact CG2-CB 4.26Å; I204-F271 HydrophobicContact CD1-CD2 4.11Å; I204-F271 HydrophobicContact CD1-CE2 4.22Å |
| 205 | R | 93.7 | Very high | 92.3 | Very high | 118 Ų | 118 | 75.5 Ų | 75.5 | 45% | 0.445 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.6 | 170 | -179.2 | 60.5 | -177.8 | 177.8 | 95.8 | -2.5 | 111.9 | H202 R207 C217 | H202-R205 WeakPolarHBondContact O-CD 3.45Å; H202-R205 PolarHBondContact O-NE 3.32Å; R205-R207 HydrophobicContact CG-CG 4.42Å; R205-C217 PolarHBondContact N-O 2.84Å; R205-C217 PolarHBondContact O-N 3.1Å |
| 206 | D | 93.4 | Very high | 92.1 | Very high | 73 Ų | 73 | 79.3 Ų | 79.3 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 134 | 171.4 | -64.8 | -2.7 | 0 | 0 | 0 | 111.1 | T213 Y214 R215 Q216 | D206-T213 HydrophobicContact CB-CG2 4.19Å; D206-Y214 WeakPolarHBondContact CA-O 3.37Å; D206-R215 WeakPolarHBondContact OD1-CA 3.1Å; D206-Q216 PolarHBondContact OD1-N 2.78Å |
| 207 | R | 93.8 | Very high | 92 | Very high | 7 Ų | 7 | 79.3 Ų | 79.3 | 3% | 0.026 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 137.3 | 179.3 | -59.8 | -176.3 | -175 | -110.3 | 0.1 | 110 | M203 R205 T213 Y214 C217 V219 E222 F268 | M203-R207 PolarHBondContact O-NH2 3.23Å; R205-R207 HydrophobicContact CG-CG 4.42Å; R207-T213 CarbonylContact O-C 3.59Å; R207-T213 WeakPolarHBondContact O-CA 3.25Å; R207-Y214 PolarHBondContact N-O 3.03Å; R207-Y214 PolarHBondContact O-N 2.72Å; R207-C217 PolarHBondContact NE-O 3.01Å; R207-C217 VanDerWaalsContact NE-O 3.08Å; R207-V219 VanDerWaalsContact CZ-CG2 3.48Å; R207-E222 IonicContact CZ-OE1 2.85Å; R207-E222 IonicContact CZ-OE2 3.28Å; R207-E222 IonicContact NH1-OE1 2.76Å; R207-E222 PolarHBondContact NH1-OE1 3.2Å; R207-E222 IonicContact NH1-OE2 3.15Å; R207-E222 IonicContact NH2-OE1 3.17Å; R207-E222 IonicContact NH2-OE2 2.69Å; R207-E222 PolarHBondContact NH2-OE2 2.98Å; R207-F268 HydrophobicContact CB-CE1 4.28Å; R207-F268 HydrophobicContact CB-CE2 4.5Å; R207-F268 HydrophobicContact CB-CZ 4.18Å |
| 208 | K | 91 | Very high | 92.1 | Very high | 171 Ų | 171 | 78 Ų | 78 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 128.5 | 178.9 | -67.5 | -175.7 | 178.9 | 178.7 | 0 | 110.1 | K212 T213 | K208-K212 WeakPolarHBondContact CA-O 3.36Å; K208-T213 HydrophobicContact CG-CG2 4.26Å |
| 209 | Y | 89.8 | Confident | 92.4 | Very high | 115 Ų | 115 | 75.6 Ų | 75.6 | 45% | 0.451 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 131.4 | 176.9 | -170.9 | -110.1 | 0 | 0 | 0 | 109.7 | L211 K212 F268 | Y209-L211 VanDerWaalsContact C-N 3.26Å; Y209-L211 PolarHBondContact O-N 2.84Å; Y209-K212 PolarHBondContact N-O 3.45Å; Y209-K212 PolarHBondContact O-N 2.66Å; Y209-F268 HydrophobicContact CG-CE2 4.15Å; Y209-F268 HydrophobicContact CG-CZ 4.37Å |
| 210 | H | 86.3 | Confident | 92.6 | Very high | 149 Ų | 149 | 71.1 Ų | 71.1 | 69% | 0.69 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.2 | 48.3 | -172.7 | -69.2 | -63.2 | 0 | 0 | 0 | 114.3 | K212 | H210-K212 PolarHBondContact O-N 2.68Š|
| 211 | L | 89.1 | Confident | 92.7 | Very high | 181 Ų | 181 | 72.6 Ų | 72.6 | 95% | 0.948 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.9 | -4.1 | -179.3 | -53.6 | 168.7 | 0 | 0 | 0 | 115.7 | Y209 | Y209-L211 VanDerWaalsContact C-N 3.26Å; Y209-L211 PolarHBondContact O-N 2.84Å |
| 212 | K | 91.4 | Very high | 92.9 | Very high | 141 Ų | 141 | 71.1 Ų | 71.1 | 61% | 0.613 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 141.2 | 169 | -65.9 | -174.6 | -179.6 | -179.5 | 0 | 110.1 | K208 Y209 H210 Y214 | K208-K212 WeakPolarHBondContact CA-O 3.36Å; Y209-K212 PolarHBondContact N-O 3.45Å; Y209-K212 PolarHBondContact O-N 2.66Å; H210-K212 PolarHBondContact O-N 2.68Å; K212-Y214 HydrophobicContact CB-CE2 3.9Å |
| 213 | T | 90.2 | Very high | 93.1 | Very high | 71 Ų | 71 | 65 Ų | 65 | 44% | 0.436 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 118.2 | 173.1 | -55.2 | 0 | 0 | 0 | 0 | 108.6 | D206 R207 K208 | D206-T213 HydrophobicContact CB-CG2 4.19Å; R207-T213 CarbonylContact O-C 3.59Å; R207-T213 WeakPolarHBondContact O-CA 3.25Å; K208-T213 HydrophobicContact CG-CG2 4.26Å |
| 214 | Y | 91.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 64.7 Ų | 64.7 | 14% | 0.137 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 109 | 174 | -64.3 | -92.9 | 0 | 0 | 0 | 107.9 | D206 R207 K212 C217 V256 F268 | D206-Y214 WeakPolarHBondContact CA-O 3.37Å; R207-Y214 PolarHBondContact N-O 3.03Å; R207-Y214 PolarHBondContact O-N 2.72Å; K212-Y214 HydrophobicContact CB-CE2 3.9Å; Y214-C217 PolarHBondContact O-SG 3.49Å; Y214-V256 HydrophobicContact CD1-CB 3.71Å; Y214-V256 HydrophobicContact CD1-CG1 4.03Å; Y214-V256 HydrophobicContact CD1-CG2 3.53Å; Y214-V256 HydrophobicContact CE1-CB 3.98Å; Y214-V256 HydrophobicContact CE1-CG2 3.47Å; Y214-V256 VanDerWaalsContact CE1-CG2 3.47Å; Y214-F268 HydrophobicContact CD1-CD2 4.27Å; Y214-F268 AromaticContact CD2-CD2 3.72Å; Y214-F268 HydrophobicContact CD2-CD2 3.72Å; Y214-F268 AromaticContact CD2-CE2 3.75Å; Y214-F268 HydrophobicContact CD2-CE2 3.75Å; Y214-F268 HydrophobicContact CE2-CD2 4.18Å; Y214-F268 HydrophobicContact CE2-CE2 4.13Å; Y214-F268 AromaticContact CG-CD2 3.76Å; Y214-F268 HydrophobicContact CG-CD2 3.76Å; Y214-F268 HydrophobicContact CG-CE2 4.25Å |
| 215 | R | 91.6 | Very high | 93.2 | Very high | 118 Ų | 118 | 67.3 Ų | 67.3 | 45% | 0.445 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 144.6 | -175.2 | -66 | 178.1 | 68.1 | 149.7 | -2.5 | 112 | D206 C217 R270 E277 | D206-R215 WeakPolarHBondContact OD1-CA 3.1Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 2.58Å; R215-C217 VanDerWaalsContact O-N 3.16Å; R215-R270 PolarHBondContact O-NE 3.3Å; R215-R270 VanDerWaalsContact O-NE 3.15Å; R215-E277 IonicContact CZ-OE1 3.27Å; R215-E277 VanDerWaalsContact CZ-OE1 3.27Å; R215-E277 IonicContact NH1-OE1 2.69Å; R215-E277 PolarHBondContact NH1-OE1 3.26Å; R215-E277 IonicContact NH2-OE1 3.25Å; R215-E277 PolarHBondContact NH2-OE1 3Å |
| 216 | Q | 90.9 | Very high | 93.3 | Very high | 81 Ų | 81 | 62 Ų | 62 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 40.8 | 53 | 171.6 | -60.8 | -61.9 | -17.2 | 0 | 0 | 113.9 | I204 D206 D274 | I204-Q216 HydrophobicContact CG2-CB 4.26Å; D206-Q216 PolarHBondContact OD1-N 2.78Å; Q216-D274 HydrophobicContact CB-CB 4.13Å |
| 217 | C | 93.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 153.2 | -175 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | R205 R207 Y214 R215 V256 F268 Y269 | R205-C217 PolarHBondContact N-O 2.84Å; R205-C217 PolarHBondContact O-N 3.1Å; R207-C217 PolarHBondContact NE-O 3.01Å; R207-C217 VanDerWaalsContact NE-O 3.08Å; Y214-C217 PolarHBondContact O-SG 3.49Å; R215-C217 VanDerWaalsContact C-N 3.31Å; R215-C217 PolarHBondContact O-N 2.58Å; R215-C217 VanDerWaalsContact O-N 3.16Å; C217-V256 HydrophobicContact CB-CG1 4.33Å; C217-F268 HydrophobicContact CB-CB 4.25Å; C217-Y269 CarbonylContact C-O 3.54Å; C217-Y269 WeakPolarHBondContact CA-O 3.43Å; C217-Y269 WeakPolarHBondContact CB-O 3.45Å |
| 218 | C | 95.9 | Very high | 93.3 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 161.9 | 176 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | L223 F268 Y269 | C218-L223 HydrophobicContact CB-CD1 3.75Å; C218-L223 HydrophobicContact CB-CD2 3.88Å; C218-L223 HydrophobicContact CB-CG 3.79Å; C218-F268 CarbonylContact O-C 3.55Å; C218-F268 VanDerWaalsContact O-CA 3.25Å; C218-F268 WeakPolarHBondContact O-CA 3.33Å; C218-Y269 PolarHBondContact N-O 3.1Å; C218-Y269 PolarHBondContact O-N 2.65Å |
| 219 | V | 96.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 137.6 | 170.8 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | R207 T221 E222 L223 Y266 L267 F268 | R207-V219 VanDerWaalsContact CZ-CG2 3.48Å; V219-T221 WeakPolarHBondContact CG1-OG1 3.38Å; V219-T221 PolarHBondContact O-N 2.89Å; V219-E222 HydrophobicContact CB-CB 4.2Å; V219-E222 HydrophobicContact CB-CG 3.94Å; V219-E222 HydrophobicContact CG1-CG 4.41Å; V219-E222 PolarHBondContact O-N 3.46Å; V219-L223 PolarHBondContact O-N 3.41Å; V219-Y266 HydrophobicContact CG1-CD2 3.7Å; V219-Y266 HydrophobicContact CG1-CE2 4.16Å; V219-Y266 HydrophobicContact CG1-CG 4.33Å; V219-Y266 HydrophobicContact CG2-CD2 4.33Å; V219-Y266 HydrophobicContact CG2-CE2 4Å; V219-L267 WeakPolarHBondContact CA-O 3.18Å; V219-F268 HydrophobicContact CG2-CD1 3.83Å; V219-F268 HydrophobicContact CG2-CE1 3.87Å |
| 220 | G | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -50.6 | -49.6 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | E222 L223 V224 L267 | G220-E222 VanDerWaalsContact C-N 3.35Å; G220-E222 PolarHBondContact O-N 3.37Å; G220-L223 PolarHBondContact O-N 2.84Å; G220-V224 WeakPolarHBondContact O-CG2 3.43Å; G220-V224 PolarHBondContact O-N 2.92Å; G220-V224 VanDerWaalsContact O-N 3.1Å; G220-L267 PolarHBondContact N-O 3.29Å |
| 221 | T | 96.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 49.8 Ų | 49.8 | 25% | 0.245 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 177.1 | 53.1 | 0 | 0 | 0 | 0 | 113.2 | V219 V224 D225 D264 K265 | V219-T221 WeakPolarHBondContact CG1-OG1 3.38Å; V219-T221 PolarHBondContact O-N 2.89Å; T221-V224 PolarHBondContact O-N 3.09Å; T221-D225 VanDerWaalsContact O-CG 3.22Å; T221-D225 PolarHBondContact O-N 3.31Å; T221-D264 WeakPolarHBondContact CA-OD1 3.3Å; T221-D264 WeakPolarHBondContact CG2-OD1 3.4Å; T221-K265 PolarHBondContact N-O 3.21Å |
| 222 | E | 97.1 | Very high | 92.3 | Very high | 49 Ų | 49 | 44.1 Ų | 44.1 | 23% | 0.229 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.2 | -38.2 | 179.6 | -65.7 | 176.8 | -162 | 0 | 0 | 111.1 | M203 R207 V219 G220 D225 W226 | M203-E222 HydrophobicContact CE-CB 4.19Å; M203-E222 VanDerWaalsContact CE-O 3.31Å; M203-E222 WeakPolarHBondContact CE-O 3.33Å; R207-E222 IonicContact CZ-OE1 2.85Å; R207-E222 IonicContact CZ-OE2 3.28Å; R207-E222 IonicContact NH1-OE1 2.76Å; R207-E222 PolarHBondContact NH1-OE1 3.2Å; R207-E222 IonicContact NH1-OE2 3.15Å; R207-E222 IonicContact NH2-OE1 3.17Å; R207-E222 IonicContact NH2-OE2 2.69Å; R207-E222 PolarHBondContact NH2-OE2 2.98Å; V219-E222 HydrophobicContact CB-CB 4.2Å; V219-E222 HydrophobicContact CB-CG 3.94Å; V219-E222 HydrophobicContact CG1-CG 4.41Å; V219-E222 PolarHBondContact O-N 3.46Å; G220-E222 VanDerWaalsContact C-N 3.35Å; G220-E222 PolarHBondContact O-N 3.37Å; E222-D225 PolarHBondContact O-N 3.02Å; E222-W226 WeakPolarHBondContact O-CB 3.22Å; E222-W226 PolarHBondContact O-N 3.28Å |
| 223 | L | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.4 | -40.8 | 175 | -72.3 | 174.8 | 0 | 0 | 0 | 112.1 | I196 M203 C218 V219 G220 M227 W244 L253 F262 | I196-L223 HydrophobicContact CD1-CD2 3.84Å; M203-L223 HydrophobicContact CE-CD2 3.93Å; C218-L223 HydrophobicContact CB-CD1 3.75Å; C218-L223 HydrophobicContact CB-CD2 3.88Å; C218-L223 HydrophobicContact CB-CG 3.79Å; V219-L223 PolarHBondContact O-N 3.41Å; G220-L223 PolarHBondContact O-N 2.84Å; L223-M227 WeakPolarHBondContact O-CB 3.17Å; L223-M227 PolarHBondContact O-N 2.87Å; L223-W244 HydrophobicContact CB-CD2 4.42Å; L223-W244 HydrophobicContact CB-CZ2 3.94Å; L223-W244 HydrophobicContact CD2-CH2 3.97Å; L223-W244 HydrophobicContact CD2-CZ2 3.95Å; L223-W244 HydrophobicContact CG-CZ2 4.46Å; L223-W244 PolarHBondContact O-NE1 2.78Å; L223-W244 VanDerWaalsContact O-NE1 3.09Å; L223-L253 HydrophobicContact CD1-CD2 4.14Å; L223-F262 HydrophobicContact CB-CZ 4.32Å; L223-F262 HydrophobicContact CD1-CE2 4.04Å |
| 224 | V | 96.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.5 | -48.9 | 174.5 | 168.6 | 0 | 0 | 0 | 0 | 110.6 | G220 T221 W226 M227 M228 R237 A240 V241 F262 D264 | G220-V224 WeakPolarHBondContact O-CG2 3.43Å; G220-V224 PolarHBondContact O-N 2.92Å; G220-V224 VanDerWaalsContact O-N 3.1Å; T221-V224 PolarHBondContact O-N 3.09Å; V224-W226 VanDerWaalsContact C-N 3.34Å; V224-W226 PolarHBondContact O-N 3.14Å; V224-M227 PolarHBondContact O-N 2.66Å; V224-M228 HydrophobicContact CG1-SD 4.25Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 3.36Å; V224-M228 VanDerWaalsContact O-N 3.1Å; V224-R237 HydrophobicContact CG1-CB 3.91Å; V224-R237 HydrophobicContact CG1-CG 4.03Å; V224-A240 HydrophobicContact CB-CB 4.44Å; V224-A240 HydrophobicContact CG1-CB 3.99Å; V224-A240 HydrophobicContact CG2-CB 4.29Å; V224-V241 HydrophobicContact CG2-CG2 4.34Å; V224-F262 HydrophobicContact CG2-CE1 3.81Å; V224-F262 HydrophobicContact CG2-CZ 4.1Å; V224-D264 HydrophobicContact CG2-CB 4.2Å |
| 225 | D | 95.2 | Very high | 91.3 | Very high | 64 Ų | 64 | 34.5 Ų | 34.5 | 34% | 0.342 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.8 | -46.2 | 179.1 | -70.8 | -22.9 | 0 | 0 | 0 | 111.7 | T221 E222 M228 Q229 R237 | T221-D225 VanDerWaalsContact O-CG 3.22Å; T221-D225 PolarHBondContact O-N 3.31Å; E222-D225 PolarHBondContact O-N 3.02Å; D225-M228 PolarHBondContact O-N 3.19Å; D225-Q229 VanDerWaalsContact O-CG 3.29Å; D225-Q229 WeakPolarHBondContact O-CG 3.4Å; D225-Q229 PolarHBondContact O-N 3.05Å; D225-Q229 VanDerWaalsContact O-N 3.14Å; D225-R237 IonicContact OD1-CZ 3.42Å; D225-R237 IonicContact OD1-NH1 3.06Å; D225-R237 PolarHBondContact OD1-NH1 2.72Å; D225-R237 IonicContact OD1-NH2 3.94Å; D225-R237 PolarHBondContact OD1-NH2 3.28Å |
| 226 | W | 95.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.027 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.4 | -47.3 | -180 | -178.9 | 90.1 | 0 | 0 | 0 | 111.8 | L192 A195 I196 M203 E222 V224 M228 Q229 Q230 W244 L294 M298 | L192-W226 HydrophobicContact CD2-CH2 4.17Å; L192-W226 HydrophobicContact CD2-CZ3 3.96Å; A195-W226 HydrophobicContact CB-CH2 3.74Å; A195-W226 HydrophobicContact CB-CZ2 3.74Å; I196-W226 HydrophobicContact CB-CZ2 4.46Å; I196-W226 HydrophobicContact CD1-CE3 4.33Å; I196-W226 HydrophobicContact CD1-CZ3 4.37Å; I196-W226 HydrophobicContact CG1-CD2 3.82Å; I196-W226 HydrophobicContact CG1-CE3 4.01Å; I196-W226 HydrophobicContact CG1-CG 4.5Å; I196-W226 HydrophobicContact CG1-CH2 3.81Å; I196-W226 HydrophobicContact CG1-CZ2 3.59Å; I196-W226 HydrophobicContact CG1-CZ3 4Å; M203-W226 HydrophobicContact CE-CB 3.52Å; M203-W226 HydrophobicContact CE-CG 3.93Å; M203-W226 HydrophobicContact SD-CB 3.67Å; M203-W226 HydrophobicContact SD-CG 3.67Å; E222-W226 WeakPolarHBondContact O-CB 3.22Å; E222-W226 PolarHBondContact O-N 3.28Å; V224-W226 VanDerWaalsContact C-N 3.34Å; V224-W226 PolarHBondContact O-N 3.14Å; W226-M228 VanDerWaalsContact C-N 3.33Å; W226-M228 PolarHBondContact O-N 2.85Å; W226-Q229 PolarHBondContact O-N 2.82Å; W226-Q230 HydrophobicContact CD2-CG 3.66Å; W226-Q230 VanDerWaalsContact CE2-CG 3.43Å; W226-Q230 HydrophobicContact CE3-CG 3.87Å; W226-Q230 HydrophobicContact CG-CG 4.35Å; W226-Q230 HydrophobicContact CH2-CG 3.7Å; W226-Q230 HydrophobicContact CZ2-CG 3.47Å; W226-Q230 VanDerWaalsContact CZ2-CG 3.47Å; W226-Q230 HydrophobicContact CZ3-CG 3.89Å; W226-Q230 WeakPolarHBondContact O-CG 3.39Å; W226-Q230 PolarHBondContact O-N 2.67Å; W226-W244 HydrophobicContact CE3-CZ2 4.31Å; W226-L294 HydrophobicContact CH2-CD1 4.36Å; W226-M298 HydrophobicContact CH2-CE 4.14Å; W226-M298 HydrophobicContact CZ3-CE 3.67Å |
| 227 | M | 94.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -42 | -179.6 | -177.7 | 175.9 | -84.8 | 0 | 0 | 111.7 | L223 V224 Q229 Q230 V234 A240 M243 W244 M298 | L223-M227 WeakPolarHBondContact O-CB 3.17Å; L223-M227 PolarHBondContact O-N 2.87Å; V224-M227 PolarHBondContact O-N 2.66Å; M227-Q229 VanDerWaalsContact C-N 3.27Å; M227-Q229 PolarHBondContact O-N 3.11Å; M227-Q230 PolarHBondContact O-N 3.3Å; M227-V234 HydrophobicContact CG-CG2 4.15Å; M227-A240 HydrophobicContact SD-CB 4.08Å; M227-M243 HydrophobicContact CE-CB 4.1Å; M227-M243 HydrophobicContact CE-CE 4.09Å; M227-M243 HydrophobicContact CG-CE 4.37Å; M227-M243 HydrophobicContact SD-CB 3.75Å; M227-M243 HydrophobicContact SD-CE 3.61Å; M227-M243 HydrophobicContact SD-CG 4.41Å; M227-M243 HydrophobicContact SD-SD 3.84Å; M227-W244 HydrophobicContact CB-CZ2 4.22Å; M227-W244 HydrophobicContact CE-CD2 3.76Å; M227-W244 HydrophobicContact CE-CE3 4.29Å; M227-W244 HydrophobicContact CE-CG 4.24Å; M227-W244 HydrophobicContact CE-CH2 4.11Å; M227-W244 HydrophobicContact CE-CZ2 3.56Å; M227-W244 HydrophobicContact CE-CZ3 4.45Å; M227-M298 HydrophobicContact CE-SD 4.15Å; M227-M298 HydrophobicContact CG-CE 4.23Å; M227-M298 HydrophobicContact CG-SD 4.03Å |
| 228 | M | 92.3 | Very high | 91.3 | Very high | 68 Ų | 68 | 34.9 Ų | 34.9 | 34% | 0.335 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -64.6 | -28.8 | 175.7 | -70.5 | -174 | 68.9 | 0 | 0 | 113.3 | V224 D225 W226 V234 R237 A240 | V224-M228 HydrophobicContact CG1-SD 4.25Å; V224-M228 WeakPolarHBondContact O-CG 3.45Å; V224-M228 PolarHBondContact O-N 3.36Å; V224-M228 VanDerWaalsContact O-N 3.1Å; D225-M228 PolarHBondContact O-N 3.19Å; W226-M228 VanDerWaalsContact C-N 3.33Å; W226-M228 PolarHBondContact O-N 2.85Å; M228-V234 HydrophobicContact CG-CG1 3.95Å; M228-R237 HydrophobicContact CE-CG 4.45Å; M228-R237 HydrophobicContact SD-CB 4.35Å; M228-R237 HydrophobicContact SD-CG 3.61Å; M228-A240 HydrophobicContact CG-CB 4.49Å |
| 229 | Q | 91.6 | Very high | 91.1 | Very high | 152 Ų | 152 | 36 Ų | 36 | 71% | 0.71 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -81.1 | -27.8 | 177.1 | -70.6 | 172 | 18.5 | 0 | 0 | 113.2 | D225 W226 M227 | D225-Q229 VanDerWaalsContact O-CG 3.29Å; D225-Q229 WeakPolarHBondContact O-CG 3.4Å; D225-Q229 PolarHBondContact O-N 3.05Å; D225-Q229 VanDerWaalsContact O-N 3.14Å; W226-Q229 PolarHBondContact O-N 2.82Å; M227-Q229 VanDerWaalsContact C-N 3.27Å; M227-Q229 PolarHBondContact O-N 3.11Å |
| 230 | Q | 86.8 | Confident | 91 | Very high | 34 Ų | 34 | 36 Ų | 36 | 16% | 0.159 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -77.3 | -31 | -174.3 | -68 | -37.5 | -67.3 | 0 | 0 | 113.9 | W226 M227 M298 | W226-Q230 HydrophobicContact CD2-CG 3.66Å; W226-Q230 VanDerWaalsContact CE2-CG 3.43Å; W226-Q230 HydrophobicContact CE3-CG 3.87Å; W226-Q230 HydrophobicContact CG-CG 4.35Å; W226-Q230 HydrophobicContact CH2-CG 3.7Å; W226-Q230 HydrophobicContact CZ2-CG 3.47Å; W226-Q230 VanDerWaalsContact CZ2-CG 3.47Å; W226-Q230 HydrophobicContact CZ3-CG 3.89Å; W226-Q230 WeakPolarHBondContact O-CG 3.39Å; W226-Q230 PolarHBondContact O-N 2.67Å; M227-Q230 PolarHBondContact O-N 3.3Å; Q230-M298 HydrophobicContact CB-CE 4.16Å |
| 231 | T | 80.9 | Confident | 91 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | trans | -144.6 | 139 | -169.9 | -166.7 | 0 | 0 | 0 | 0 | 113 | C233 V234 Q295 M298 | T231-C233 WeakPolarHBondContact CG2-SG 3.47Å; T231-C233 PolarHBondContact O-N 3.28Å; T231-C233 PolarHBondContact OG1-SG 3.48Å; T231-C233 VanDerWaalsContact OG1-SG 3.33Å; T231-V234 HydrophobicContact CG2-CB 4.38Å; T231-V234 HydrophobicContact CG2-CG2 3.71Å; T231-Q295 PolarHBondContact OG1-NE2 3Å; T231-Q295 PolarHBondContact OG1-OE1 2.96Å; T231-M298 HydrophobicContact CG2-CB 4.08Å; T231-M298 HydrophobicContact CG2-CG 3.96Å; T231-M298 HydrophobicContact CG2-SD 4.08Å | ||
| 232 | P | 76.5 | Confident | 90.8 | Very high | 61 Ų | 61 | 34.8 Ų | 34.8 | 40% | 0.396 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -7.7 | 177.5 | 31.3 | -35.6 | 0 | 0 | 0 | 113.8 | V234 E877 | P232-V234 PolarHBondContact O-N 2.57Å; P232-E877 HydrophobicContact CG-CB 4.39Å; P232-E877 HydrophobicContact CG-CG 4.03Å |
| 233 | C | 79.2 | Confident | 90.8 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 7% | 0.074 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -10 | 179.3 | 70.4 | 0 | 0 | 0 | 0 | 113.6 | T231 H235 Q239 | T231-C233 WeakPolarHBondContact CG2-SG 3.47Å; T231-C233 PolarHBondContact O-N 3.28Å; T231-C233 PolarHBondContact OG1-SG 3.48Å; T231-C233 VanDerWaalsContact OG1-SG 3.33Å; C233-H235 PolarHBondContact O-CE1 3.28Å; C233-H235 PolarHBondContact O-ND1 2.9Å; C233-Q239 PolarHBondContact O-NE2 3.37Å; C233-Q239 VanDerWaalsContact O-NE2 3.11Å |
| 234 | V | 87.7 | Confident | 90.7 | Very high | 11 Ų | 11 | 32.5 Ų | 32.5 | 7% | 0.067 | 17% | 0.169 | C | C | . | . | trans | -99.9 | 116.2 | 176 | -175.7 | 0 | 0 | 0 | 0 | 109.9 | M227 M228 T231 P232 Q239 A240 M243 | M227-V234 HydrophobicContact CG-CG2 4.15Å; M228-V234 HydrophobicContact CG-CG1 3.95Å; T231-V234 HydrophobicContact CG2-CB 4.38Å; T231-V234 HydrophobicContact CG2-CG2 3.71Å; P232-V234 PolarHBondContact O-N 2.57Å; V234-Q239 HydrophobicContact CG1-CB 4.42Å; V234-A240 HydrophobicContact CG1-CB 4.04Å; V234-M243 HydrophobicContact CG1-SD 4.46Å; V234-M243 HydrophobicContact CG2-CE 3.71Å; V234-M243 HydrophobicContact CG2-SD 3.46Å; V234-M243 WeakPolarHBondContact CG2-SD 3.39Å | ||
| 235 | H | 86.6 | Confident | 90.7 | Very high | 24 Ų | 24 | 32.7 Ų | 32.7 | 11% | 0.111 | 17% | 0.171 | C | C | . | . | trans | -102.6 | -20.7 | -168.1 | -61.8 | 83.1 | 0 | 0 | 0 | 113.2 | C233 Q239 L893 T894 K897 | C233-H235 PolarHBondContact O-CE1 3.28Å; C233-H235 PolarHBondContact O-ND1 2.9Å; H235-Q239 PolarHBondContact ND1-OE1 2.84Å; H235-L893 HydrophobicContact CB-CB 4.39Å; H235-L893 HydrophobicContact CB-CD1 4.3Å; H235-T894 PolarHBondContact NE2-OG1 3.12Å; H235-K897 VanDerWaalsContact CA-NZ 3.27Å; H235-K897 PolarHBondContact O-NZ 2.75Å | ||
| 236 | S | 90.6 | Very high | 90.6 | Very high | 49 Ų | 49 | 29.7 Ų | 29.7 | 34% | 0.343 | 15% | 0.154 | S | C | . | . | trans | -150 | 159.7 | -177.7 | 68 | 0 | 0 | 0 | 0 | 111.5 | T238 Q239 A240 | S236-T238 VanDerWaalsContact C-N 3.25Å; S236-T238 PolarHBondContact O-N 3.37Å; S236-Q239 WeakPolarHBondContact O-CB 2.82Å; S236-Q239 PolarHBondContact O-N 2.78Å; S236-Q239 PolarHBondContact OG-N 3.1Å; S236-Q239 VanDerWaalsContact OG-N 3.12Å; S236-A240 PolarHBondContact O-N 2.93Å | ||
| 237 | R | 93.6 | Very high | 90.6 | Very high | 88 Ų | 88 | 29.3 Ų | 29.3 | 33% | 0.332 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.3 | -38.6 | 173.1 | -58 | -176 | 73.9 | 79 | 6 | 111.2 | V224 D225 M228 Q239 A240 V241 D264 | V224-R237 HydrophobicContact CG1-CB 3.91Å; V224-R237 HydrophobicContact CG1-CG 4.03Å; D225-R237 IonicContact OD1-CZ 3.42Å; D225-R237 IonicContact OD1-NH1 3.06Å; D225-R237 PolarHBondContact OD1-NH1 2.72Å; D225-R237 IonicContact OD1-NH2 3.94Å; D225-R237 PolarHBondContact OD1-NH2 3.28Å; M228-R237 HydrophobicContact CE-CG 4.45Å; M228-R237 HydrophobicContact SD-CB 4.35Å; M228-R237 HydrophobicContact SD-CG 3.61Å; R237-Q239 VanDerWaalsContact C-N 3.33Å; R237-Q239 PolarHBondContact O-N 2.98Å; R237-A240 WeakPolarHBondContact O-CB 3.3Å; R237-A240 PolarHBondContact O-N 2.87Å; R237-A240 VanDerWaalsContact O-N 3.14Å; R237-V241 WeakPolarHBondContact O-CG2 3.43Å; R237-V241 PolarHBondContact O-N 3.36Å; R237-D264 IonicContact CZ-OD1 3.5Å; R237-D264 IonicContact CZ-OD2 3.24Å; R237-D264 VanDerWaalsContact CZ-OD2 3.32Å; R237-D264 IonicContact NE-OD1 2.83Å; R237-D264 IonicContact NE-OD2 3.49Å; R237-D264 PolarHBondContact NE-OD2 2.88Å; R237-D264 IonicContact NH2-OD1 3.61Å; R237-D264 PolarHBondContact NH2-OD1 3.24Å; R237-D264 IonicContact NH2-OD2 3.8Å; R237-D264 PolarHBondContact NH2-OD2 3.36Å |
| 238 | T | 91 | Very high | 90.5 | Very high | 70 Ų | 70 | 30.5 Ų | 30.5 | 43% | 0.429 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -59.6 | -40.4 | 175.2 | -47.6 | 0 | 0 | 0 | 0 | 112.4 | S236 V241 G242 H309 I328 | S236-T238 VanDerWaalsContact C-N 3.25Å; S236-T238 PolarHBondContact O-N 3.37Å; T238-V241 PolarHBondContact O-N 3.17Å; T238-G242 PolarHBondContact O-N 3.03Å; T238-H309 VanDerWaalsContact CG2-CE1 3.47Å; T238-H309 WeakPolarHBondContact CG2-CE1 3.47Å; T238-H309 PolarHBondContact O-CE1 2.78Å; T238-H309 PolarHBondContact O-ND1 3.5Å; T238-H309 VanDerWaalsContact O-ND1 3.12Å; T238-I328 HydrophobicContact CG2-CD1 3.59Å; T238-I328 HydrophobicContact CG2-CG1 4.36Å |
| 239 | Q | 91.1 | Very high | 90.2 | Very high | 23 Ų | 23 | 30.8 Ų | 30.8 | 11% | 0.107 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65 | -44.1 | 174.4 | -173.4 | -175.4 | -0.6 | 0 | 0 | 110.9 | C233 V234 H235 S236 R237 V241 G242 M243 | C233-Q239 PolarHBondContact O-NE2 3.37Å; C233-Q239 VanDerWaalsContact O-NE2 3.11Å; V234-Q239 HydrophobicContact CG1-CB 4.42Å; H235-Q239 PolarHBondContact ND1-OE1 2.84Å; S236-Q239 WeakPolarHBondContact O-CB 2.82Å; S236-Q239 PolarHBondContact O-N 2.78Å; S236-Q239 PolarHBondContact OG-N 3.1Å; S236-Q239 VanDerWaalsContact OG-N 3.12Å; R237-Q239 VanDerWaalsContact C-N 3.33Å; R237-Q239 PolarHBondContact O-N 2.98Å; Q239-V241 VanDerWaalsContact C-N 3.32Å; Q239-V241 PolarHBondContact O-N 2.9Å; Q239-G242 PolarHBondContact O-N 3.19Å; Q239-M243 HydrophobicContact CG-SD 4.19Å; Q239-M243 WeakPolarHBondContact O-CG 3.32Å; Q239-M243 PolarHBondContact O-N 3.2Å |
| 240 | A | 94.7 | Very high | 90 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -39.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V224 M227 M228 V234 S236 R237 G242 M243 W244 | V224-A240 HydrophobicContact CB-CB 4.44Å; V224-A240 HydrophobicContact CG1-CB 3.99Å; V224-A240 HydrophobicContact CG2-CB 4.29Å; M227-A240 HydrophobicContact SD-CB 4.08Å; M228-A240 HydrophobicContact CG-CB 4.49Å; V234-A240 HydrophobicContact CG1-CB 4.04Å; S236-A240 PolarHBondContact O-N 2.93Å; R237-A240 WeakPolarHBondContact O-CB 3.3Å; R237-A240 PolarHBondContact O-N 2.87Å; R237-A240 VanDerWaalsContact O-N 3.14Å; A240-G242 VanDerWaalsContact C-N 3.34Å; A240-G242 PolarHBondContact O-N 3.01Å; A240-M243 PolarHBondContact O-N 2.97Å; A240-W244 PolarHBondContact O-N 3.32Å |
| 241 | V | 95.3 | Very high | 90.1 | Very high | 14 Ų | 14 | 25 Ų | 25 | 9% | 0.085 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -56.4 | -48 | 173.3 | 165.7 | 0 | 0 | 0 | 0 | 111 | V224 R237 T238 Q239 M243 W244 Q245 F262 D264 M312 | V224-V241 HydrophobicContact CG2-CG2 4.34Å; R237-V241 WeakPolarHBondContact O-CG2 3.43Å; R237-V241 PolarHBondContact O-N 3.36Å; T238-V241 PolarHBondContact O-N 3.17Å; Q239-V241 VanDerWaalsContact C-N 3.32Å; Q239-V241 PolarHBondContact O-N 2.9Å; V241-M243 VanDerWaalsContact C-N 3.34Å; V241-M243 PolarHBondContact O-N 2.79Å; V241-W244 PolarHBondContact O-N 2.86Å; V241-Q245 VanDerWaalsContact O-CB 3.27Å; V241-Q245 WeakPolarHBondContact O-CB 3.49Å; V241-Q245 PolarHBondContact O-N 3.2Å; V241-F262 HydrophobicContact CB-CD1 4.29Å; V241-F262 HydrophobicContact CG1-CD1 4.16Å; V241-F262 HydrophobicContact CG2-CD1 4.26Å; V241-F262 HydrophobicContact CG2-CE1 4.19Å; V241-D264 HydrophobicContact CG2-CB 3.75Å; V241-M312 HydrophobicContact CG1-CE 3.96Å |
| 242 | G | 93.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T238 Q239 A240 Q245 V246 G305 | T238-G242 PolarHBondContact O-N 3.03Å; Q239-G242 PolarHBondContact O-N 3.19Å; A240-G242 VanDerWaalsContact C-N 3.34Å; A240-G242 PolarHBondContact O-N 3.01Å; G242-Q245 WeakPolarHBondContact O-CB 3.06Å; G242-Q245 PolarHBondContact O-N 3.46Å; G242-V246 PolarHBondContact O-N 2.79Å; G242-G305 CarbonylContact C-O 3.57Å; G242-G305 WeakPolarHBondContact CA-O 3.4Å; G242-G305 WeakPolarHBondContact O-CA 3.3Å |
| 243 | M | 95.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 178.3 | -67.9 | 170.2 | 66.2 | 0 | 0 | 112.7 | M227 V234 Q239 A240 V241 Q245 V246 M298 L301 | M227-M243 HydrophobicContact CE-CB 4.1Å; M227-M243 HydrophobicContact CE-CE 4.09Å; M227-M243 HydrophobicContact CG-CE 4.37Å; M227-M243 HydrophobicContact SD-CB 3.75Å; M227-M243 HydrophobicContact SD-CE 3.61Å; M227-M243 HydrophobicContact SD-CG 4.41Å; M227-M243 HydrophobicContact SD-SD 3.84Å; V234-M243 HydrophobicContact CG1-SD 4.46Å; V234-M243 HydrophobicContact CG2-CE 3.71Å; V234-M243 HydrophobicContact CG2-SD 3.46Å; V234-M243 WeakPolarHBondContact CG2-SD 3.39Å; Q239-M243 HydrophobicContact CG-SD 4.19Å; Q239-M243 WeakPolarHBondContact O-CG 3.32Å; Q239-M243 PolarHBondContact O-N 3.2Å; A240-M243 PolarHBondContact O-N 2.97Å; V241-M243 VanDerWaalsContact C-N 3.34Å; V241-M243 PolarHBondContact O-N 2.79Å; M243-Q245 VanDerWaalsContact C-N 3.35Å; M243-V246 WeakPolarHBondContact O-CB 3.33Å; M243-V246 PolarHBondContact O-N 3.06Å; M243-M298 HydrophobicContact CE-SD 4.14Å; M243-L301 HydrophobicContact CB-CB 4.21Å; M243-L301 HydrophobicContact CE-CB 3.88Å; M243-L301 HydrophobicContact CG-CB 4.31Å |
| 244 | W | 96.3 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.7 | -32.1 | 175.2 | -73.6 | 120.1 | 0 | 0 | 0 | 112.6 | L192 I196 L223 W226 M227 A240 V241 V246 L247 L248 L253 F262 F271 | L192-W244 HydrophobicContact CB-CH2 4.43Å; L192-W244 HydrophobicContact CD1-CH2 3.95Å; L192-W244 HydrophobicContact CD1-CZ3 3.79Å; I196-W244 HydrophobicContact CD1-CH2 4.29Å; L223-W244 HydrophobicContact CB-CD2 4.42Å; L223-W244 HydrophobicContact CB-CZ2 3.94Å; L223-W244 HydrophobicContact CD2-CH2 3.97Å; L223-W244 HydrophobicContact CD2-CZ2 3.95Å; L223-W244 HydrophobicContact CG-CZ2 4.46Å; L223-W244 PolarHBondContact O-NE1 2.78Å; L223-W244 VanDerWaalsContact O-NE1 3.09Å; W226-W244 HydrophobicContact CE3-CZ2 4.31Å; M227-W244 HydrophobicContact CB-CZ2 4.22Å; M227-W244 HydrophobicContact CE-CD2 3.76Å; M227-W244 HydrophobicContact CE-CE3 4.29Å; M227-W244 HydrophobicContact CE-CG 4.24Å; M227-W244 HydrophobicContact CE-CH2 4.11Å; M227-W244 HydrophobicContact CE-CZ2 3.56Å; M227-W244 HydrophobicContact CE-CZ3 4.45Å; A240-W244 PolarHBondContact O-N 3.32Å; V241-W244 PolarHBondContact O-N 2.86Å; W244-V246 PolarHBondContact O-N 2.86Å; W244-L247 HydrophobicContact CE3-CD2 4.17Å; W244-L247 HydrophobicContact CZ3-CD2 3.98Å; W244-L247 PolarHBondContact O-N 3.02Å; W244-L247 VanDerWaalsContact O-N 3.1Å; W244-L248 PolarHBondContact O-N 3.27Å; W244-L253 HydrophobicContact CE3-CD2 3.83Å; W244-L253 HydrophobicContact CZ3-CD2 4.37Å; W244-F262 HydrophobicContact CB-CD1 3.7Å; W244-F262 HydrophobicContact CB-CD2 3.67Å; W244-F262 HydrophobicContact CB-CE1 3.63Å; W244-F262 HydrophobicContact CB-CE2 3.59Å; W244-F262 HydrophobicContact CB-CG 3.72Å; W244-F262 HydrophobicContact CB-CZ 3.57Å; W244-F262 AromaticContact CD1-CE1 3.84Å; W244-F262 AromaticContact CD1-CZ 3.6Å; W244-F262 HydrophobicContact CG-CD2 4.47Å; W244-F262 AromaticContact CG-CE1 4Å; W244-F262 HydrophobicContact CG-CE1 4Å; W244-F262 AromaticContact CG-CE2 3.91Å; W244-F262 HydrophobicContact CG-CE2 3.91Å; W244-F262 AromaticContact CG-CZ 3.64Å; W244-F262 HydrophobicContact CG-CZ 3.64Å; W244-F271 HydrophobicContact CH2-CZ 4.3Å; W244-F271 HydrophobicContact CZ3-CE1 4.37Å; W244-F271 HydrophobicContact CZ3-CZ 4.03Å |
| 245 | Q | 95.2 | Very high | 92.3 | Very high | 5 Ų | 5 | 23.1 Ų | 23.1 | 2% | 0.023 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.9 | -30.3 | 175.2 | -179.5 | 55.1 | 39.2 | 0 | 0 | 112.3 | V241 G242 M243 L247 L248 E249 F262 A308 M312 | V241-Q245 VanDerWaalsContact O-CB 3.27Å; V241-Q245 WeakPolarHBondContact O-CB 3.49Å; V241-Q245 PolarHBondContact O-N 3.2Å; G242-Q245 WeakPolarHBondContact O-CB 3.06Å; G242-Q245 PolarHBondContact O-N 3.46Å; M243-Q245 VanDerWaalsContact C-N 3.35Å; Q245-L247 PolarHBondContact O-N 2.78Å; Q245-L248 PolarHBondContact O-N 3.44Å; Q245-E249 WeakPolarHBondContact O-CG 3.36Å; Q245-E249 PolarHBondContact O-N 2.82Å; Q245-F262 HydrophobicContact CB-CB 4.26Å; Q245-A308 HydrophobicContact CG-CB 4.27Å; Q245-M312 HydrophobicContact CG-CB 4.18Å; Q245-M312 HydrophobicContact CG-SD 4.21Å |
| 246 | V | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -59.2 | -44.4 | 173.5 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | I185 G242 M243 W244 L248 E249 D250 L301 M304 A308 | I185-V246 HydrophobicContact CD1-CG1 4Å; I185-V246 HydrophobicContact CG1-CG1 4.36Å; I185-V246 HydrophobicContact CG2-CG1 4.35Å; G242-V246 PolarHBondContact O-N 2.79Å; M243-V246 WeakPolarHBondContact O-CB 3.33Å; M243-V246 PolarHBondContact O-N 3.06Å; W244-V246 PolarHBondContact O-N 2.86Å; V246-L248 VanDerWaalsContact C-N 3.31Å; V246-E249 WeakPolarHBondContact O-CG 3.41Å; V246-D250 PolarHBondContact O-N 3.28Å; V246-L301 HydrophobicContact CB-CD2 4.14Å; V246-L301 HydrophobicContact CG1-CD2 3.9Å; V246-M304 HydrophobicContact CG1-CB 4.27Å; V246-M304 HydrophobicContact CG1-CE 4.01Å; V246-M304 HydrophobicContact CG1-SD 4.31Å; V246-M304 HydrophobicContact CG2-CB 3.82Å; V246-A308 HydrophobicContact CG2-CB 3.68Å |
| 247 | L | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -71.2 | -31.8 | 179.7 | -77.7 | 73.7 | 0 | 0 | 0 | 111.5 | I185 L192 W244 Q245 G251 V252 L253 F271 L301 | I185-L247 HydrophobicContact CG2-CG 4.39Å; L192-L247 HydrophobicContact CD1-CD1 4.46Å; L192-L247 HydrophobicContact CD1-CD2 3.91Å; W244-L247 HydrophobicContact CE3-CD2 4.17Å; W244-L247 HydrophobicContact CZ3-CD2 3.98Å; W244-L247 PolarHBondContact O-N 3.02Å; W244-L247 VanDerWaalsContact O-N 3.1Å; Q245-L247 PolarHBondContact O-N 2.78Å; L247-G251 PolarHBondContact O-N 3.32Å; L247-V252 HydrophobicContact CB-CB 4.44Å; L247-V252 PolarHBondContact O-N 3.34Å; L247-L253 HydrophobicContact CB-CB 3.77Å; L247-L253 PolarHBondContact O-N 2.83Å; L247-L253 VanDerWaalsContact O-N 3.09Å; L247-F271 HydrophobicContact CD2-CE1 4.24Å; L247-L301 HydrophobicContact CD1-CD1 3.77Å; L247-L301 HydrophobicContact CD1-CD2 3.47Å; L247-L301 VanDerWaalsContact CD1-CD2 3.47Å; L247-L301 HydrophobicContact CD1-CG 4.28Å |
| 248 | L | 92.8 | Very high | 91.3 | Very high | 25 Ų | 25 | 28.8 Ų | 28.8 | 13% | 0.131 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -75.4 | -42.3 | -179 | -173.4 | 149.7 | 0 | 0 | 0 | 113 | W244 Q245 V246 D250 G251 L253 H255 F262 Y269 | W244-L248 PolarHBondContact O-N 3.27Å; Q245-L248 PolarHBondContact O-N 3.44Å; V246-L248 VanDerWaalsContact C-N 3.31Å; L248-D250 PolarHBondContact O-N 2.87Å; L248-G251 PolarHBondContact O-N 3.2Å; L248-L253 WeakPolarHBondContact CA-O 3.34Å; L248-L253 WeakPolarHBondContact CB-O 3.29Å; L248-L253 WeakPolarHBondContact CG-O 3.42Å; L248-H255 HydrophobicContact CD1-CB 4.5Å; L248-F262 HydrophobicContact CD1-CB 4.09Å; L248-Y269 HydrophobicContact CD1-CD1 3.79Å; L248-Y269 HydrophobicContact CD1-CE1 3.55Å |
| 249 | E | 87.8 | Confident | 90.1 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 35% | 0.346 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -66.7 | -25.8 | 177.8 | 70 | -178.2 | 174.1 | 0 | 0 | 113.1 | Q245 V246 A308 R311 | Q245-E249 WeakPolarHBondContact O-CG 3.36Å; Q245-E249 PolarHBondContact O-N 2.82Å; V246-E249 WeakPolarHBondContact O-CG 3.41Å; E249-A308 WeakPolarHBondContact OE1-CB 3.5Å; E249-R311 VanDerWaalsContact CD-NH2 3.28Å; E249-R311 IonicContact OE1-CZ 3.83Å; E249-R311 IonicContact OE1-NH2 3.07Å; E249-R311 PolarHBondContact OE1-NH2 3.48Å; E249-R311 IonicContact OE2-CZ 3.26Å; E249-R311 IonicContact OE2-NE 3.16Å; E249-R311 PolarHBondContact OE2-NE 3.24Å; E249-R311 VanDerWaalsContact OE2-NE 3.12Å; E249-R311 IonicContact OE2-NH2 3.91Å; E249-R311 PolarHBondContact OE2-NH2 2.88Å; E249-R311 VanDerWaalsContact OE2-NH2 3.07Å |
| 250 | D | 86.6 | Confident | 89.2 | Confident | 40 Ų | 40 | 35.3 Ų | 35.3 | 21% | 0.214 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 2 | 178.8 | -152.6 | 54.1 | 0 | 0 | 0 | 113.1 | P181 S182 I185 V246 L248 V252 | P181-D250 WeakPolarHBondContact CA-OD2 3.49Å; P181-D250 WeakPolarHBondContact CB-O 3.45Å; P181-D250 WeakPolarHBondContact CB-OD2 3.46Å; P181-D250 WeakPolarHBondContact CG-O 3.44Å; S182-D250 WeakPolarHBondContact CB-OD2 3.4Å; S182-D250 PolarHBondContact N-OD2 3.34Å; I185-D250 HydrophobicContact CB-CB 4.42Å; I185-D250 VanDerWaalsContact CB-OD2 3.29Å; I185-D250 WeakPolarHBondContact CB-OD2 3.38Å; I185-D250 HydrophobicContact CD1-CB 3.9Å; I185-D250 WeakPolarHBondContact CD1-OD2 3.36Å; I185-D250 HydrophobicContact CG2-CB 3.91Å; V246-D250 PolarHBondContact O-N 3.28Å; L248-D250 PolarHBondContact O-N 2.87Å; D250-V252 VanDerWaalsContact C-N 3.34Å; D250-V252 PolarHBondContact O-N 2.98Å |
| 251 | G | 88.4 | Confident | 88.8 | Confident | 23 Ų | 23 | 38.6 Ų | 38.6 | 24% | 0.237 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 10.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L247 L248 N254 | L247-G251 PolarHBondContact O-N 3.32Å; L248-G251 PolarHBondContact O-N 3.2Å; G251-N254 WeakPolarHBondContact CA-OD1 3.3Å; G251-N254 PolarHBondContact O-ND2 3.44Å; G251-N254 PolarHBondContact O-OD1 2.77Å |
| 252 | V | 92.4 | Very high | 88.7 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -81.9 | -28.5 | 178.9 | -177.4 | 0 | 0 | 0 | 0 | 111.8 | P181 I185 L186 L247 D250 L272 | P181-V252 HydrophobicContact CB-CG2 3.62Å; P181-V252 HydrophobicContact CG-CG2 4.14Å; I185-V252 HydrophobicContact CG2-CG2 3.97Å; L186-V252 HydrophobicContact CB-CG2 4.48Å; L186-V252 HydrophobicContact CD1-CG2 4.33Å; L247-V252 HydrophobicContact CB-CB 4.44Å; L247-V252 PolarHBondContact O-N 3.34Å; D250-V252 VanDerWaalsContact C-N 3.34Å; D250-V252 PolarHBondContact O-N 2.98Å; V252-L272 PolarHBondContact O-N 3.23Å |
| 253 | L | 93.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 111.8 | 172.4 | 178.1 | 71.5 | 0 | 0 | 0 | 109.5 | L223 W244 L247 L248 F262 R270 F271 | L223-L253 HydrophobicContact CD1-CD2 4.14Å; W244-L253 HydrophobicContact CE3-CD2 3.83Å; W244-L253 HydrophobicContact CZ3-CD2 4.37Å; L247-L253 HydrophobicContact CB-CB 3.77Å; L247-L253 PolarHBondContact O-N 2.83Å; L247-L253 VanDerWaalsContact O-N 3.09Å; L248-L253 WeakPolarHBondContact CA-O 3.34Å; L248-L253 WeakPolarHBondContact CB-O 3.29Å; L248-L253 WeakPolarHBondContact CG-O 3.42Å; L253-F262 HydrophobicContact CD2-CD2 4.3Å; L253-F262 HydrophobicContact CD2-CE2 4.25Å; L253-R270 CarbonylContact C-O 3.51Å; L253-F271 HydrophobicContact CD1-CD1 4.2Å; L253-F271 HydrophobicContact CD1-CD2 4.19Å; L253-F271 HydrophobicContact CD1-CE1 4.26Å; L253-F271 HydrophobicContact CD1-CE2 4.24Å; L253-F271 HydrophobicContact CD1-CG 4.16Å; L253-F271 HydrophobicContact CD1-CZ 4.28Å |
| 254 | N | 92.3 | Very high | 88.5 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 20% | 0.203 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 138.4 | -173 | -62.3 | -60.4 | 0 | 0 | 0 | 111.4 | G251 Y269 R270 | G251-N254 WeakPolarHBondContact CA-OD1 3.3Å; G251-N254 PolarHBondContact O-ND2 3.44Å; G251-N254 PolarHBondContact O-OD1 2.77Å; N254-Y269 CarbonylContact O-C 3.48Å; N254-Y269 WeakPolarHBondContact O-CA 3.36Å; N254-R270 PolarHBondContact N-O 2.9Å; N254-R270 PolarHBondContact O-N 2.87Å |
| 255 | H | 92.6 | Very high | 88.4 | Confident | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.032 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 136.2 | 163.8 | -175 | -90.3 | 0 | 0 | 0 | 108.6 | L248 D257 Q258 H260 F268 Y269 | L248-H255 HydrophobicContact CD1-CB 4.5Å; H255-D257 IonicContact CE1-OD2 3.87Å; H255-D257 PolarHBondContact CE1-OD2 2.87Å; H255-D257 PolarHBondContact ND1-N 3.03Å; H255-D257 VanDerWaalsContact ND1-N 3.13Å; H255-D257 PolarHBondContact O-N 3.23Å; H255-D257 VanDerWaalsContact O-N 3.08Å; H255-Q258 PolarHBondContact O-N 2.91Å; H255-H260 HydrophobicContact CB-CB 4.44Å; H255-H260 AromaticContact CE1-CD2 3.42Å; H255-H260 PolarHBondContact CE1-CD2 3.42Å; H255-H260 VanDerWaalsContact CE1-CD2 3.42Å; H255-H260 AromaticContact ND1-CD2 3.75Å; H255-H260 AromaticContact NE2-CD2 3.75Å; H255-F268 PolarHBondContact CD2-O 3.34Å; H255-F268 VanDerWaalsContact CD2-O 3.24Å; H255-Y269 HydrophobicContact CB-CD1 3.96Å; H255-Y269 HydrophobicContact CB-CE1 3.9Å; H255-Y269 AromaticContact CD2-CE1 3.68Å; H255-Y269 AromaticContact CD2-CZ 3.86Å |
| 256 | V | 89.4 | Confident | 88.3 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 18% | 0.176 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -25.3 | -172.6 | -66.2 | 0 | 0 | 0 | 0 | 114.4 | Y214 C217 F268 | Y214-V256 HydrophobicContact CD1-CB 3.71Å; Y214-V256 HydrophobicContact CD1-CG1 4.03Å; Y214-V256 HydrophobicContact CD1-CG2 3.53Å; Y214-V256 HydrophobicContact CE1-CB 3.98Å; Y214-V256 HydrophobicContact CE1-CG2 3.47Å; Y214-V256 VanDerWaalsContact CE1-CG2 3.47Å; C217-V256 HydrophobicContact CB-CG1 4.33Å; V256-F268 HydrophobicContact CB-CB 4.49Å; V256-F268 HydrophobicContact CG1-CB 3.85Å; V256-F268 HydrophobicContact CG2-CB 3.8Å; V256-F268 PolarHBondContact N-O 2.8Å; V256-F268 VanDerWaalsContact N-O 3.1Å |
| 257 | D | 83.4 | Confident | 88.3 | Confident | 77 Ų | 77 | 56.6 Ų | 56.6 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 3.1 | 176.8 | -54.4 | -47.2 | 0 | 0 | 0 | 113 | H255 E259 | H255-D257 IonicContact CE1-OD2 3.87Å; H255-D257 PolarHBondContact CE1-OD2 2.87Å; H255-D257 PolarHBondContact ND1-N 3.03Å; H255-D257 VanDerWaalsContact ND1-N 3.13Å; H255-D257 PolarHBondContact O-N 3.23Å; H255-D257 VanDerWaalsContact O-N 3.08Å; D257-E259 WeakPolarHBondContact O-CG 3.19Å; D257-E259 PolarHBondContact O-N 3.17Å |
| 258 | Q | 77.3 | Confident | 88.4 | Confident | 174 Ų | 174 | 57.1 Ų | 57.1 | 81% | 0.813 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 55.9 | -0.3 | -177.8 | -59 | -171 | -1.6 | 0 | 0 | 117.6 | H255 | H255-Q258 PolarHBondContact O-N 2.91Š|
| 259 | E | 65.9 | Low | 88.5 | Confident | 163 Ų | 163 | 55.9 Ų | 55.9 | 76% | 0.762 | 27% | 0.27 | S | S | * | . | trans | -88.3 | -9.9 | -174.2 | -74.4 | 176.9 | -177.7 | 0 | 0 | 114.9 | D257 | D257-E259 WeakPolarHBondContact O-CG 3.19Å; D257-E259 PolarHBondContact O-N 3.17Å | ||
| 260 | H | 71 | Confident | 88.9 | Confident | 67 Ų | 67 | 54.2 Ų | 54.2 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | trans | -119.6 | 135.1 | -169 | -66.4 | -74.9 | 0 | 0 | 0 | 113.1 | H255 L267 | H255-H260 HydrophobicContact CB-CB 4.44Å; H255-H260 AromaticContact CE1-CD2 3.42Å; H255-H260 PolarHBondContact CE1-CD2 3.42Å; H255-H260 VanDerWaalsContact CE1-CD2 3.42Å; H255-H260 AromaticContact ND1-CD2 3.75Å; H255-H260 AromaticContact NE2-CD2 3.75Å; H260-L267 HydrophobicContact CB-CD1 4.47Å | ||
| 261 | H | 85.6 | Confident | 89.3 | Confident | 69 Ų | 69 | 52.4 Ų | 52.4 | 32% | 0.319 | 25% | 0.251 | S | S | . | . | trans | -62.5 | 162.6 | 155.1 | -54.5 | -54.8 | 0 | 0 | 0 | 110.4 | Q263 M312 R315 | H261-Q263 PolarHBondContact O-N 2.88Å; H261-M312 HydrophobicContact CB-CG 3.64Å; H261-M312 HydrophobicContact CB-SD 3.46Å; H261-M312 WeakPolarHBondContact CB-SD 3.26Å; H261-R315 VanDerWaalsContact CE1-CD 3.49Å; H261-R315 WeakPolarHBondContact CE1-CD 3.44Å | ||
| 262 | F | 93.7 | Very high | 89.4 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | trans | -62.9 | 128.1 | 179.3 | -171.2 | -89.9 | 0 | 0 | 0 | 110.5 | L223 V224 V241 W244 Q245 L248 L253 Y269 | L223-F262 HydrophobicContact CB-CZ 4.32Å; L223-F262 HydrophobicContact CD1-CE2 4.04Å; V224-F262 HydrophobicContact CG2-CE1 3.81Å; V224-F262 HydrophobicContact CG2-CZ 4.1Å; V241-F262 HydrophobicContact CB-CD1 4.29Å; V241-F262 HydrophobicContact CG1-CD1 4.16Å; V241-F262 HydrophobicContact CG2-CD1 4.26Å; V241-F262 HydrophobicContact CG2-CE1 4.19Å; W244-F262 HydrophobicContact CB-CD1 3.7Å; W244-F262 HydrophobicContact CB-CD2 3.67Å; W244-F262 HydrophobicContact CB-CE1 3.63Å; W244-F262 HydrophobicContact CB-CE2 3.59Å; W244-F262 HydrophobicContact CB-CG 3.72Å; W244-F262 HydrophobicContact CB-CZ 3.57Å; W244-F262 AromaticContact CD1-CE1 3.84Å; W244-F262 AromaticContact CD1-CZ 3.6Å; W244-F262 HydrophobicContact CG-CD2 4.47Å; W244-F262 AromaticContact CG-CE1 4Å; W244-F262 HydrophobicContact CG-CE1 4Å; W244-F262 AromaticContact CG-CE2 3.91Å; W244-F262 HydrophobicContact CG-CE2 3.91Å; W244-F262 AromaticContact CG-CZ 3.64Å; W244-F262 HydrophobicContact CG-CZ 3.64Å; Q245-F262 HydrophobicContact CB-CB 4.26Å; L248-F262 HydrophobicContact CD1-CB 4.09Å; L253-F262 HydrophobicContact CD2-CD2 4.3Å; L253-F262 HydrophobicContact CD2-CE2 4.25Å; F262-Y269 HydrophobicContact CD2-CD1 4.14Å; F262-Y269 AromaticContact CD2-CE1 3.79Å; F262-Y269 HydrophobicContact CD2-CE1 3.79Å; F262-Y269 HydrophobicContact CD2-CE2 4.21Å; F262-Y269 AromaticContact CD2-CZ 3.83Å; F262-Y269 HydrophobicContact CE2-CD2 4.22Å; F262-Y269 HydrophobicContact CE2-CE1 4.41Å; F262-Y269 HydrophobicContact CE2-CE2 4.08Å; F262-Y269 HydrophobicContact CE2-CG 4.46Å | ||
| 263 | Q | 91.3 | Very high | 89.3 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 27% | 0.271 | 27% | 0.268 | S | S | . | . | trans | -131.9 | 138.5 | 178.1 | -62.9 | -177 | 10.7 | 0 | 0 | 110.5 | H261 K265 L267 Y269 | H261-Q263 PolarHBondContact O-N 2.88Å; Q263-K265 HydrophobicContact CB-CB 4.34Å; Q263-K265 HydrophobicContact CB-CD 4.39Å; Q263-K265 HydrophobicContact CB-CG 4.21Å; Q263-K265 PolarHBondContact O-N 2.89Å; Q263-K265 VanDerWaalsContact OE1-CD 3.32Å; Q263-L267 HydrophobicContact CB-CD1 4.14Å; Q263-Y269 PolarHBondContact N-OH 3.1Å; Q263-Y269 PolarHBondContact O-OH 2.88Å | ||
| 264 | D | 94.5 | Very high | 89.2 | Confident | 47 Ų | 47 | 57.3 Ų | 57.3 | 25% | 0.251 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -73 | 66.5 | 168.6 | -174.2 | 20.2 | 0 | 0 | 0 | 110.6 | T221 V224 R237 V241 | T221-D264 WeakPolarHBondContact CA-OD1 3.3Å; T221-D264 WeakPolarHBondContact CG2-OD1 3.4Å; V224-D264 HydrophobicContact CG2-CB 4.2Å; R237-D264 IonicContact CZ-OD1 3.5Å; R237-D264 IonicContact CZ-OD2 3.24Å; R237-D264 VanDerWaalsContact CZ-OD2 3.32Å; R237-D264 IonicContact NE-OD1 2.83Å; R237-D264 IonicContact NE-OD2 3.49Å; R237-D264 PolarHBondContact NE-OD2 2.88Å; R237-D264 IonicContact NH2-OD1 3.61Å; R237-D264 PolarHBondContact NH2-OD1 3.24Å; R237-D264 IonicContact NH2-OD2 3.8Å; R237-D264 PolarHBondContact NH2-OD2 3.36Å; V241-D264 HydrophobicContact CG2-CB 3.75Å |
| 265 | K | 93.8 | Very high | 88.8 | Confident | 118 Ų | 118 | 59.9 Ų | 59.9 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -140.2 | 172.7 | -178.9 | -69.3 | -172.5 | -170.4 | 160.3 | 0 | 110.4 | T221 Q263 L267 | T221-K265 PolarHBondContact N-O 3.21Å; Q263-K265 HydrophobicContact CB-CB 4.34Å; Q263-K265 HydrophobicContact CB-CD 4.39Å; Q263-K265 HydrophobicContact CB-CG 4.21Å; Q263-K265 PolarHBondContact O-N 2.89Å; Q263-K265 VanDerWaalsContact OE1-CD 3.32Å; K265-L267 HydrophobicContact CB-CD1 4.42Å; K265-L267 HydrophobicContact CB-CG 4.14Å; K265-L267 PolarHBondContact O-N 3.11Å |
| 266 | Y | 93.9 | Very high | 88.4 | Confident | 136 Ų | 136 | 66.2 Ų | 66.2 | 53% | 0.533 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -74.2 | 64 | 171.5 | -161.8 | -98.2 | 0 | 0 | 0 | 111.3 | V219 F268 | V219-Y266 HydrophobicContact CG1-CD2 3.7Å; V219-Y266 HydrophobicContact CG1-CE2 4.16Å; V219-Y266 HydrophobicContact CG1-CG 4.33Å; V219-Y266 HydrophobicContact CG2-CD2 4.33Å; V219-Y266 HydrophobicContact CG2-CE2 4Å; Y266-F268 HydrophobicContact CD1-CE1 4.31Å; Y266-F268 AromaticContact CE1-CE1 3.77Å; Y266-F268 HydrophobicContact CE1-CE1 3.77Å; Y266-F268 AromaticContact CE1-CZ 3.86Å; Y266-F268 HydrophobicContact CE1-CZ 3.86Å |
| 267 | L | 94.3 | Very high | 87.6 | Confident | 39 Ų | 39 | 71.7 Ų | 71.7 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | trans | -118.7 | 150 | 176.6 | -67.5 | -179.5 | 0 | 0 | 0 | 109.4 | V219 G220 H260 Q263 K265 Y269 | V219-L267 WeakPolarHBondContact CA-O 3.18Å; G220-L267 PolarHBondContact N-O 3.29Å; H260-L267 HydrophobicContact CB-CD1 4.47Å; Q263-L267 HydrophobicContact CB-CD1 4.14Å; K265-L267 HydrophobicContact CB-CD1 4.42Å; K265-L267 HydrophobicContact CB-CG 4.14Å; K265-L267 PolarHBondContact O-N 3.11Å; L267-Y269 HydrophobicContact CB-CE2 3.84Å; L267-Y269 WeakPolarHBondContact O-CD2 3.25Å; L267-Y269 WeakPolarHBondContact O-CE2 3.38Å | ||
| 268 | F | 95.6 | Very high | 87.4 | Confident | 10 Ų | 10 | 75.3 Ų | 75.3 | 4% | 0.044 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 135.4 | -174.1 | -52.1 | -39 | 0 | 0 | 0 | 112.3 | R207 Y209 Y214 C217 C218 V219 H255 V256 Y266 | R207-F268 HydrophobicContact CB-CE1 4.28Å; R207-F268 HydrophobicContact CB-CE2 4.5Å; R207-F268 HydrophobicContact CB-CZ 4.18Å; Y209-F268 HydrophobicContact CG-CE2 4.15Å; Y209-F268 HydrophobicContact CG-CZ 4.37Å; Y214-F268 HydrophobicContact CD1-CD2 4.27Å; Y214-F268 AromaticContact CD2-CD2 3.72Å; Y214-F268 HydrophobicContact CD2-CD2 3.72Å; Y214-F268 AromaticContact CD2-CE2 3.75Å; Y214-F268 HydrophobicContact CD2-CE2 3.75Å; Y214-F268 HydrophobicContact CE2-CD2 4.18Å; Y214-F268 HydrophobicContact CE2-CE2 4.13Å; Y214-F268 AromaticContact CG-CD2 3.76Å; Y214-F268 HydrophobicContact CG-CD2 3.76Å; Y214-F268 HydrophobicContact CG-CE2 4.25Å; C217-F268 HydrophobicContact CB-CB 4.25Å; C218-F268 CarbonylContact O-C 3.55Å; C218-F268 VanDerWaalsContact O-CA 3.25Å; C218-F268 WeakPolarHBondContact O-CA 3.33Å; V219-F268 HydrophobicContact CG2-CD1 3.83Å; V219-F268 HydrophobicContact CG2-CE1 3.87Å; H255-F268 PolarHBondContact CD2-O 3.34Å; H255-F268 VanDerWaalsContact CD2-O 3.24Å; V256-F268 HydrophobicContact CB-CB 4.49Å; V256-F268 HydrophobicContact CG1-CB 3.85Å; V256-F268 HydrophobicContact CG2-CB 3.8Å; V256-F268 PolarHBondContact N-O 2.8Å; V256-F268 VanDerWaalsContact N-O 3.1Å; Y266-F268 HydrophobicContact CD1-CE1 4.31Å; Y266-F268 AromaticContact CE1-CE1 3.77Å; Y266-F268 HydrophobicContact CE1-CE1 3.77Å; Y266-F268 AromaticContact CE1-CZ 3.86Å; Y266-F268 HydrophobicContact CE1-CZ 3.86Å |
| 269 | Y | 95.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.4 | 178.7 | -56.2 | -93.4 | 0 | 0 | 0 | 110.4 | C217 C218 L248 N254 H255 F262 Q263 L267 | C217-Y269 CarbonylContact C-O 3.54Å; C217-Y269 WeakPolarHBondContact CA-O 3.43Å; C217-Y269 WeakPolarHBondContact CB-O 3.45Å; C218-Y269 PolarHBondContact N-O 3.1Å; C218-Y269 PolarHBondContact O-N 2.65Å; L248-Y269 HydrophobicContact CD1-CD1 3.79Å; L248-Y269 HydrophobicContact CD1-CE1 3.55Å; N254-Y269 CarbonylContact O-C 3.48Å; N254-Y269 WeakPolarHBondContact O-CA 3.36Å; H255-Y269 HydrophobicContact CB-CD1 3.96Å; H255-Y269 HydrophobicContact CB-CE1 3.9Å; H255-Y269 AromaticContact CD2-CE1 3.68Å; H255-Y269 AromaticContact CD2-CZ 3.86Å; F262-Y269 HydrophobicContact CD2-CD1 4.14Å; F262-Y269 AromaticContact CD2-CE1 3.79Å; F262-Y269 HydrophobicContact CD2-CE1 3.79Å; F262-Y269 HydrophobicContact CD2-CE2 4.21Å; F262-Y269 AromaticContact CD2-CZ 3.83Å; F262-Y269 HydrophobicContact CE2-CD2 4.22Å; F262-Y269 HydrophobicContact CE2-CE1 4.41Å; F262-Y269 HydrophobicContact CE2-CE2 4.08Å; F262-Y269 HydrophobicContact CE2-CG 4.46Å; Q263-Y269 PolarHBondContact N-OH 3.1Å; Q263-Y269 PolarHBondContact O-OH 2.88Å; L267-Y269 HydrophobicContact CB-CE2 3.84Å; L267-Y269 WeakPolarHBondContact O-CD2 3.25Å; L267-Y269 WeakPolarHBondContact O-CE2 3.38Å |
| 270 | R | 95.1 | Very high | 88.6 | Confident | 39 Ų | 39 | 65.6 Ų | 65.6 | 15% | 0.147 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 134 | -179 | -167.6 | -177.9 | -58.9 | 126.2 | -2.1 | 110.6 | R215 L253 N254 D274 E275 | R215-R270 PolarHBondContact O-NE 3.3Å; R215-R270 VanDerWaalsContact O-NE 3.15Å; L253-R270 CarbonylContact C-O 3.51Å; N254-R270 PolarHBondContact N-O 2.9Å; N254-R270 PolarHBondContact O-N 2.87Å; R270-D274 WeakPolarHBondContact CD-O 3.32Å; R270-D274 HydrophobicContact CG-CB 3.88Å; R270-E275 WeakPolarHBondContact CD-OE1 3.42Å; R270-E275 IonicContact CZ-OE1 3.53Å; R270-E275 IonicContact NH1-OE1 2.84Å; R270-E275 PolarHBondContact NH1-OE1 3.48Å; R270-E275 IonicContact NH1-OE2 3.5Å; R270-E275 PolarHBondContact NH1-OE2 2.92Å |
| 271 | F | 94.9 | Very high | 89.4 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.009 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 148.8 | 171.9 | -75.1 | -84.9 | 0 | 0 | 0 | 110.2 | R193 I196 I204 W244 L247 L253 D273 D274 E275 | R193-F271 HydrophobicContact CB-CD1 4.05Å; R193-F271 HydrophobicContact CB-CD2 4.25Å; R193-F271 HydrophobicContact CB-CE1 4.22Å; R193-F271 HydrophobicContact CB-CE2 4.42Å; R193-F271 HydrophobicContact CB-CG 4.06Å; R193-F271 HydrophobicContact CB-CZ 4.41Å; R193-F271 HydrophobicContact CG-CB 4.47Å; R193-F271 HydrophobicContact CG-CD2 4.24Å; R193-F271 HydrophobicContact CG-CG 4.23Å; I196-F271 HydrophobicContact CD1-CE2 4Å; I196-F271 HydrophobicContact CD1-CZ 3.96Å; I204-F271 HydrophobicContact CD1-CD2 4.11Å; I204-F271 HydrophobicContact CD1-CE2 4.22Å; W244-F271 HydrophobicContact CH2-CZ 4.3Å; W244-F271 HydrophobicContact CZ3-CE1 4.37Å; W244-F271 HydrophobicContact CZ3-CZ 4.03Å; L247-F271 HydrophobicContact CD2-CE1 4.24Å; L253-F271 HydrophobicContact CD1-CD1 4.2Å; L253-F271 HydrophobicContact CD1-CD2 4.19Å; L253-F271 HydrophobicContact CD1-CE1 4.26Å; L253-F271 HydrophobicContact CD1-CE2 4.24Å; L253-F271 HydrophobicContact CD1-CG 4.16Å; L253-F271 HydrophobicContact CD1-CZ 4.28Å; F271-D273 VanDerWaalsContact C-N 3.26Å; F271-D273 PolarHBondContact O-N 2.71Å; F271-D274 PolarHBondContact O-N 3Å; F271-E275 PolarHBondContact O-N 2.78Å |
| 272 | L | 91.4 | Very high | 89.6 | Confident | 62 Ų | 62 | 66.6 Ų | 66.6 | 33% | 0.325 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -54.4 | -41.1 | 179.7 | -175 | 62.5 | 0 | 0 | 0 | 112.8 | P181 L186 V252 D274 E275 | P181-L272 HydrophobicContact CG-CD2 4.33Å; L186-L272 HydrophobicContact CD1-CD2 3.81Å; V252-L272 PolarHBondContact O-N 3.23Å; L272-D274 PolarHBondContact O-N 3.18Å; L272-E275 WeakPolarHBondContact O-CB 3.41Å; L272-E275 PolarHBondContact O-N 2.95Å |
| 273 | D | 89.4 | Confident | 89.5 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -62.1 | -28 | 177.4 | -68.4 | -15 | 0 | 0 | 0 | 113.1 | F271 A279 | F271-D273 VanDerWaalsContact C-N 3.26Å; F271-D273 PolarHBondContact O-N 2.71Å; D273-A279 VanDerWaalsContact O-CB 3.23Å; D273-A279 WeakPolarHBondContact O-CB 3.37Å |
| 274 | D | 91.3 | Very high | 89.4 | Confident | 11 Ų | 11 | 73.9 Ų | 73.9 | 6% | 0.059 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -88.5 | -2.1 | -178.1 | -64.2 | -45.9 | 0 | 0 | 0 | 113.1 | R193 Q216 R270 F271 L272 H276 | R193-D274 IonicContact CZ-OD1 3.98Å; R193-D274 IonicContact NE-OD1 2.96Å; R193-D274 PolarHBondContact NE-OD1 3.03Å; R193-D274 IonicContact NE-OD2 2.69Å; R193-D274 PolarHBondContact NE-OD2 2.91Å; R193-D274 IonicContact NH2-OD1 2.64Å; R193-D274 PolarHBondContact NH2-OD1 2.66Å; Q216-D274 HydrophobicContact CB-CB 4.13Å; R270-D274 WeakPolarHBondContact CD-O 3.32Å; R270-D274 HydrophobicContact CG-CB 3.88Å; F271-D274 PolarHBondContact O-N 3Å; L272-D274 PolarHBondContact O-N 3.18Å; D274-H276 PolarHBondContact O-N 3.41Å |
| 275 | E | 85.6 | Confident | 89.2 | Confident | 92 Ų | 92 | 79.5 Ų | 79.5 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | G | 310 helix | trans | -66.7 | -27.2 | 169.5 | -75.4 | -68.8 | 154.3 | 0 | 0 | 111.7 | R270 F271 L272 | R270-E275 WeakPolarHBondContact CD-OE1 3.42Å; R270-E275 IonicContact CZ-OE1 3.53Å; R270-E275 IonicContact NH1-OE1 2.84Å; R270-E275 PolarHBondContact NH1-OE1 3.48Å; R270-E275 IonicContact NH1-OE2 3.5Å; R270-E275 PolarHBondContact NH1-OE2 2.92Å; F271-E275 PolarHBondContact O-N 2.78Å; L272-E275 WeakPolarHBondContact O-CB 3.41Å; L272-E275 PolarHBondContact O-N 2.95Å |
| 276 | H | 83.7 | Confident | 89 | Confident | 140 Ų | 140 | 76 Ų | 76 | 65% | 0.648 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -81.2 | 133.8 | 175.4 | -64.8 | -49.8 | 0 | 0 | 0 | 111.3 | D274 D278 A279 | D274-H276 PolarHBondContact O-N 3.41Å; H276-D278 PolarHBondContact O-N 3.1Å; H276-A279 PolarHBondContact O-N 3.46Å |
| 277 | E | 72.9 | Confident | 88.8 | Confident | 145 Ų | 145 | 72.6 Ų | 72.6 | 68% | 0.678 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.5 | -172.8 | -158.5 | 167.8 | -163.7 | 0 | 0 | 113.5 | R215 | R215-E277 IonicContact CZ-OE1 3.27Å; R215-E277 VanDerWaalsContact CZ-OE1 3.27Å; R215-E277 IonicContact NH1-OE1 2.69Å; R215-E277 PolarHBondContact NH1-OE1 3.26Å; R215-E277 IonicContact NH2-OE1 3.25Å; R215-E277 PolarHBondContact NH2-OE1 3Å |
| 278 | D | 79.1 | Confident | 88.5 | Confident | 153 Ų | 153 | 77.2 Ų | 77.2 | 82% | 0.818 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.1 | 42.5 | 179.2 | -65.1 | -39.4 | 0 | 0 | 0 | 112.5 | H276 P280 | H276-D278 PolarHBondContact O-N 3.1Å; D278-P280 WeakPolarHBondContact O-CD 3.24Å; D278-P280 VanDerWaalsContact O-N 3.15Å |
| 279 | A | 83.3 | Confident | 88.2 | Confident | 29 Ų | 29 | 80.2 Ų | 80.2 | 24% | 0.24 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -57 | 118.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | D273 H276 | D273-A279 VanDerWaalsContact O-CB 3.23Å; D273-A279 WeakPolarHBondContact O-CB 3.37Å; H276-A279 PolarHBondContact O-N 3.46Å |
| 280 | P | 85.3 | Confident | 87.9 | Confident | 104 Ų | 104 | 80.4 Ų | 80.4 | 68% | 0.675 | 40% | 0.404 | S | S | * | . | P | Polyproline II helix | trans | -67.8 | 148.5 | -175.5 | 26.7 | -33.5 | 0 | 0 | 0 | 111.5 | D278 | D278-P280 WeakPolarHBondContact O-CD 3.24Å; D278-P280 VanDerWaalsContact O-N 3.15Å |
| 281 | L | 86.6 | Confident | 87.4 | Confident | 143 Ų | 143 | 82.9 Ų | 82.9 | 75% | 0.749 | 42% | 0.42 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 148.4 | 169.2 | -68.6 | 175.4 | 0 | 0 | 0 | 110.2 | T283 | L281-T283 PolarHBondContact O-N 2.94Š|
| 282 | P | 90.3 | Very high | 87 | Confident | 14 Ų | 14 | 89 Ų | 89 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -61.3 | 132.7 | 179.9 | -19.5 | 30.6 | 0 | 0 | 0 | 111.6 | N194 L197 K287 | N194-P282 HydrophobicContact CB-CB 4.24Å; N194-P282 HydrophobicContact CB-CG 4.06Å; N194-P282 WeakPolarHBondContact OD1-CG 3.38Å; L197-P282 HydrophobicContact CB-CG 4.17Å; L197-P282 HydrophobicContact CD1-CG 3.97Å; P282-K287 HydrophobicContact CB-CG 4.03Å; P282-K287 WeakPolarHBondContact O-CE 3.26Å |
| 283 | T | 92.3 | Very high | 86.9 | Confident | 74 Ų | 74 | 89.1 Ų | 89.1 | 45% | 0.454 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 160.3 | 172 | 63 | 0 | 0 | 0 | 0 | 111.2 | L281 E285 E286 K287 | L281-T283 PolarHBondContact O-N 2.94Å; T283-E285 PolarHBondContact O-N 3.16Å; T283-E286 PolarHBondContact N-OE2 3.27Å; T283-E286 PolarHBondContact O-N 3.34Å; T283-E286 VanDerWaalsContact O-N 3.17Å; T283-E286 WeakPolarHBondContact OG1-CB 3.49Å; T283-E286 VanDerWaalsContact OG1-CG 3.23Å; T283-E286 WeakPolarHBondContact OG1-CG 3.46Å; T283-E286 PolarHBondContact OG1-N 3.26Å; T283-E286 PolarHBondContact OG1-OE2 2.86Å; T283-K287 WeakPolarHBondContact O-CG 3.31Å; T283-K287 PolarHBondContact O-N 3.46Å |
| 284 | E | 89.1 | Confident | 86.9 | Confident | 138 Ų | 138 | 86.9 Ų | 86.9 | 65% | 0.645 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -61.8 | -30.3 | 177.6 | -68.2 | -58.4 | 126.3 | 0 | 0 | 112.9 | K287 K288 | E284-K287 IonicContact OE1-NZ 2.62Å; E284-K287 PolarHBondContact OE1-NZ 2.85Å; E284-K288 PolarHBondContact O-N 2.83Å; E284-K288 VanDerWaalsContact O-N 3.11Å |
| 285 | E | 90.1 | Very high | 86.7 | Confident | 165 Ų | 165 | 87.4 Ų | 87.4 | 77% | 0.771 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -66.9 | -47.2 | 173.3 | -67.7 | -178.7 | 176.7 | 0 | 0 | 111.1 | T283 K287 K288 E289 | T283-E285 PolarHBondContact O-N 3.16Å; E285-K287 VanDerWaalsContact C-N 3.31Å; E285-K287 PolarHBondContact O-N 3.24Å; E285-K288 WeakPolarHBondContact O-CB 3.31Å; E285-K288 PolarHBondContact O-N 3.46Å; E285-E289 WeakPolarHBondContact O-CB 3.38Å; E285-E289 PolarHBondContact O-N 3.48Å |
| 286 | E | 90.3 | Very high | 86.8 | Confident | 45 Ų | 45 | 88 Ų | 88 | 21% | 0.21 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.7 | -32 | 176.9 | -71.5 | 171.9 | 130.8 | 0 | 0 | 112.7 | K190 T283 C290 | K190-E286 VanDerWaalsContact CE-OE1 3.27Å; K190-E286 WeakPolarHBondContact CE-OE1 3.36Å; K190-E286 IonicContact NZ-OE1 3.19Å; K190-E286 PolarHBondContact NZ-OE1 3.36Å; T283-E286 PolarHBondContact N-OE2 3.27Å; T283-E286 PolarHBondContact O-N 3.34Å; T283-E286 VanDerWaalsContact O-N 3.17Å; T283-E286 WeakPolarHBondContact OG1-CB 3.49Å; T283-E286 VanDerWaalsContact OG1-CG 3.23Å; T283-E286 WeakPolarHBondContact OG1-CG 3.46Å; T283-E286 PolarHBondContact OG1-N 3.26Å; T283-E286 PolarHBondContact OG1-OE2 2.86Å; E286-C290 WeakPolarHBondContact O-CB 3.21Å; E286-C290 PolarHBondContact O-N 2.79Å |
| 287 | K | 89.4 | Confident | 87.2 | Confident | 64 Ų | 64 | 81.9 Ų | 81.9 | 28% | 0.278 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.4 | -42.8 | 172.9 | -70.8 | 179.8 | -170 | 167 | 0 | 111.3 | P282 T283 E284 E285 C290 D291 | P282-K287 HydrophobicContact CB-CG 4.03Å; P282-K287 WeakPolarHBondContact O-CE 3.26Å; T283-K287 WeakPolarHBondContact O-CG 3.31Å; T283-K287 PolarHBondContact O-N 3.46Å; E284-K287 IonicContact OE1-NZ 2.62Å; E284-K287 PolarHBondContact OE1-NZ 2.85Å; E285-K287 VanDerWaalsContact C-N 3.31Å; E285-K287 PolarHBondContact O-N 3.24Å; K287-C290 WeakPolarHBondContact O-CB 3.32Å; K287-C290 PolarHBondContact O-N 3.03Å; K287-D291 PolarHBondContact O-N 2.89Å |
| 288 | K | 86.8 | Confident | 88.1 | Confident | 136 Ų | 136 | 75 Ų | 75 | 59% | 0.591 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -65.5 | -47.3 | 177.3 | -175.3 | -173.8 | 171.2 | -164.6 | 0 | 111.3 | E284 E285 C290 D291 E292 | E284-K288 PolarHBondContact O-N 2.83Å; E284-K288 VanDerWaalsContact O-N 3.11Å; E285-K288 WeakPolarHBondContact O-CB 3.31Å; E285-K288 PolarHBondContact O-N 3.46Å; K288-C290 VanDerWaalsContact C-N 3.32Å; K288-C290 PolarHBondContact O-N 2.88Å; K288-D291 PolarHBondContact O-N 3Å; K288-E292 VanDerWaalsContact CE-OE1 3.26Å; K288-E292 WeakPolarHBondContact CE-OE1 3.47Å; K288-E292 WeakPolarHBondContact O-CG 3.37Å; K288-E292 PolarHBondContact O-N 3.19Å; K288-E292 VanDerWaalsContact O-N 3.11Å |
| 289 | E | 88.9 | Confident | 88.5 | Confident | 73 Ų | 73 | 69.6 Ų | 69.6 | 34% | 0.341 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 176.4 | -171.6 | -178.7 | -155.6 | 0 | 0 | 111.1 | R187 E285 D291 E292 E293 | R187-E289 IonicContact CZ-OE1 3.48Å; R187-E289 IonicContact NH1-OE1 2.77Å; R187-E289 PolarHBondContact NH1-OE1 3.11Å; R187-E289 IonicContact NH1-OE2 2.72Å; R187-E289 IonicContact NH2-OE1 3.4Å; R187-E289 PolarHBondContact NH2-OE1 3.22Å; R187-E289 IonicContact NH2-OE2 3.54Å; E285-E289 WeakPolarHBondContact O-CB 3.38Å; E285-E289 PolarHBondContact O-N 3.48Å; E289-D291 PolarHBondContact O-N 2.96Å; E289-E292 PolarHBondContact O-N 3.18Å; E289-E293 PolarHBondContact O-N 3.15Å |
| 290 | C | 89.5 | Confident | 88.9 | Confident | 3 Ų | 3 | 70.7 Ų | 70.7 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -59 | -45.8 | 173.8 | 169.9 | 0 | 0 | 0 | 0 | 112.5 | I191 N194 A195 E286 K287 K288 E292 E293 L294 | I191-C290 PolarHBondContact O-SG 2.88Å; N194-C290 HydrophobicContact CB-CB 4.23Å; A195-C290 VanDerWaalsContact CB-SG 3.54Å; A195-C290 PolarHBondContact N-SG 3.21Å; A195-C290 VanDerWaalsContact N-SG 3.38Å; E286-C290 WeakPolarHBondContact O-CB 3.21Å; E286-C290 PolarHBondContact O-N 2.79Å; K287-C290 WeakPolarHBondContact O-CB 3.32Å; K287-C290 PolarHBondContact O-N 3.03Å; K288-C290 VanDerWaalsContact C-N 3.32Å; K288-C290 PolarHBondContact O-N 2.88Å; C290-E292 PolarHBondContact O-N 3.13Å; C290-E293 PolarHBondContact O-N 2.82Å; C290-L294 VanDerWaalsContact O-CB 3.25Å; C290-L294 WeakPolarHBondContact O-CB 3.44Å; C290-L294 PolarHBondContact O-N 3.18Å |
| 291 | D | 85.5 | Confident | 89.3 | Confident | 92 Ų | 92 | 65.8 Ų | 65.8 | 49% | 0.492 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.9 | -29.5 | 178.7 | -88.9 | -14.9 | 0 | 0 | 0 | 112.7 | R199 K287 K288 E289 | R199-D291 IonicContact CZ-OD1 2.69Å; R199-D291 IonicContact NE-OD1 2.72Å; R199-D291 IonicContact NH2-OD1 2.88Å; R199-D291 PolarHBondContact NH2-OD1 3.1Å; K287-D291 PolarHBondContact O-N 2.89Å; K288-D291 PolarHBondContact O-N 3Å; E289-D291 PolarHBondContact O-N 2.96Å |
| 292 | E | 86.2 | Confident | 89.5 | Confident | 131 Ų | 131 | 59.8 Ų | 59.8 | 61% | 0.612 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -76.4 | -42.5 | 175.7 | -70 | 175.9 | -175.1 | 0 | 0 | 112 | K288 E289 C290 | K288-E292 VanDerWaalsContact CE-OE1 3.26Å; K288-E292 WeakPolarHBondContact CE-OE1 3.47Å; K288-E292 WeakPolarHBondContact O-CG 3.37Å; K288-E292 PolarHBondContact O-N 3.19Å; K288-E292 VanDerWaalsContact O-N 3.11Å; E289-E292 PolarHBondContact O-N 3.18Å; C290-E292 PolarHBondContact O-N 3.13Å |
| 293 | E | 90 | Very high | 89.4 | Confident | 64 Ų | 64 | 62.1 Ų | 62.1 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -91.4 | -11 | -174.3 | -66.2 | -176.8 | -170.8 | 0 | 0 | 115.1 | R187 I191 E289 C290 Q295 D296 T297 | R187-E293 IonicContact CZ-OE1 3.81Å; R187-E293 IonicContact CZ-OE2 2.67Å; R187-E293 IonicContact NE-OE2 3.2Å; R187-E293 PolarHBondContact NE-OE2 2.73Å; R187-E293 IonicContact NH2-OE1 3.67Å; R187-E293 PolarHBondContact NH2-OE1 3.47Å; R187-E293 IonicContact NH2-OE2 3.32Å; R187-E293 PolarHBondContact NH2-OE2 2.88Å; I191-E293 HydrophobicContact CD1-CB 3.81Å; I191-E293 WeakPolarHBondContact CD1-OE2 3.5Å; I191-E293 HydrophobicContact CG1-CB 4.45Å; E289-E293 PolarHBondContact O-N 3.15Å; C290-E293 PolarHBondContact O-N 2.82Å; E293-Q295 VanDerWaalsContact C-N 3.31Å; E293-Q295 PolarHBondContact O-N 3.32Å; E293-D296 PolarHBondContact O-N 2.94Å; E293-T297 WeakPolarHBondContact O-CB 3.41Å; E293-T297 PolarHBondContact O-N 3.13Å; E293-T297 PolarHBondContact O-OG1 2.9Å |
| 294 | L | 89.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 61.7 Ų | 61.7 | 4% | 0.042 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57.2 | -41.4 | -174.3 | -179 | 64.6 | 0 | 0 | 0 | 112.9 | I191 L192 A195 W226 C290 T297 M298 | I191-L294 HydrophobicContact CG2-CB 4.41Å; I191-L294 HydrophobicContact CG2-CD1 4.26Å; L192-L294 HydrophobicContact CD2-CD1 3.83Å; A195-L294 HydrophobicContact CB-CD1 4.01Å; A195-L294 HydrophobicContact CB-CD2 4.33Å; W226-L294 HydrophobicContact CH2-CD1 4.36Å; C290-L294 VanDerWaalsContact O-CB 3.25Å; C290-L294 WeakPolarHBondContact O-CB 3.44Å; C290-L294 PolarHBondContact O-N 3.18Å; L294-T297 PolarHBondContact O-N 3.35Å; L294-M298 HydrophobicContact CD1-CE 3.96Å; L294-M298 HydrophobicContact CD1-CG 4.49Å; L294-M298 VanDerWaalsContact O-CG 3.24Å; L294-M298 WeakPolarHBondContact O-CG 3.2Å; L294-M298 PolarHBondContact O-N 3.12Å |
| 295 | Q | 86.8 | Confident | 89.4 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -71.3 | -39.1 | -176.1 | -171.8 | 60.7 | 19.3 | 0 | 0 | 112 | T231 E293 T297 M298 L299 A876 | T231-Q295 PolarHBondContact OG1-NE2 3Å; T231-Q295 PolarHBondContact OG1-OE1 2.96Å; E293-Q295 VanDerWaalsContact C-N 3.31Å; E293-Q295 PolarHBondContact O-N 3.32Å; Q295-T297 VanDerWaalsContact C-N 3.34Å; Q295-M298 PolarHBondContact O-N 3.35Å; Q295-L299 PolarHBondContact O-N 2.93Å; Q295-A876 HydrophobicContact CG-CB 4.44Å |
| 296 | D | 87.6 | Confident | 89.4 | Confident | 106 Ų | 106 | 48 Ų | 48 | 57% | 0.567 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -68.4 | -37 | 175.8 | -65.9 | -18.9 | 0 | 0 | 0 | 111 | E293 L299 L300 | E293-D296 PolarHBondContact O-N 2.94Å; D296-L299 PolarHBondContact O-N 3.43Å; D296-L300 WeakPolarHBondContact O-CB 3.39Å; D296-L300 PolarHBondContact O-N 3.42Å |
| 297 | T | 92.3 | Very high | 89.2 | Confident | 11 Ų | 11 | 48.3 Ų | 48.3 | 7% | 0.067 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 173.1 | -58.6 | 0 | 0 | 0 | 0 | 111.6 | A188 I191 L192 E293 L294 Q295 L299 L300 L301 | A188-T297 HydrophobicContact CB-CG2 3.58Å; I191-T297 WeakPolarHBondContact CD1-OG1 3.22Å; L192-T297 HydrophobicContact CG-CG2 4.31Å; E293-T297 WeakPolarHBondContact O-CB 3.41Å; E293-T297 PolarHBondContact O-N 3.13Å; E293-T297 PolarHBondContact O-OG1 2.9Å; L294-T297 PolarHBondContact O-N 3.35Å; Q295-T297 VanDerWaalsContact C-N 3.34Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.05Å; T297-L300 PolarHBondContact O-N 2.86Å; T297-L301 HydrophobicContact CG2-CD1 4.31Å; T297-L301 WeakPolarHBondContact O-CG 3.42Å; T297-L301 PolarHBondContact O-N 3.14Å |
| 298 | M | 91.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.2 | -39.6 | 175.6 | -71.5 | -66.8 | -176.3 | 0 | 0 | 111.8 | L192 W226 M227 Q230 T231 M243 L294 Q295 S302 | L192-M298 HydrophobicContact CD2-CE 3.46Å; L192-M298 VanDerWaalsContact CD2-CE 3.46Å; L192-M298 HydrophobicContact CD2-SD 4.19Å; W226-M298 HydrophobicContact CH2-CE 4.14Å; W226-M298 HydrophobicContact CZ3-CE 3.67Å; M227-M298 HydrophobicContact CE-SD 4.15Å; M227-M298 HydrophobicContact CG-CE 4.23Å; M227-M298 HydrophobicContact CG-SD 4.03Å; Q230-M298 HydrophobicContact CB-CE 4.16Å; T231-M298 HydrophobicContact CG2-CB 4.08Å; T231-M298 HydrophobicContact CG2-CG 3.96Å; T231-M298 HydrophobicContact CG2-SD 4.08Å; M243-M298 HydrophobicContact CE-SD 4.14Å; L294-M298 HydrophobicContact CD1-CE 3.96Å; L294-M298 HydrophobicContact CD1-CG 4.49Å; L294-M298 VanDerWaalsContact O-CG 3.24Å; L294-M298 WeakPolarHBondContact O-CG 3.2Å; L294-M298 PolarHBondContact O-N 3.12Å; Q295-M298 PolarHBondContact O-N 3.35Å; M298-S302 WeakPolarHBondContact O-CB 3.36Å; M298-S302 PolarHBondContact O-N 3.25Å |
| 299 | L | 87.9 | Confident | 89.4 | Confident | 40 Ų | 40 | 39.6 Ų | 39.6 | 21% | 0.209 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -48.5 | 175.4 | -179.5 | 60.4 | 0 | 0 | 0 | 111.2 | Q295 D296 T297 L301 S302 Q303 D883 | Q295-L299 PolarHBondContact O-N 2.93Å; D296-L299 PolarHBondContact O-N 3.43Å; T297-L299 VanDerWaalsContact C-N 3.33Å; T297-L299 PolarHBondContact O-N 3.05Å; L299-L301 PolarHBondContact O-N 3.08Å; L299-S302 PolarHBondContact O-N 3.37Å; L299-S302 VanDerWaalsContact O-N 3.13Å; L299-S302 PolarHBondContact O-OG 2.86Å; L299-Q303 WeakPolarHBondContact O-CG 3.26Å; L299-Q303 PolarHBondContact O-N 3.09Å; L299-Q303 VanDerWaalsContact O-N 3.12Å; L299-D883 HydrophobicContact CD1-CB 4.43Å |
| 300 | L | 90.9 | Very high | 89.6 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 27% | 0.267 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -53.6 | -51.8 | 176 | 174.1 | 65.2 | 0 | 0 | 0 | 111.5 | D296 T297 S302 Q303 M304 | D296-L300 WeakPolarHBondContact O-CB 3.39Å; D296-L300 PolarHBondContact O-N 3.42Å; T297-L300 PolarHBondContact O-N 2.86Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.08Å; L300-Q303 WeakPolarHBondContact O-CB 3.43Å; L300-Q303 PolarHBondContact O-N 3.46Å; L300-Q303 VanDerWaalsContact O-N 3.15Å; L300-M304 HydrophobicContact CD1-CG 4.43Å; L300-M304 HydrophobicContact CD1-SD 3.9Å; L300-M304 HydrophobicContact CG-SD 4.15Å; L300-M304 WeakPolarHBondContact O-CG 3.41Å; L300-M304 PolarHBondContact O-N 3.36Å; L300-M304 VanDerWaalsContact O-N 3.17Å |
| 301 | L | 93.5 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.9 | -34.4 | 179.8 | -66.3 | 176 | 0 | 0 | 0 | 112.1 | L192 M243 V246 L247 T297 L299 Q303 M304 G305 | L192-L301 HydrophobicContact CD1-CD1 3.54Å; M243-L301 HydrophobicContact CB-CB 4.21Å; M243-L301 HydrophobicContact CE-CB 3.88Å; M243-L301 HydrophobicContact CG-CB 4.31Å; V246-L301 HydrophobicContact CB-CD2 4.14Å; V246-L301 HydrophobicContact CG1-CD2 3.9Å; L247-L301 HydrophobicContact CD1-CD1 3.77Å; L247-L301 HydrophobicContact CD1-CD2 3.47Å; L247-L301 VanDerWaalsContact CD1-CD2 3.47Å; L247-L301 HydrophobicContact CD1-CG 4.28Å; T297-L301 HydrophobicContact CG2-CD1 4.31Å; T297-L301 WeakPolarHBondContact O-CG 3.42Å; T297-L301 PolarHBondContact O-N 3.14Å; L299-L301 PolarHBondContact O-N 3.08Å; L301-Q303 VanDerWaalsContact C-N 3.25Å; L301-Q303 PolarHBondContact O-N 2.91Å; L301-M304 PolarHBondContact O-N 3.28Å; L301-G305 WeakPolarHBondContact O-CA 3.22Å; L301-G305 PolarHBondContact O-N 3.26Å |
| 302 | S | 91.3 | Very high | 89.8 | Confident | 18 Ų | 18 | 34.4 Ų | 34.4 | 13% | 0.126 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66.1 | -27.7 | 176.6 | 80.4 | 0 | 0 | 0 | 0 | 113.1 | M298 L299 L300 P306 | M298-S302 WeakPolarHBondContact O-CB 3.36Å; M298-S302 PolarHBondContact O-N 3.25Å; L299-S302 PolarHBondContact O-N 3.37Å; L299-S302 VanDerWaalsContact O-N 3.13Å; L299-S302 PolarHBondContact O-OG 2.86Å; L300-S302 VanDerWaalsContact C-N 3.29Å; L300-S302 PolarHBondContact O-N 3.08Å; S302-P306 WeakPolarHBondContact O-CD 3.48Å |
| 303 | Q | 88.3 | Confident | 90.1 | Very high | 63 Ų | 63 | 28.2 Ų | 28.2 | 29% | 0.294 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -78.8 | -38.5 | 176.5 | -69 | 172.1 | -8.3 | 0 | 0 | 112.1 | L299 L300 L301 D883 R886 | L299-Q303 WeakPolarHBondContact O-CG 3.26Å; L299-Q303 PolarHBondContact O-N 3.09Å; L299-Q303 VanDerWaalsContact O-N 3.12Å; L300-Q303 WeakPolarHBondContact O-CB 3.43Å; L300-Q303 PolarHBondContact O-N 3.46Å; L300-Q303 VanDerWaalsContact O-N 3.15Å; L301-Q303 VanDerWaalsContact C-N 3.25Å; L301-Q303 PolarHBondContact O-N 2.91Å; Q303-D883 PolarHBondContact NE2-OD2 3.01Å; Q303-R886 PolarHBondContact O-NE 3.42Å; Q303-R886 PolarHBondContact O-NH2 3.48Å |
| 304 | M | 90 | Very high | 90.2 | Very high | 65 Ų | 65 | 25.4 Ų | 25.4 | 32% | 0.32 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -81.9 | -31.9 | -179.6 | -61.9 | -177.6 | 69.4 | 0 | 0 | 113.2 | I185 V246 L300 L301 D307 A308 | I185-M304 HydrophobicContact CD1-CE 3.83Å; I185-M304 HydrophobicContact CG1-CE 4.29Å; V246-M304 HydrophobicContact CG1-CB 4.27Å; V246-M304 HydrophobicContact CG1-CE 4.01Å; V246-M304 HydrophobicContact CG1-SD 4.31Å; V246-M304 HydrophobicContact CG2-CB 3.82Å; L300-M304 HydrophobicContact CD1-CG 4.43Å; L300-M304 HydrophobicContact CD1-SD 3.9Å; L300-M304 HydrophobicContact CG-SD 4.15Å; L300-M304 WeakPolarHBondContact O-CG 3.41Å; L300-M304 PolarHBondContact O-N 3.36Å; L300-M304 VanDerWaalsContact O-N 3.17Å; L301-M304 PolarHBondContact O-N 3.28Å; M304-D307 PolarHBondContact O-N 3.22Å; M304-A308 PolarHBondContact O-N 3.41Å |
| 305 | G | 91.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -55 | -44.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 116 | G242 L301 D307 A308 H309 | G242-G305 CarbonylContact C-O 3.57Å; G242-G305 WeakPolarHBondContact CA-O 3.4Å; G242-G305 WeakPolarHBondContact O-CA 3.3Å; L301-G305 WeakPolarHBondContact O-CA 3.22Å; L301-G305 PolarHBondContact O-N 3.26Å; G305-D307 PolarHBondContact O-N 2.88Å; G305-A308 PolarHBondContact O-N 2.83Å; G305-H309 WeakPolarHBondContact O-CB 3.37Å; G305-H309 PolarHBondContact O-N 3.4Å |
| 306 | P | 90.3 | Very high | 90.4 | Very high | 14 Ų | 14 | 34.3 Ų | 34.3 | 9% | 0.091 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -70.3 | -30.9 | -175 | -17.2 | 28.8 | 0 | 0 | 0 | 113.8 | S302 H309 M310 E332 R886 | S302-P306 WeakPolarHBondContact O-CD 3.48Å; P306-H309 WeakPolarHBondContact O-CB 3.39Å; P306-H309 PolarHBondContact O-N 2.96Å; P306-M310 PolarHBondContact O-N 3.17Å; P306-E332 VanDerWaalsContact CB-OE1 3.23Å; P306-E332 WeakPolarHBondContact CB-OE1 3.33Å; P306-R886 VanDerWaalsContact CG-CZ 3.48Å |
| 307 | D | 85.3 | Confident | 90.6 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 27% | 0.273 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -71.9 | -41 | 175.8 | 167.2 | 52 | 0 | 0 | 0 | 110.9 | M304 G305 H309 M310 R311 E332 R886 | M304-D307 PolarHBondContact O-N 3.22Å; G305-D307 PolarHBondContact O-N 2.88Å; D307-H309 VanDerWaalsContact C-N 3.29Å; D307-H309 PolarHBondContact O-N 3.04Å; D307-M310 PolarHBondContact O-N 3.3Å; D307-R311 PolarHBondContact O-N 3.47Å; D307-R311 IonicContact OD1-NH1 3.22Å; D307-R311 PolarHBondContact OD1-NH1 2.98Å; D307-R311 VanDerWaalsContact OD1-NH1 3.14Å; D307-R311 IonicContact OD2-CZ 2.83Å; D307-R311 IonicContact OD2-NH1 2.9Å; D307-R311 PolarHBondContact OD2-NH1 3.36Å; D307-R311 IonicContact OD2-NH2 2.67Å; D307-E332 PolarHBondContact N-OE2 3.4Å; D307-R886 VanDerWaalsContact N-NH2 3.18Å |
| 308 | A | 89.3 | Confident | 90.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q245 V246 E249 M304 G305 R311 M312 | Q245-A308 HydrophobicContact CG-CB 4.27Å; V246-A308 HydrophobicContact CG2-CB 3.68Å; E249-A308 WeakPolarHBondContact OE1-CB 3.5Å; M304-A308 PolarHBondContact O-N 3.41Å; G305-A308 PolarHBondContact O-N 2.83Å; A308-R311 PolarHBondContact O-N 3Å; A308-M312 PolarHBondContact O-N 3.37Å |
| 309 | H | 91.7 | Very high | 90.5 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 8% | 0.079 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.9 | -46.6 | 175.8 | -154 | 152 | 0 | 0 | 0 | 111.4 | T238 G305 P306 D307 R311 M312 I313 I328 | T238-H309 VanDerWaalsContact CG2-CE1 3.47Å; T238-H309 WeakPolarHBondContact CG2-CE1 3.47Å; T238-H309 PolarHBondContact O-CE1 2.78Å; T238-H309 PolarHBondContact O-ND1 3.5Å; T238-H309 VanDerWaalsContact O-ND1 3.12Å; G305-H309 WeakPolarHBondContact O-CB 3.37Å; G305-H309 PolarHBondContact O-N 3.4Å; P306-H309 WeakPolarHBondContact O-CB 3.39Å; P306-H309 PolarHBondContact O-N 2.96Å; D307-H309 VanDerWaalsContact C-N 3.29Å; D307-H309 PolarHBondContact O-N 3.04Å; H309-R311 PolarHBondContact O-N 2.76Å; H309-M312 WeakPolarHBondContact CD2-CE 3.43Å; H309-M312 WeakPolarHBondContact NE2-CE 3.44Å; H309-M312 WeakPolarHBondContact O-CB 3.25Å; H309-M312 PolarHBondContact O-N 3.46Å; H309-I313 WeakPolarHBondContact CD2-CD1 3.36Å; H309-I313 WeakPolarHBondContact O-CG1 3.41Å; H309-I313 PolarHBondContact O-N 3.15Å; H309-I328 HydrophobicContact CB-CG2 4.47Å |
| 310 | M | 92.2 | Very high | 90.8 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 175.8 | 173.3 | -173 | 65.1 | 0 | 0 | 111.1 | P306 D307 M312 I313 L314 I329 E332 L333 L380 | P306-M310 PolarHBondContact O-N 3.17Å; D307-M310 PolarHBondContact O-N 3.3Å; M310-M312 VanDerWaalsContact C-N 3.32Å; M310-M312 PolarHBondContact O-N 3.36Å; M310-I313 PolarHBondContact O-N 3Å; M310-L314 HydrophobicContact CG-CD1 3.52Å; M310-L314 HydrophobicContact CG-CG 4Å; M310-L314 WeakPolarHBondContact O-CB 3.47Å; M310-L314 VanDerWaalsContact O-CG 3.27Å; M310-L314 WeakPolarHBondContact O-CG 3.33Å; M310-L314 PolarHBondContact O-N 2.89Å; M310-L314 HydrophobicContact SD-CD1 4.06Å; M310-I329 HydrophobicContact CG-CG1 4.33Å; M310-E332 HydrophobicContact CB-CB 4.22Å; M310-E332 HydrophobicContact CB-CG 3.74Å; M310-E332 HydrophobicContact CE-CB 4.16Å; M310-E332 HydrophobicContact CG-CB 4.25Å; M310-E332 HydrophobicContact CG-CG 4.32Å; M310-E332 HydrophobicContact SD-CB 3.36Å; M310-E332 WeakPolarHBondContact SD-CB 3.22Å; M310-E332 HydrophobicContact SD-CG 4Å; M310-L333 HydrophobicContact SD-CD2 4.4Å; M310-L380 HydrophobicContact CE-CD1 4.42Å |
| 311 | R | 89.9 | Confident | 90.9 | Very high | 32 Ų | 32 | 41.5 Ų | 41.5 | 12% | 0.121 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | 176.1 | -76.5 | -165.2 | -68.6 | -84.1 | 1.2 | 112.7 | E249 D307 A308 H309 I313 L314 R315 F356 | E249-R311 VanDerWaalsContact CD-NH2 3.28Å; E249-R311 IonicContact OE1-CZ 3.83Å; E249-R311 IonicContact OE1-NH2 3.07Å; E249-R311 PolarHBondContact OE1-NH2 3.48Å; E249-R311 IonicContact OE2-CZ 3.26Å; E249-R311 IonicContact OE2-NE 3.16Å; E249-R311 PolarHBondContact OE2-NE 3.24Å; E249-R311 VanDerWaalsContact OE2-NE 3.12Å; E249-R311 IonicContact OE2-NH2 3.91Å; E249-R311 PolarHBondContact OE2-NH2 2.88Å; E249-R311 VanDerWaalsContact OE2-NH2 3.07Å; D307-R311 PolarHBondContact O-N 3.47Å; D307-R311 IonicContact OD1-NH1 3.22Å; D307-R311 PolarHBondContact OD1-NH1 2.98Å; D307-R311 VanDerWaalsContact OD1-NH1 3.14Å; D307-R311 IonicContact OD2-CZ 2.83Å; D307-R311 IonicContact OD2-NH1 2.9Å; D307-R311 PolarHBondContact OD2-NH1 3.36Å; D307-R311 IonicContact OD2-NH2 2.67Å; A308-R311 PolarHBondContact O-N 3Å; H309-R311 PolarHBondContact O-N 2.76Å; R311-I313 VanDerWaalsContact C-N 3.32Å; R311-I313 PolarHBondContact O-N 2.99Å; R311-L314 PolarHBondContact O-N 3.14Å; R311-R315 WeakPolarHBondContact O-CG 3.45Å; R311-R315 PolarHBondContact O-N 2.9Å; R311-F356 HydrophobicContact CB-CE2 4.39Å; R311-F356 HydrophobicContact CG-CD2 4.08Å; R311-F356 HydrophobicContact CG-CE2 3.64Å; R311-F356 HydrophobicContact CG-CZ 4.19Å |
| 312 | M | 90.6 | Very high | 90.9 | Very high | 24 Ų | 24 | 44.9 Ų | 44.9 | 12% | 0.118 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.6 | -45.7 | 176.8 | 176.8 | -176.3 | 66.1 | 0 | 0 | 111.1 | V241 Q245 H261 A308 H309 M310 | V241-M312 HydrophobicContact CG1-CE 3.96Å; Q245-M312 HydrophobicContact CG-CB 4.18Å; Q245-M312 HydrophobicContact CG-SD 4.21Å; H261-M312 HydrophobicContact CB-CG 3.64Å; H261-M312 HydrophobicContact CB-SD 3.46Å; H261-M312 WeakPolarHBondContact CB-SD 3.26Å; A308-M312 PolarHBondContact O-N 3.37Å; H309-M312 WeakPolarHBondContact CD2-CE 3.43Å; H309-M312 WeakPolarHBondContact NE2-CE 3.44Å; H309-M312 WeakPolarHBondContact O-CB 3.25Å; H309-M312 PolarHBondContact O-N 3.46Å; M310-M312 VanDerWaalsContact C-N 3.32Å; M310-M312 PolarHBondContact O-N 3.36Å |
| 313 | I | 91.8 | Very high | 90.7 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70 | -41.8 | -178.9 | -65.7 | 165.8 | 0 | 0 | 0 | 111.4 | H309 M310 R311 R315 K316 D325 I328 I329 | H309-I313 WeakPolarHBondContact CD2-CD1 3.36Å; H309-I313 WeakPolarHBondContact O-CG1 3.41Å; H309-I313 PolarHBondContact O-N 3.15Å; M310-I313 PolarHBondContact O-N 3Å; R311-I313 VanDerWaalsContact C-N 3.32Å; R311-I313 PolarHBondContact O-N 2.99Å; I313-R315 PolarHBondContact O-N 2.8Å; I313-R315 VanDerWaalsContact O-N 3.14Å; I313-K316 WeakPolarHBondContact O-CB 3.49Å; I313-K316 WeakPolarHBondContact O-CG 3.48Å; I313-K316 PolarHBondContact O-N 3.2Å; I313-D325 HydrophobicContact CG2-CB 3.43Å; I313-D325 VanDerWaalsContact CG2-CB 3.43Å; I313-I328 HydrophobicContact CD1-CB 3.78Å; I313-I328 HydrophobicContact CD1-CD1 3.64Å; I313-I328 HydrophobicContact CD1-CG1 4.33Å; I313-I328 HydrophobicContact CD1-CG2 3.61Å; I313-I329 HydrophobicContact CB-CG1 4.49Å; I313-I329 HydrophobicContact CG2-CD1 3.69Å; I313-I329 HydrophobicContact CG2-CG1 4.03Å |
| 314 | L | 92.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -15.9 | -177.6 | -74 | 171.9 | 0 | 0 | 0 | 113.9 | M310 R311 K316 R321 I329 L354 F356 L428 | M310-L314 HydrophobicContact CG-CD1 3.52Å; M310-L314 HydrophobicContact CG-CG 4Å; M310-L314 WeakPolarHBondContact O-CB 3.47Å; M310-L314 VanDerWaalsContact O-CG 3.27Å; M310-L314 WeakPolarHBondContact O-CG 3.33Å; M310-L314 PolarHBondContact O-N 2.89Å; M310-L314 HydrophobicContact SD-CD1 4.06Å; R311-L314 PolarHBondContact O-N 3.14Å; L314-K316 PolarHBondContact O-N 2.93Å; L314-R321 PolarHBondContact O-NH2 3.08Å; L314-I329 HydrophobicContact CD2-CD1 3.64Å; L314-I329 HydrophobicContact CD2-CG1 4.01Å; L314-I329 HydrophobicContact CD2-CG2 4.1Å; L314-I329 HydrophobicContact CG-CD1 4.18Å; L314-I329 HydrophobicContact CG-CG1 4.18Å; L314-L354 HydrophobicContact CD2-CB 4.08Å; L314-L354 WeakPolarHBondContact CD2-O 3.47Å; L314-F356 HydrophobicContact CB-CB 3.58Å; L314-F356 HydrophobicContact CD1-CB 4.34Å; L314-L428 HydrophobicContact CD1-CD2 3.41Å; L314-L428 VanDerWaalsContact CD1-CD2 3.41Å |
| 315 | R | 89.4 | Confident | 90.7 | Very high | 139 Ų | 139 | 49.1 Ų | 49.1 | 53% | 0.525 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -19.1 | 168.9 | -69.9 | 171.8 | -175.7 | -94.3 | 1.5 | 112.7 | H261 R311 I313 F356 | H261-R315 VanDerWaalsContact CE1-CD 3.49Å; H261-R315 WeakPolarHBondContact CE1-CD 3.44Å; R311-R315 WeakPolarHBondContact O-CG 3.45Å; R311-R315 PolarHBondContact O-N 2.9Å; I313-R315 PolarHBondContact O-N 2.8Å; I313-R315 VanDerWaalsContact O-N 3.14Å; R315-F356 HydrophobicContact CG-CD1 4.29Å |
| 316 | K | 90.9 | Very high | 90.7 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 34% | 0.339 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -70.8 | 138.1 | 170.5 | -61.1 | 173.3 | 179.9 | 172.3 | 0 | 109.9 | I313 L314 R321 D325 | I313-K316 WeakPolarHBondContact O-CB 3.49Å; I313-K316 WeakPolarHBondContact O-CG 3.48Å; I313-K316 PolarHBondContact O-N 3.2Å; L314-K316 PolarHBondContact O-N 2.93Å; K316-R321 HydrophobicContact CB-CG 4.27Å; K316-R321 PolarHBondContact O-NE 3.19Å; K316-R321 PolarHBondContact O-NH2 2.77Å; K316-R321 VanDerWaalsContact O-NH2 3.08Å; K316-D325 WeakPolarHBondContact CD-OD2 3.45Å; K316-D325 IonicContact NZ-OD1 3.02Å; K316-D325 PolarHBondContact NZ-OD1 3.44Å; K316-D325 IonicContact NZ-OD2 2.64Å; K316-D325 PolarHBondContact NZ-OD2 2.84Å |
| 317 | P | 90.9 | Very high | 90.6 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 43% | 0.429 | 31% | 0.308 | S | S | . | . | trans | -55.4 | 144.6 | 170.7 | -24.2 | 33.5 | 0 | 0 | 0 | 111.9 | G319 Q320 | P317-G319 VanDerWaalsContact C-N 3.32Å; P317-G319 PolarHBondContact O-N 3.49Å; P317-G319 VanDerWaalsContact O-N 3.17Å; P317-Q320 HydrophobicContact CB-CG 4.39Å; P317-Q320 PolarHBondContact O-N 3.44Å | ||
| 318 | P | 92.3 | Very high | 90.7 | Very high | 49 Ų | 49 | 55.8 Ų | 55.8 | 32% | 0.318 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -40.1 | -52.6 | 177.8 | -38.6 | 41 | 0 | 0 | 0 | 115.1 | Q320 R321 G352 | P318-Q320 PolarHBondContact O-N 2.84Å; P318-Q320 VanDerWaalsContact O-N 3.16Å; P318-R321 PolarHBondContact O-N 3.39Å; P318-G352 WeakPolarHBondContact CA-O 3.34Å; P318-G352 WeakPolarHBondContact CB-O 3.32Å |
| 319 | G | 90.6 | Very high | 90.9 | Very high | 83 Ų | 83 | 55.8 Ų | 55.8 | 86% | 0.856 | 30% | 0.302 | S | S | * | . | G | 310 helix | trans | -72.7 | -3.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | P317 | P317-G319 VanDerWaalsContact C-N 3.32Å; P317-G319 PolarHBondContact O-N 3.49Å; P317-G319 VanDerWaalsContact O-N 3.17Å |
| 320 | Q | 92.8 | Very high | 90.8 | Very high | 139 Ų | 139 | 56.8 Ų | 56.8 | 65% | 0.65 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -109.3 | 3 | -179.5 | -64.6 | -176.9 | 1.7 | 0 | 0 | 113.3 | P317 P318 | P317-Q320 HydrophobicContact CB-CG 4.39Å; P317-Q320 PolarHBondContact O-N 3.44Å; P318-Q320 PolarHBondContact O-N 2.84Å; P318-Q320 VanDerWaalsContact O-N 3.16Å |
| 321 | R | 94.2 | Very high | 90.6 | Very high | 23 Ų | 23 | 59.5 Ų | 59.5 | 9% | 0.087 | 32% | 0.319 | C | S | . | . | trans | -76.5 | 132.3 | 178.9 | -65.6 | 174.6 | -174.1 | 168.9 | 5.8 | 110.3 | L314 K316 P318 D325 L326 A351 L354 | L314-R321 PolarHBondContact O-NH2 3.08Å; K316-R321 HydrophobicContact CB-CG 4.27Å; K316-R321 PolarHBondContact O-NE 3.19Å; K316-R321 PolarHBondContact O-NH2 2.77Å; K316-R321 VanDerWaalsContact O-NH2 3.08Å; P318-R321 PolarHBondContact O-N 3.39Å; R321-D325 HydrophobicContact CB-CB 4.03Å; R321-L326 HydrophobicContact CB-CD2 3.92Å; R321-L326 HydrophobicContact CB-CG 4.3Å; R321-A351 PolarHBondContact NH1-O 3.15Å; R321-L354 PolarHBondContact NH1-O 3Å; R321-L354 PolarHBondContact NH2-O 3.3Å | ||
| 322 | T | 92.6 | Very high | 90.5 | Very high | 71 Ų | 71 | 58.5 Ų | 58.5 | 44% | 0.436 | 32% | 0.315 | S | S | . | . | trans | -76.7 | 170.8 | 173.7 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | D324 D325 L326 | T322-D324 VanDerWaalsContact C-N 3.29Å; T322-D324 PolarHBondContact O-N 3.41Å; T322-D325 PolarHBondContact N-OD2 3.44Å; T322-D325 WeakPolarHBondContact O-CB 3.43Å; T322-D325 PolarHBondContact O-N 3.49Å; T322-D325 PolarHBondContact OG1-N 2.84Å; T322-D325 VanDerWaalsContact OG1-N 3.14Å; T322-D325 PolarHBondContact OG1-OD2 2.75Å; T322-L326 WeakPolarHBondContact O-CG 3.48Å; T322-L326 PolarHBondContact O-N 3.5Å; T322-L326 VanDerWaalsContact O-N 3.12Å | ||
| 323 | V | 88.1 | Confident | 90.5 | Very high | 113 Ų | 113 | 57.3 Ų | 57.3 | 69% | 0.685 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.6 | -41.8 | 175.1 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | D325 L326 E327 | V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 2.99Å; V323-L326 PolarHBondContact O-N 3.38Å; V323-E327 PolarHBondContact O-N 3.36Å; V323-E327 VanDerWaalsContact O-N 3.08Å |
| 324 | D | 86.9 | Confident | 90.1 | Very high | 111 Ų | 111 | 61.1 Ų | 61.1 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.4 | -38.3 | 177 | -59.4 | -14.1 | 0 | 0 | 0 | 111.6 | T322 L326 E327 I328 | T322-D324 VanDerWaalsContact C-N 3.29Å; T322-D324 PolarHBondContact O-N 3.41Å; D324-L326 VanDerWaalsContact C-N 3.33Å; D324-L326 PolarHBondContact O-N 3.11Å; D324-E327 PolarHBondContact O-N 2.93Å; D324-I328 WeakPolarHBondContact O-CD1 3.47Å; D324-I328 VanDerWaalsContact O-CG1 3.3Å; D324-I328 WeakPolarHBondContact O-CG1 3.34Å; D324-I328 PolarHBondContact O-N 3.45Å |
| 325 | D | 90.3 | Very high | 89.8 | Confident | 12 Ų | 12 | 64.6 Ų | 64.6 | 6% | 0.064 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 175.1 | -73 | -31.7 | 0 | 0 | 0 | 111 | I313 K316 R321 T322 V323 I328 I329 | I313-D325 HydrophobicContact CG2-CB 3.43Å; I313-D325 VanDerWaalsContact CG2-CB 3.43Å; K316-D325 WeakPolarHBondContact CD-OD2 3.45Å; K316-D325 IonicContact NZ-OD1 3.02Å; K316-D325 PolarHBondContact NZ-OD1 3.44Å; K316-D325 IonicContact NZ-OD2 2.64Å; K316-D325 PolarHBondContact NZ-OD2 2.84Å; R321-D325 HydrophobicContact CB-CB 4.03Å; T322-D325 PolarHBondContact N-OD2 3.44Å; T322-D325 WeakPolarHBondContact O-CB 3.43Å; T322-D325 PolarHBondContact O-N 3.49Å; T322-D325 PolarHBondContact OG1-N 2.84Å; T322-D325 VanDerWaalsContact OG1-N 3.14Å; T322-D325 PolarHBondContact OG1-OD2 2.75Å; V323-D325 VanDerWaalsContact C-N 3.33Å; V323-D325 PolarHBondContact O-N 2.99Å; D325-I328 PolarHBondContact O-N 2.95Å; D325-I329 VanDerWaalsContact O-CG1 3.3Å; D325-I329 WeakPolarHBondContact O-CG1 3.18Å; D325-I329 PolarHBondContact O-N 3.29Å |
| 326 | L | 91.8 | Very high | 89.6 | Confident | 59 Ų | 59 | 59 Ų | 59 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | -179.7 | -63.3 | 176.2 | 0 | 0 | 0 | 112.1 | R321 T322 V323 D324 Y330 A351 | R321-L326 HydrophobicContact CB-CD2 3.92Å; R321-L326 HydrophobicContact CB-CG 4.3Å; T322-L326 WeakPolarHBondContact O-CG 3.48Å; T322-L326 PolarHBondContact O-N 3.5Å; T322-L326 VanDerWaalsContact O-N 3.12Å; V323-L326 PolarHBondContact O-N 3.38Å; D324-L326 VanDerWaalsContact C-N 3.33Å; D324-L326 PolarHBondContact O-N 3.11Å; L326-Y330 VanDerWaalsContact O-CB 3.23Å; L326-Y330 WeakPolarHBondContact O-CB 3.34Å; L326-Y330 PolarHBondContact O-N 3.37Å; L326-A351 HydrophobicContact CD2-CB 4.44Å; L326-A351 WeakPolarHBondContact CD2-O 3.47Å |
| 327 | E | 88.3 | Confident | 89.1 | Confident | 116 Ų | 116 | 61.2 Ų | 61.2 | 54% | 0.542 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.3 | -44.2 | 177.4 | -172.5 | 162.7 | -155.5 | 0 | 0 | 111.5 | V323 D324 I329 Y330 E331 | V323-E327 PolarHBondContact O-N 3.36Å; V323-E327 VanDerWaalsContact O-N 3.08Å; D324-E327 PolarHBondContact O-N 2.93Å; E327-I329 PolarHBondContact O-N 3.13Å; E327-Y330 PolarHBondContact O-N 2.94Å; E327-E331 WeakPolarHBondContact O-CG 3.49Å; E327-E331 PolarHBondContact O-N 3.45Å |
| 328 | I | 88.3 | Confident | 88.6 | Confident | 30 Ų | 30 | 58.5 Ų | 58.5 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.9 | -45.8 | 176.8 | -65.6 | 163.3 | 0 | 0 | 0 | 111 | T238 H309 I313 D324 D325 E331 E332 | T238-I328 HydrophobicContact CG2-CD1 3.59Å; T238-I328 HydrophobicContact CG2-CG1 4.36Å; H309-I328 HydrophobicContact CB-CG2 4.47Å; I313-I328 HydrophobicContact CD1-CB 3.78Å; I313-I328 HydrophobicContact CD1-CD1 3.64Å; I313-I328 HydrophobicContact CD1-CG1 4.33Å; I313-I328 HydrophobicContact CD1-CG2 3.61Å; D324-I328 WeakPolarHBondContact O-CD1 3.47Å; D324-I328 VanDerWaalsContact O-CG1 3.3Å; D324-I328 WeakPolarHBondContact O-CG1 3.34Å; D324-I328 PolarHBondContact O-N 3.45Å; D325-I328 PolarHBondContact O-N 2.95Å; I328-E331 PolarHBondContact O-N 3.1Å; I328-E332 PolarHBondContact O-N 3.48Å |
| 329 | I | 92 | Very high | 88.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60 | -51.3 | 176.2 | -65.9 | 162.5 | 0 | 0 | 0 | 109.5 | M310 I313 L314 D325 E327 E331 E332 L333 A351 | M310-I329 HydrophobicContact CG-CG1 4.33Å; I313-I329 HydrophobicContact CB-CG1 4.49Å; I313-I329 HydrophobicContact CG2-CD1 3.69Å; I313-I329 HydrophobicContact CG2-CG1 4.03Å; L314-I329 HydrophobicContact CD2-CD1 3.64Å; L314-I329 HydrophobicContact CD2-CG1 4.01Å; L314-I329 HydrophobicContact CD2-CG2 4.1Å; L314-I329 HydrophobicContact CG-CD1 4.18Å; L314-I329 HydrophobicContact CG-CG1 4.18Å; D325-I329 VanDerWaalsContact O-CG1 3.3Å; D325-I329 WeakPolarHBondContact O-CG1 3.18Å; D325-I329 PolarHBondContact O-N 3.29Å; E327-I329 PolarHBondContact O-N 3.13Å; I329-E331 VanDerWaalsContact C-N 3.31Å; I329-E331 PolarHBondContact O-N 3.5Å; I329-E332 PolarHBondContact O-N 3.38Å; I329-L333 HydrophobicContact CG2-CD1 4.22Å; I329-L333 HydrophobicContact CG2-CD2 4.12Å; I329-L333 HydrophobicContact CG2-CG 4.07Å; I329-L333 WeakPolarHBondContact O-CG 3.36Å; I329-L333 PolarHBondContact O-N 3.19Å; I329-A351 HydrophobicContact CB-CB 4Å; I329-A351 HydrophobicContact CG2-CB 3.73Å |
| 330 | Y | 90.9 | Very high | 87.7 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 15% | 0.149 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -55.8 | -42.7 | -178.6 | 167.9 | -98.1 | 0 | 0 | 0 | 112.8 | L326 E327 E332 L333 L334 T344 K347 R348 | L326-Y330 VanDerWaalsContact O-CB 3.23Å; L326-Y330 WeakPolarHBondContact O-CB 3.34Å; L326-Y330 PolarHBondContact O-N 3.37Å; E327-Y330 PolarHBondContact O-N 2.94Å; Y330-E332 VanDerWaalsContact C-N 3.28Å; Y330-E332 PolarHBondContact O-N 3.3Å; Y330-L333 PolarHBondContact O-N 3.03Å; Y330-L334 HydrophobicContact CE1-CD1 4.09Å; Y330-L334 HydrophobicContact CE1-CG 4.49Å; Y330-L334 HydrophobicContact CE2-CD2 4.27Å; Y330-L334 PolarHBondContact O-N 3.35Å; Y330-T344 HydrophobicContact CE2-CG2 4.22Å; Y330-T344 WeakPolarHBondContact OH-CG2 3.43Å; Y330-K347 HydrophobicContact CD2-CB 4.06Å; Y330-K347 HydrophobicContact CE2-CB 3.91Å; Y330-R348 HydrophobicContact CD2-CB 4.4Å; Y330-R348 HydrophobicContact CD2-CG 3.52Å; Y330-R348 HydrophobicContact CE2-CG 3.58Å; Y330-R348 HydrophobicContact CG-CG 4.18Å |
| 331 | E | 86.4 | Confident | 86.9 | Confident | 61 Ų | 61 | 52.4 Ų | 52.4 | 29% | 0.285 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -57.1 | -41.2 | 175.9 | -75.6 | -167.6 | 170 | 0 | 0 | 112 | E327 I328 I329 L334 H335 R889 | E327-E331 WeakPolarHBondContact O-CG 3.49Å; E327-E331 PolarHBondContact O-N 3.45Å; I328-E331 PolarHBondContact O-N 3.1Å; I329-E331 VanDerWaalsContact C-N 3.31Å; I329-E331 PolarHBondContact O-N 3.5Å; E331-L334 WeakPolarHBondContact O-CB 3.3Å; E331-L334 PolarHBondContact O-N 3.3Å; E331-H335 PolarHBondContact O-CD2 3.45Å; E331-R889 IonicContact OE2-CZ 3.56Å; E331-R889 VanDerWaalsContact OE2-CZ 3.32Å; E331-R889 IonicContact OE2-NH1 3.58Å; E331-R889 PolarHBondContact OE2-NH1 3.24Å; E331-R889 IonicContact OE2-NH2 2.69Å; E331-R889 PolarHBondContact OE2-NH2 3.01Å |
| 332 | E | 89.6 | Confident | 86.3 | Confident | 10 Ų | 10 | 53 Ų | 53 | 5% | 0.047 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.1 | -35.2 | 177.5 | -65.6 | -52.5 | 103.1 | 0 | 0 | 112.8 | P306 D307 M310 I328 I329 Y330 L334 H335 R886 | P306-E332 VanDerWaalsContact CB-OE1 3.23Å; P306-E332 WeakPolarHBondContact CB-OE1 3.33Å; D307-E332 PolarHBondContact N-OE2 3.4Å; M310-E332 HydrophobicContact CB-CB 4.22Å; M310-E332 HydrophobicContact CB-CG 3.74Å; M310-E332 HydrophobicContact CE-CB 4.16Å; M310-E332 HydrophobicContact CG-CB 4.25Å; M310-E332 HydrophobicContact CG-CG 4.32Å; M310-E332 HydrophobicContact SD-CB 3.36Å; M310-E332 WeakPolarHBondContact SD-CB 3.22Å; M310-E332 HydrophobicContact SD-CG 4Å; I328-E332 PolarHBondContact O-N 3.48Å; I329-E332 PolarHBondContact O-N 3.38Å; Y330-E332 VanDerWaalsContact C-N 3.28Å; Y330-E332 PolarHBondContact O-N 3.3Å; E332-L334 PolarHBondContact O-N 3.33Å; E332-L334 VanDerWaalsContact O-N 3.15Å; E332-H335 WeakPolarHBondContact O-CB 3.27Å; E332-H335 PolarHBondContact O-N 2.98Å; E332-R886 IonicContact OE1-CZ 2.67Å; E332-R886 IonicContact OE1-NH1 2.74Å; E332-R886 PolarHBondContact OE1-NH1 2.94Å; E332-R886 IonicContact OE1-NH2 2.75Å; E332-R886 IonicContact OE2-CZ 3.93Å; E332-R886 IonicContact OE2-NH1 3.65Å; E332-R886 PolarHBondContact OE2-NH1 3.47Å; E332-R886 IonicContact OE2-NH2 2.84Å; E332-R886 PolarHBondContact OE2-NH2 2.98Å |
| 333 | L | 90.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.7 | -26.1 | 177.5 | -58.3 | -171.3 | 0 | 0 | 0 | 112.6 | M310 I329 Y330 H335 I336 L339 K347 L350 A351 L354 L428 | M310-L333 HydrophobicContact SD-CD2 4.4Å; I329-L333 HydrophobicContact CG2-CD1 4.22Å; I329-L333 HydrophobicContact CG2-CD2 4.12Å; I329-L333 HydrophobicContact CG2-CG 4.07Å; I329-L333 WeakPolarHBondContact O-CG 3.36Å; I329-L333 PolarHBondContact O-N 3.19Å; Y330-L333 PolarHBondContact O-N 3.03Å; L333-H335 PolarHBondContact O-N 3.1Å; L333-I336 HydrophobicContact CD2-CD1 3.8Å; L333-I336 PolarHBondContact O-N 2.91Å; L333-L339 HydrophobicContact CB-CD1 3.86Å; L333-L339 HydrophobicContact CD1-CD1 4.27Å; L333-L339 HydrophobicContact CD2-CD1 3.7Å; L333-L339 HydrophobicContact CG-CD1 4.11Å; L333-K347 VanDerWaalsContact CD1-O 3.31Å; L333-K347 WeakPolarHBondContact CD1-O 3.43Å; L333-L350 HydrophobicContact CD1-CB 4.07Å; L333-A351 HydrophobicContact CD1-CB 4.25Å; L333-L354 HydrophobicContact CD1-CD1 3.57Å; L333-L354 HydrophobicContact CD2-CD1 3.49Å; L333-L354 VanDerWaalsContact CD2-CD1 3.49Å; L333-L354 HydrophobicContact CG-CD1 4.17Å; L333-L428 HydrophobicContact CD2-CD1 4.36Å |
| 334 | L | 84.1 | Confident | 85.3 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 43% | 0.429 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -19.2 | 174.1 | -62.2 | 176.1 | 0 | 0 | 0 | 113 | Y330 E331 E332 K347 | Y330-L334 HydrophobicContact CE1-CD1 4.09Å; Y330-L334 HydrophobicContact CE1-CG 4.49Å; Y330-L334 HydrophobicContact CE2-CD2 4.27Å; Y330-L334 PolarHBondContact O-N 3.35Å; E331-L334 WeakPolarHBondContact O-CB 3.3Å; E331-L334 PolarHBondContact O-N 3.3Å; E332-L334 PolarHBondContact O-N 3.33Å; E332-L334 VanDerWaalsContact O-N 3.15Å; L334-K347 HydrophobicContact CD2-CD 4.06Å |
| 335 | H | 85.5 | Confident | 85 | Confident | 76 Ų | 76 | 44.6 Ų | 44.6 | 35% | 0.352 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | -7.6 | -179.1 | -58.5 | -53.1 | 0 | 0 | 0 | 113.3 | E331 E332 L333 K337 R886 | E331-H335 PolarHBondContact O-CD2 3.45Å; E332-H335 WeakPolarHBondContact O-CB 3.27Å; E332-H335 PolarHBondContact O-N 2.98Å; L333-H335 PolarHBondContact O-N 3.1Å; H335-K337 PolarHBondContact O-N 2.95Å; H335-R886 VanDerWaalsContact CE1-C 3.49Å; H335-R886 PolarHBondContact CE1-O 2.85Å |
| 336 | I | 85.8 | Confident | 84.8 | Confident | 22 Ų | 22 | 45 Ų | 45 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | trans | -85 | 112.9 | 177.9 | -58.5 | -179.9 | 0 | 0 | 0 | 109.7 | L333 A338 L339 S340 I378 L380 L428 | L333-I336 HydrophobicContact CD2-CD1 3.8Å; L333-I336 PolarHBondContact O-N 2.91Å; I336-A338 VanDerWaalsContact C-N 3.33Å; I336-A338 HydrophobicContact CG2-CB 4.28Å; I336-A338 PolarHBondContact O-N 3.37Å; I336-L339 HydrophobicContact CB-CB 4.47Å; I336-L339 HydrophobicContact CB-CD1 4.11Å; I336-L339 HydrophobicContact CB-CG 4.18Å; I336-L339 HydrophobicContact CD1-CD1 4.25Å; I336-L339 HydrophobicContact CG2-CD1 4.22Å; I336-L339 HydrophobicContact CG2-CG 3.97Å; I336-L339 PolarHBondContact O-N 2.82Å; I336-S340 PolarHBondContact O-N 3.25Å; I336-I378 HydrophobicContact CG2-CG2 4.11Å; I336-L380 HydrophobicContact CD1-CD2 4.2Å; I336-L428 HydrophobicContact CD1-CD1 3.51Å | ||
| 337 | K | 79.4 | Confident | 84.6 | Confident | 125 Ų | 125 | 43.2 Ų | 43.2 | 54% | 0.543 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -57.7 | -40.8 | -176 | -70.3 | 178.3 | -175.9 | 162.2 | 0 | 113.4 | I109 H335 L339 S340 | I109-K337 HydrophobicContact CD1-CD 4.44Å; H335-K337 PolarHBondContact O-N 2.95Å; K337-L339 PolarHBondContact O-N 2.81Å; K337-L339 VanDerWaalsContact O-N 3.09Å; K337-S340 VanDerWaalsContact O-CB 3.29Å; K337-S340 WeakPolarHBondContact O-CB 3.42Å; K337-S340 PolarHBondContact O-N 3.33Å; K337-S340 PolarHBondContact O-OG 2.97Å |
| 338 | A | 80.5 | Confident | 84.6 | Confident | 9 Ų | 9 | 43.9 Ų | 43.9 | 7% | 0.074 | 22% | 0.219 | C | C | . | . | G | 310 helix | trans | -56.5 | -27.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I336 H341 I378 D402 | I336-A338 VanDerWaalsContact C-N 3.33Å; I336-A338 HydrophobicContact CG2-CB 4.28Å; I336-A338 PolarHBondContact O-N 3.37Å; A338-H341 PolarHBondContact O-CE1 2.91Å; A338-H341 PolarHBondContact O-ND1 2.89Å; A338-H341 VanDerWaalsContact O-ND1 3.07Å; A338-I378 HydrophobicContact CB-CD1 4.08Å; A338-I378 HydrophobicContact CB-CG1 4.12Å; A338-I378 HydrophobicContact CB-CG2 3.87Å; A338-D402 HydrophobicContact CB-CB 4.08Å |
| 339 | L | 85.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -95.7 | -6.2 | -179.6 | -55.3 | -178.3 | 0 | 0 | 0 | 113.4 | L333 I336 K337 H341 L342 K347 L350 W376 I378 | L333-L339 HydrophobicContact CB-CD1 3.86Å; L333-L339 HydrophobicContact CD1-CD1 4.27Å; L333-L339 HydrophobicContact CD2-CD1 3.7Å; L333-L339 HydrophobicContact CG-CD1 4.11Å; I336-L339 HydrophobicContact CB-CB 4.47Å; I336-L339 HydrophobicContact CB-CD1 4.11Å; I336-L339 HydrophobicContact CB-CG 4.18Å; I336-L339 HydrophobicContact CD1-CD1 4.25Å; I336-L339 HydrophobicContact CG2-CD1 4.22Å; I336-L339 HydrophobicContact CG2-CG 3.97Å; I336-L339 PolarHBondContact O-N 2.82Å; K337-L339 PolarHBondContact O-N 2.81Å; K337-L339 VanDerWaalsContact O-N 3.09Å; L339-H341 VanDerWaalsContact C-N 3.27Å; L339-H341 PolarHBondContact O-N 3.49Å; L339-H341 VanDerWaalsContact O-N 3.16Å; L339-L342 HydrophobicContact CB-CD1 4.34Å; L339-L342 HydrophobicContact CD2-CD1 3.69Å; L339-L342 WeakPolarHBondContact O-CB 3.29Å; L339-L342 PolarHBondContact O-N 3.48Å; L339-K347 WeakPolarHBondContact O-CE 3.21Å; L339-K347 PolarHBondContact O-NZ 3.39Å; L339-L350 HydrophobicContact CD2-CD1 4.03Å; L339-W376 HydrophobicContact CD2-CH2 3.55Å; L339-W376 HydrophobicContact CD2-CZ2 4.48Å; L339-W376 HydrophobicContact CD2-CZ3 4.11Å; L339-I378 HydrophobicContact CD1-CD1 4.45Å; L339-I378 HydrophobicContact CD2-CD1 3.43Å; L339-I378 VanDerWaalsContact CD2-CD1 3.43Å; L339-I378 HydrophobicContact CG-CD1 3.93Å |
| 340 | S | 77.8 | Confident | 84.7 | Confident | 63 Ų | 63 | 45.8 Ų | 45.8 | 44% | 0.441 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -43.5 | -170.1 | 65 | 0 | 0 | 0 | 0 | 113 | I336 K337 L342 K347 | I336-S340 PolarHBondContact O-N 3.25Å; K337-S340 VanDerWaalsContact O-CB 3.29Å; K337-S340 WeakPolarHBondContact O-CB 3.42Å; K337-S340 PolarHBondContact O-N 3.33Å; K337-S340 PolarHBondContact O-OG 2.97Å; S340-L342 VanDerWaalsContact C-N 3.27Å; S340-L342 PolarHBondContact O-N 2.83Å; S340-K347 PolarHBondContact O-NZ 3Å |
| 341 | H | 76.4 | Confident | 84.8 | Confident | 79 Ų | 79 | 44 Ų | 44 | 37% | 0.366 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -9.4 | -178.5 | 71.1 | -79.5 | 0 | 0 | 0 | 115.2 | R130 A338 L339 | R130-H341 PolarHBondContact NH2-CD2 3.38Å; R130-H341 PolarHBondContact NH2-CE1 2.92Å; R130-H341 PolarHBondContact NH2-ND1 3.32Å; R130-H341 PolarHBondContact NH2-NE2 2.96Å; A338-H341 PolarHBondContact O-CE1 2.91Å; A338-H341 PolarHBondContact O-ND1 2.89Å; A338-H341 VanDerWaalsContact O-ND1 3.07Å; L339-H341 VanDerWaalsContact C-N 3.27Å; L339-H341 PolarHBondContact O-N 3.49Å; L339-H341 VanDerWaalsContact O-N 3.16Å |
| 342 | L | 81.6 | Confident | 85.1 | Confident | 36 Ų | 36 | 42.1 Ų | 42.1 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -82.8 | 146.7 | 178.9 | -56.6 | -179.9 | 0 | 0 | 0 | 110.9 | L339 S340 V346 K347 L350 W376 | L339-L342 HydrophobicContact CB-CD1 4.34Å; L339-L342 HydrophobicContact CD2-CD1 3.69Å; L339-L342 WeakPolarHBondContact O-CB 3.29Å; L339-L342 PolarHBondContact O-N 3.48Å; S340-L342 VanDerWaalsContact C-N 3.27Å; S340-L342 PolarHBondContact O-N 2.83Å; L342-V346 HydrophobicContact CB-CB 4.32Å; L342-V346 HydrophobicContact CB-CG1 4.07Å; L342-V346 HydrophobicContact CD1-CG1 3.92Å; L342-V346 HydrophobicContact CD2-CG1 4.41Å; L342-V346 HydrophobicContact CG-CG1 4.37Å; L342-K347 HydrophobicContact CB-CG 4.22Å; L342-K347 WeakPolarHBondContact O-CE 3.12Å; L342-K347 PolarHBondContact O-NZ 2.98Å; L342-L350 HydrophobicContact CD1-CD1 3.54Å; L342-W376 HydrophobicContact CD1-CH2 4.36Å |
| 343 | S | 79.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 25% | 0.252 | 22% | 0.217 | S | C | . | . | trans | -64.6 | 160.5 | 176.7 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | T345 V346 K347 | S343-T345 VanDerWaalsContact C-N 3.26Å; S343-T345 PolarHBondContact O-N 3.14Å; S343-V346 PolarHBondContact O-N 3.16Å; S343-V346 WeakPolarHBondContact OG-CG2 3.2Å; S343-V346 PolarHBondContact OG-N 2.79Å; S343-K347 WeakPolarHBondContact O-CG 3.44Å; S343-K347 PolarHBondContact O-N 3.44Å | ||
| 344 | T | 80.1 | Confident | 85.6 | Confident | 57 Ų | 57 | 41.9 Ų | 41.9 | 35% | 0.35 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -58.6 | -40.1 | 177.1 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | Y330 K347 R348 | Y330-T344 HydrophobicContact CE2-CG2 4.22Å; Y330-T344 WeakPolarHBondContact OH-CG2 3.43Å; T344-K347 PolarHBondContact O-N 3.39Å; T344-R348 WeakPolarHBondContact O-CG 3.48Å; T344-R348 PolarHBondContact O-N 3.39Å |
| 345 | T | 80.5 | Confident | 86.1 | Confident | 25 Ų | 25 | 39.8 Ų | 39.8 | 15% | 0.153 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -49.4 | 177.3 | -50.5 | 0 | 0 | 0 | 0 | 111.1 | S343 K347 R348 E349 E460 | S343-T345 VanDerWaalsContact C-N 3.26Å; S343-T345 PolarHBondContact O-N 3.14Å; T345-K347 VanDerWaalsContact C-N 3.33Å; T345-K347 PolarHBondContact O-N 2.92Å; T345-R348 PolarHBondContact O-N 2.72Å; T345-R348 VanDerWaalsContact O-N 3.14Å; T345-E349 PolarHBondContact O-N 3.48Å; T345-E460 WeakPolarHBondContact CB-OE1 3.47Å; T345-E460 WeakPolarHBondContact CG2-OE1 3.46Å; T345-E460 PolarHBondContact OG1-OE1 3.45Å |
| 346 | V | 86.4 | Confident | 86.5 | Confident | 22 Ų | 22 | 37.1 Ų | 37.1 | 13% | 0.133 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 178.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | L342 S343 R348 E349 L350 I438 V442 | L342-V346 HydrophobicContact CB-CB 4.32Å; L342-V346 HydrophobicContact CB-CG1 4.07Å; L342-V346 HydrophobicContact CD1-CG1 3.92Å; L342-V346 HydrophobicContact CD2-CG1 4.41Å; L342-V346 HydrophobicContact CG-CG1 4.37Å; S343-V346 PolarHBondContact O-N 3.16Å; S343-V346 WeakPolarHBondContact OG-CG2 3.2Å; S343-V346 PolarHBondContact OG-N 2.79Å; V346-R348 VanDerWaalsContact C-N 3.32Å; V346-R348 PolarHBondContact O-N 2.99Å; V346-E349 PolarHBondContact O-N 2.96Å; V346-L350 HydrophobicContact CG1-CD1 3.98Å; V346-L350 HydrophobicContact CG1-CG 4.19Å; V346-L350 WeakPolarHBondContact O-CB 3.5Å; V346-L350 VanDerWaalsContact O-CG 3.24Å; V346-L350 WeakPolarHBondContact O-CG 3.2Å; V346-L350 PolarHBondContact O-N 3.06Å; V346-I438 HydrophobicContact CG1-CG2 4.24Å; V346-I438 HydrophobicContact CG2-CG2 4.39Å; V346-V442 HydrophobicContact CG2-CG2 3.85Å |
| 347 | K | 88.5 | Confident | 86.9 | Confident | 20 Ų | 20 | 37.6 Ų | 37.6 | 9% | 0.087 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 177.3 | -71.2 | 172.4 | -177.6 | 154.8 | 0 | 112.4 | Y330 L333 L334 L339 S340 L342 S343 T344 T345 L350 A351 | Y330-K347 HydrophobicContact CD2-CB 4.06Å; Y330-K347 HydrophobicContact CE2-CB 3.91Å; L333-K347 VanDerWaalsContact CD1-O 3.31Å; L333-K347 WeakPolarHBondContact CD1-O 3.43Å; L334-K347 HydrophobicContact CD2-CD 4.06Å; L339-K347 WeakPolarHBondContact O-CE 3.21Å; L339-K347 PolarHBondContact O-NZ 3.39Å; S340-K347 PolarHBondContact O-NZ 3Å; L342-K347 HydrophobicContact CB-CG 4.22Å; L342-K347 WeakPolarHBondContact O-CE 3.12Å; L342-K347 PolarHBondContact O-NZ 2.98Å; S343-K347 WeakPolarHBondContact O-CG 3.44Å; S343-K347 PolarHBondContact O-N 3.44Å; T344-K347 PolarHBondContact O-N 3.39Å; T345-K347 VanDerWaalsContact C-N 3.33Å; T345-K347 PolarHBondContact O-N 2.92Å; K347-L350 PolarHBondContact O-N 2.97Å; K347-A351 PolarHBondContact O-N 3.17Å; K347-A351 VanDerWaalsContact O-N 3.1Å |
| 348 | R | 88.6 | Confident | 87.4 | Confident | 130 Ų | 130 | 34.4 Ų | 34.4 | 49% | 0.491 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -67.6 | -43.6 | 176.3 | -74.7 | -177.5 | 174.1 | -177.4 | -2.8 | 112.3 | Y330 T344 T345 V346 L350 A351 | Y330-R348 HydrophobicContact CD2-CB 4.4Å; Y330-R348 HydrophobicContact CD2-CG 3.52Å; Y330-R348 HydrophobicContact CE2-CG 3.58Å; Y330-R348 HydrophobicContact CG-CG 4.18Å; T344-R348 WeakPolarHBondContact O-CG 3.48Å; T344-R348 PolarHBondContact O-N 3.39Å; T345-R348 PolarHBondContact O-N 2.72Å; T345-R348 VanDerWaalsContact O-N 3.14Å; V346-R348 VanDerWaalsContact C-N 3.32Å; V346-R348 PolarHBondContact O-N 2.99Å; R348-L350 VanDerWaalsContact C-N 3.32Å; R348-L350 PolarHBondContact O-N 2.8Å; R348-A351 WeakPolarHBondContact O-CB 3.49Å; R348-A351 PolarHBondContact O-N 2.88Å |
| 349 | E | 89.8 | Confident | 87.9 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 31% | 0.308 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 173.9 | -69.8 | -62.2 | 144.1 | 0 | 0 | 111.3 | T345 V346 A351 G352 V353 I438 | T345-E349 PolarHBondContact O-N 3.48Å; V346-E349 PolarHBondContact O-N 2.96Å; E349-A351 VanDerWaalsContact C-N 3.3Å; E349-A351 PolarHBondContact O-N 3.45Å; E349-G352 WeakPolarHBondContact O-CA 3.28Å; E349-G352 PolarHBondContact O-N 2.98Å; E349-V353 PolarHBondContact O-N 3.03Å; E349-I438 HydrophobicContact CB-CD1 3.95Å; E349-I438 HydrophobicContact CB-CG1 3.92Å; E349-I438 HydrophobicContact CB-CG2 4.05Å |
| 350 | L | 91.9 | Very high | 87.8 | Confident | 5 Ų | 5 | 39.3 Ų | 39.3 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.2 | -38.9 | 175.6 | -77.5 | 176.9 | 0 | 0 | 0 | 112.5 | L333 L339 L342 V346 K347 R348 G352 V353 L354 V430 I438 | L333-L350 HydrophobicContact CD1-CB 4.07Å; L339-L350 HydrophobicContact CD2-CD1 4.03Å; L342-L350 HydrophobicContact CD1-CD1 3.54Å; V346-L350 HydrophobicContact CG1-CD1 3.98Å; V346-L350 HydrophobicContact CG1-CG 4.19Å; V346-L350 WeakPolarHBondContact O-CB 3.5Å; V346-L350 VanDerWaalsContact O-CG 3.24Å; V346-L350 WeakPolarHBondContact O-CG 3.2Å; V346-L350 PolarHBondContact O-N 3.06Å; K347-L350 PolarHBondContact O-N 2.97Å; R348-L350 VanDerWaalsContact C-N 3.32Å; R348-L350 PolarHBondContact O-N 2.8Å; L350-G352 PolarHBondContact O-N 2.81Å; L350-G352 VanDerWaalsContact O-N 3.16Å; L350-V353 HydrophobicContact CD2-CG2 4.18Å; L350-V353 PolarHBondContact O-N 3.23Å; L350-L354 HydrophobicContact CB-CD1 3.93Å; L350-L354 HydrophobicContact CB-CG 4.15Å; L350-L354 HydrophobicContact CD2-CG 4.46Å; L350-L354 WeakPolarHBondContact O-CB 3.37Å; L350-L354 WeakPolarHBondContact O-CD1 3.26Å; L350-L354 WeakPolarHBondContact O-CG 3.29Å; L350-L354 PolarHBondContact O-N 3.12Å; L350-V430 HydrophobicContact CD2-CG1 4.25Å; L350-V430 HydrophobicContact CD2-CG2 3.67Å; L350-I438 HydrophobicContact CD2-CD1 3.97Å; L350-I438 HydrophobicContact CG-CD1 4.4Å |
| 351 | A | 92.9 | Very high | 88.3 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.1 | -31.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R321 L326 I329 L333 K347 R348 E349 | R321-A351 PolarHBondContact NH1-O 3.15Å; L326-A351 HydrophobicContact CD2-CB 4.44Å; L326-A351 WeakPolarHBondContact CD2-O 3.47Å; I329-A351 HydrophobicContact CB-CB 4Å; I329-A351 HydrophobicContact CG2-CB 3.73Å; L333-A351 HydrophobicContact CD1-CB 4.25Å; K347-A351 PolarHBondContact O-N 3.17Å; K347-A351 VanDerWaalsContact O-N 3.1Å; R348-A351 WeakPolarHBondContact O-CB 3.49Å; R348-A351 PolarHBondContact O-N 2.88Å; E349-A351 VanDerWaalsContact C-N 3.3Å; E349-A351 PolarHBondContact O-N 3.45Å |
| 352 | G | 93.3 | Very high | 88.8 | Confident | 20 Ų | 20 | 39.8 Ų | 39.8 | 21% | 0.206 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -74.1 | -27.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | P318 E349 L350 | P318-G352 WeakPolarHBondContact CA-O 3.34Å; P318-G352 WeakPolarHBondContact CB-O 3.32Å; E349-G352 WeakPolarHBondContact O-CA 3.28Å; E349-G352 PolarHBondContact O-N 2.98Å; L350-G352 PolarHBondContact O-N 2.81Å; L350-G352 VanDerWaalsContact O-N 3.16Å |
| 353 | V | 94.3 | Very high | 89 | Confident | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.03 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -117.1 | -20.5 | -169.6 | -57.5 | 0 | 0 | 0 | 0 | 115.1 | E349 L350 I355 V430 D434 I438 | E349-V353 PolarHBondContact O-N 3.03Å; L350-V353 HydrophobicContact CD2-CG2 4.18Å; L350-V353 PolarHBondContact O-N 3.23Å; V353-I355 PolarHBondContact O-N 3.12Å; V353-V430 HydrophobicContact CG2-CG1 4.33Å; V353-D434 HydrophobicContact CB-CB 3.92Å; V353-D434 HydrophobicContact CG1-CB 3.97Å; V353-D434 HydrophobicContact CG2-CB 4.18Å; V353-I438 HydrophobicContact CG1-CD1 4.43Å; V353-I438 HydrophobicContact CG2-CD1 3.55Å |
| 354 | L | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -57.7 | 131 | -176.4 | -80.7 | 163.3 | 0 | 0 | 0 | 110.8 | L314 R321 L333 L350 L428 V430 | L314-L354 HydrophobicContact CD2-CB 4.08Å; L314-L354 WeakPolarHBondContact CD2-O 3.47Å; R321-L354 PolarHBondContact NH1-O 3Å; R321-L354 PolarHBondContact NH2-O 3.3Å; L333-L354 HydrophobicContact CD1-CD1 3.57Å; L333-L354 HydrophobicContact CD2-CD1 3.49Å; L333-L354 VanDerWaalsContact CD2-CD1 3.49Å; L333-L354 HydrophobicContact CG-CD1 4.17Å; L350-L354 HydrophobicContact CB-CD1 3.93Å; L350-L354 HydrophobicContact CB-CG 4.15Å; L350-L354 HydrophobicContact CD2-CG 4.46Å; L350-L354 WeakPolarHBondContact O-CB 3.37Å; L350-L354 WeakPolarHBondContact O-CD1 3.26Å; L350-L354 WeakPolarHBondContact O-CG 3.29Å; L350-L354 PolarHBondContact O-N 3.12Å; L354-L428 HydrophobicContact CD1-CD1 4.44Å; L354-L428 HydrophobicContact CD2-CB 3.98Å; L354-L428 HydrophobicContact CD2-CD1 4.39Å; L354-V430 HydrophobicContact CD2-CG2 3.41Å; L354-V430 VanDerWaalsContact CD2-CG2 3.41Å; L354-V430 HydrophobicContact CG-CG2 4.27Å | ||
| 355 | I | 95 | Very high | 90.2 | Very high | 39 Ų | 39 | 40.4 Ų | 40.4 | 20% | 0.2 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 133.6 | 177.4 | -61.7 | 168.1 | 0 | 0 | 0 | 108.3 | V353 L428 R429 D431 | V353-I355 PolarHBondContact O-N 3.12Å; I355-L428 CarbonylContact O-C 3.54Å; I355-L428 WeakPolarHBondContact O-CA 3.38Å; I355-R429 HydrophobicContact CB-CB 4.35Å; I355-R429 PolarHBondContact N-O 2.96Å; I355-R429 PolarHBondContact O-N 3.4Å; I355-D431 VanDerWaalsContact CD1-OD2 3.32Å; I355-D431 WeakPolarHBondContact CD1-OD2 3.36Å |
| 356 | F | 94.2 | Very high | 90.6 | Very high | 19 Ų | 19 | 40.4 Ų | 40.4 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 125.4 | 169.9 | 176.1 | -94.5 | 0 | 0 | 0 | 109.9 | R311 L314 R315 L380 H426 | R311-F356 HydrophobicContact CB-CE2 4.39Å; R311-F356 HydrophobicContact CG-CD2 4.08Å; R311-F356 HydrophobicContact CG-CE2 3.64Å; R311-F356 HydrophobicContact CG-CZ 4.19Å; L314-F356 HydrophobicContact CB-CB 3.58Å; L314-F356 HydrophobicContact CD1-CB 4.34Å; R315-F356 HydrophobicContact CG-CD1 4.29Å; F356-L380 HydrophobicContact CD2-CD1 4.09Å; F356-L380 HydrophobicContact CE2-CD1 4.13Å; F356-H426 HydrophobicContact CE2-CB 3.84Å; F356-H426 HydrophobicContact CZ-CB 4.01Å; F356-H426 AromaticContact CZ-CG 3.83Å |
| 357 | E | 93.2 | Very high | 90.7 | Very high | 33 Ų | 33 | 40 Ų | 40 | 15% | 0.154 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.1 | 179.6 | -167.2 | 175.2 | 132.7 | 0 | 0 | 109.9 | H359 H426 F427 R429 | E357-H359 IonicContact OE1-CD2 3.32Å; E357-H359 IonicContact OE1-CE1 2.88Å; E357-H359 IonicContact OE1-NE2 2.82Å; E357-H359 PolarHBondContact OE1-NE2 2.84Å; E357-H426 CarbonylContact O-C 3.46Å; E357-H426 WeakPolarHBondContact O-CA 3.42Å; E357-F427 PolarHBondContact N-O 3.17Å; E357-F427 PolarHBondContact O-N 3.45Å; E357-R429 VanDerWaalsContact OE2-CD 3.32Å; E357-R429 WeakPolarHBondContact OE2-CD 3.48Å; E357-R429 IonicContact OE2-CZ 3.79Å; E357-R429 IonicContact OE2-NE 2.77Å; E357-R429 IonicContact OE2-NH1 3.45Å; E357-R429 PolarHBondContact OE2-NH1 2.84Å |
| 358 | S | 91.3 | Very high | 90.2 | Very high | 57 Ų | 57 | 42 Ų | 42 | 40% | 0.399 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 139.7 | -178.7 | 64.3 | 0 | 0 | 0 | 0 | 111.7 | C425 | S358-C425 WeakPolarHBondContact CA-O 3.38Å |
| 359 | H | 90.3 | Very high | 89.6 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 22% | 0.222 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.4 | -177.2 | -70.1 | -83.6 | 0 | 0 | 0 | 110.2 | E357 L366 L420 N424 C425 F427 | E357-H359 IonicContact OE1-CD2 3.32Å; E357-H359 IonicContact OE1-CE1 2.88Å; E357-H359 IonicContact OE1-NE2 2.82Å; E357-H359 PolarHBondContact OE1-NE2 2.84Å; H359-L366 VanDerWaalsContact NE2-CD1 3.29Å; H359-L366 WeakPolarHBondContact NE2-CD1 3.12Å; H359-L420 HydrophobicContact CB-CD2 3.37Å; H359-N424 CarbonylContact O-C 3.57Å; H359-N424 WeakPolarHBondContact O-CA 3.37Å; H359-N424 PolarHBondContact O-N 3.12Å; H359-C425 PolarHBondContact N-O 3.23Å; H359-C425 PolarHBondContact O-N 2.92Å; H359-F427 AromaticContact CD2-CE2 3.87Å |
| 360 | A | 84.6 | Confident | 88.7 | Confident | 64 Ų | 64 | 36.6 Ų | 36.6 | 53% | 0.529 | 23% | 0.225 | S | C | . | . | trans | -79.8 | -35.3 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | D423 N424 | A360-D423 CarbonylContact O-C 3.58Å; A360-D423 VanDerWaalsContact O-CA 3.23Å; A360-D423 WeakPolarHBondContact O-CA 3.35Å; A360-D423 VanDerWaalsContact O-CB 3.23Å; A360-D423 WeakPolarHBondContact O-CB 3.46Å; A360-N424 PolarHBondContact O-N 3.1Å | ||
| 361 | K | 87.3 | Confident | 87.9 | Confident | 147 Ų | 147 | 40.1 Ų | 40.1 | 64% | 0.639 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -111.7 | 134.3 | -169 | -63.1 | -173.4 | 178.2 | -172.4 | 0 | 112.9 | T364 D423 | K361-T364 WeakPolarHBondContact O-CB 3.5Å; K361-T364 PolarHBondContact O-OG1 3.36Å; K361-D423 WeakPolarHBondContact CA-OD1 3.4Å |
| 362 | G | 87.5 | Confident | 87.1 | Confident | 6 Ų | 6 | 46 Ų | 46 | 6% | 0.062 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 151.6 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | T364 D423 | G362-T364 VanDerWaalsContact C-N 3.25Å; G362-T364 PolarHBondContact O-N 3.25Å; G362-D423 PolarHBondContact N-OD1 3.02Å |
| 363 | G | 86.1 | Confident | 86.3 | Confident | 24 Ų | 24 | 45 Ų | 45 | 25% | 0.247 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -8.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E166 V365 V419 L420 | E166-G363 WeakPolarHBondContact OE1-CA 3.41Å; G363-V365 PolarHBondContact O-N 2.95Å; G363-V419 WeakPolarHBondContact O-CG1 3.48Å; G363-L420 PolarHBondContact N-O 2.9Å |
| 364 | T | 90.9 | Very high | 85.9 | Confident | 47 Ų | 47 | 48.2 Ų | 48.2 | 29% | 0.288 | 28% | 0.278 | S | S | . | . | trans | -61.6 | 126.4 | 173.6 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | K361 G362 L420 | K361-T364 WeakPolarHBondContact O-CB 3.5Å; K361-T364 PolarHBondContact O-OG1 3.36Å; G362-T364 VanDerWaalsContact C-N 3.25Å; G362-T364 PolarHBondContact O-N 3.25Å; T364-L420 WeakPolarHBondContact O-CD1 3.44Å; T364-L420 PolarHBondContact O-N 2.85Å | ||
| 365 | V | 92.2 | Very high | 85.7 | Confident | 71 Ų | 71 | 48.4 Ų | 48.4 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 122.1 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 108.9 | G363 N368 V419 | G363-V365 PolarHBondContact O-N 2.95Å; V365-N368 WeakPolarHBondContact CG1-OD1 3.34Å; V365-V419 HydrophobicContact CG2-CG1 4.49Å; V365-V419 HydrophobicContact CG2-CG2 4.17Å |
| 366 | L | 89.9 | Confident | 85.5 | Confident | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | -40.1 | -179.4 | -154.5 | 71.8 | 0 | 0 | 0 | 111.8 | H359 Y377 F403 I418 L420 | H359-L366 VanDerWaalsContact NE2-CD1 3.29Å; H359-L366 WeakPolarHBondContact NE2-CD1 3.12Å; L366-Y377 HydrophobicContact CD2-CD1 3.84Å; L366-Y377 HydrophobicContact CD2-CD2 4.41Å; L366-Y377 HydrophobicContact CD2-CE1 3.75Å; L366-Y377 HydrophobicContact CD2-CE2 4.35Å; L366-Y377 HydrophobicContact CD2-CG 4.17Å; L366-Y377 HydrophobicContact CG-CE1 4.29Å; L366-F403 HydrophobicContact CD2-CE2 3.76Å; L366-F403 HydrophobicContact CD2-CZ 3.66Å; L366-I418 HydrophobicContact CB-CB 4.2Å; L366-I418 HydrophobicContact CB-CG2 3.98Å; L366-I418 HydrophobicContact CD2-CG2 4.15Å; L366-I418 PolarHBondContact N-O 3.44Å; L366-L420 HydrophobicContact CB-CD1 4.48Å; L366-L420 HydrophobicContact CD1-CD1 4.32Å |
| 367 | F | 88.4 | Confident | 85.3 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 161.5 | 168.9 | 54.9 | -105.1 | 0 | 0 | 0 | 110.2 | E371 Y377 F403 R414 A416 S417 I418 | F367-E371 WeakPolarHBondContact CA-OE2 3.46Å; F367-E371 WeakPolarHBondContact CB-OE2 3.34Å; F367-Y377 HydrophobicContact CD1-CE2 4.08Å; F367-Y377 HydrophobicContact CE1-CD2 4.07Å; F367-Y377 AromaticContact CE1-CE2 3.87Å; F367-Y377 HydrophobicContact CE1-CE2 3.87Å; F367-F403 AromaticContact CE1-CD2 3.97Å; F367-F403 HydrophobicContact CE1-CD2 3.97Å; F367-F403 AromaticContact CE1-CE2 3.75Å; F367-F403 HydrophobicContact CE1-CE2 3.75Å; F367-F403 AromaticContact CZ-CD2 3.92Å; F367-F403 HydrophobicContact CZ-CD2 3.92Å; F367-F403 HydrophobicContact CZ-CE2 4.12Å; F367-R414 HydrophobicContact CD2-CB 4.27Å; F367-R414 HydrophobicContact CD2-CG 3.76Å; F367-R414 HydrophobicContact CE2-CB 4.39Å; F367-R414 HydrophobicContact CE2-CG 4.04Å; F367-R414 HydrophobicContact CG-CG 4.45Å; F367-A416 VanDerWaalsContact CE2-O 3.31Å; F367-A416 WeakPolarHBondContact CE2-O 3.26Å; F367-S417 WeakPolarHBondContact O-CA 3.49Å; F367-I418 HydrophobicContact CD2-CG1 4.31Å; F367-I418 HydrophobicContact CE1-CB 4.25Å; F367-I418 HydrophobicContact CE1-CG1 3.83Å; F367-I418 HydrophobicContact CE2-CB 4.24Å; F367-I418 HydrophobicContact CE2-CG1 3.5Å; F367-I418 HydrophobicContact CZ-CB 4.07Å; F367-I418 HydrophobicContact CZ-CD1 4.38Å; F367-I418 HydrophobicContact CZ-CG1 3.23Å; F367-I418 PolarHBondContact O-N 3.45Å; F367-I418 VanDerWaalsContact O-N 3.08Å |
| 368 | N | 79.1 | Confident | 85.3 | Confident | 60 Ų | 60 | 45.2 Ų | 45.2 | 32% | 0.321 | 26% | 0.263 | S | S | . | . | trans | -103.3 | 150.6 | 179.7 | -60.4 | -72 | 0 | 0 | 0 | 113.1 | V365 G370 E371 R414 S417 | V365-N368 WeakPolarHBondContact CG1-OD1 3.34Å; N368-G370 PolarHBondContact O-N 3.33Å; N368-E371 HydrophobicContact CB-CG 3.99Å; N368-E371 WeakPolarHBondContact CB-OE1 3.35Å; N368-E371 VanDerWaalsContact N-CD 3.28Å; N368-E371 PolarHBondContact N-OE2 3.46Å; N368-E371 PolarHBondContact ND2-OE1 2.95Å; N368-E371 WeakPolarHBondContact O-CB 3.37Å; N368-E371 PolarHBondContact O-N 3.32Å; N368-R414 WeakPolarHBondContact O-CB 3.22Å; N368-S417 WeakPolarHBondContact CA-OG 3.48Å | ||
| 369 | Q | 74.8 | Confident | 85.2 | Confident | 31 Ų | 31 | 42.5 Ų | 42.5 | 15% | 0.145 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 134.4 | 166.2 | -176.3 | 176.5 | -0.5 | 0 | 0 | 110 | Y389 R414 A415 S417 | Q369-Y389 HydrophobicContact CB-CD2 4.13Å; Q369-Y389 HydrophobicContact CB-CE2 3.84Å; Q369-Y389 HydrophobicContact CG-CD2 4.24Å; Q369-Y389 HydrophobicContact CG-CE2 4.34Å; Q369-R414 CarbonylContact C-O 3.52Å; Q369-R414 WeakPolarHBondContact CA-O 3.46Å; Q369-R414 WeakPolarHBondContact CG-O 3.42Å; Q369-A415 PolarHBondContact NE2-O 2.93Å; Q369-S417 PolarHBondContact N-OG 2.84Å |
| 370 | G | 71.5 | Confident | 85.1 | Confident | 52 Ų | 52 | 41.4 Ų | 41.4 | 54% | 0.536 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -11.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | N368 R414 | N368-G370 PolarHBondContact O-N 3.33Å; G370-R414 PolarHBondContact N-O 3.11Å |
| 371 | E | 75.4 | Confident | 85.3 | Confident | 79 Ų | 79 | 43.1 Ų | 43.1 | 37% | 0.369 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -71.7 | 162.9 | 174.1 | -69.7 | 177.1 | 174.6 | 0 | 0 | 112.1 | F367 N368 P413 R414 | F367-E371 WeakPolarHBondContact CA-OE2 3.46Å; F367-E371 WeakPolarHBondContact CB-OE2 3.34Å; N368-E371 HydrophobicContact CB-CG 3.99Å; N368-E371 WeakPolarHBondContact CB-OE1 3.35Å; N368-E371 VanDerWaalsContact N-CD 3.28Å; N368-E371 PolarHBondContact N-OE2 3.46Å; N368-E371 PolarHBondContact ND2-OE1 2.95Å; N368-E371 WeakPolarHBondContact O-CB 3.37Å; N368-E371 PolarHBondContact O-N 3.32Å; E371-P413 CarbonylContact O-C 3.59Å; E371-P413 VanDerWaalsContact O-CA 3.28Å; E371-P413 WeakPolarHBondContact O-CA 3.22Å; E371-R414 HydrophobicContact CB-CG 4.3Å; E371-R414 WeakPolarHBondContact O-CG 3.27Å; E371-R414 PolarHBondContact O-N 3.21Å |
| 372 | E | 75.4 | Confident | 85.3 | Confident | 125 Ų | 125 | 36.5 Ų | 36.5 | 58% | 0.584 | 21% | 0.208 | S | C | * | . | B | Isolated β-bridge | trans | -66.6 | 140.2 | 173 | -168.4 | -176.7 | 163.2 | 0 | 0 | 111.2 | T374 K432 | E372-T374 PolarHBondContact O-N 2.77Å; E372-T374 VanDerWaalsContact O-N 3.13Å; E372-K432 IonicContact OE1-NZ 3.67Å; E372-K432 PolarHBondContact OE1-NZ 3.27Å |
| 373 | G | 75.7 | Confident | 85.3 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -71.6 | 98.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | A407 L408 K432 | G373-A407 VanDerWaalsContact CA-CB 3.47Å; G373-L408 WeakPolarHBondContact O-CD2 3.29Å; G373-K432 WeakPolarHBondContact O-CD 3.49Å | ||
| 374 | T | 87.4 | Confident | 85.4 | Confident | 72 Ų | 72 | 35.2 Ų | 35.2 | 44% | 0.442 | 20% | 0.195 | S | C | . | . | trans | -96.9 | -30.3 | -178.7 | 52.6 | 0 | 0 | 0 | 0 | 114.9 | E372 K432 | E372-T374 PolarHBondContact O-N 2.77Å; E372-T374 VanDerWaalsContact O-N 3.13Å; T374-K432 WeakPolarHBondContact O-CB 3.25Å; T374-K432 PolarHBondContact O-N 3Å | ||
| 375 | S | 89.6 | Confident | 85 | Confident | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.028 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 157.5 | -173.6 | -47 | 0 | 0 | 0 | 0 | 114.6 | R414 R429 V430 D431 | S375-R414 VanDerWaalsContact N-NH2 3.18Å; S375-R414 PolarHBondContact O-NH1 3.16Å; S375-R414 PolarHBondContact O-NH2 2.94Å; S375-R429 VanDerWaalsContact CB-CG 3.46Å; S375-R429 WeakPolarHBondContact OG-CD 3.47Å; S375-V430 CarbonylContact C-O 3.59Å; S375-V430 VanDerWaalsContact CA-O 3.28Å; S375-V430 WeakPolarHBondContact CA-O 3.28Å; S375-D431 PolarHBondContact OG-OD1 3.05Å |
| 376 | W | 90.4 | Very high | 84.5 | Confident | 9 Ų | 9 | 29.7 Ų | 29.7 | 3% | 0.034 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 139.1 | 168.5 | 170.7 | 51.8 | 0 | 0 | 0 | 109.3 | L339 L342 I378 D402 F403 K405 L408 R429 V430 | L339-W376 HydrophobicContact CD2-CH2 3.55Å; L339-W376 HydrophobicContact CD2-CZ2 4.48Å; L339-W376 HydrophobicContact CD2-CZ3 4.11Å; L342-W376 HydrophobicContact CD1-CH2 4.36Å; W376-I378 HydrophobicContact CH2-CD1 3.84Å; W376-I378 HydrophobicContact CH2-CG1 4.4Å; W376-I378 HydrophobicContact CZ2-CD1 3.91Å; W376-I378 HydrophobicContact CZ2-CG1 3.99Å; W376-I378 HydrophobicContact CZ3-CD1 4.31Å; W376-D402 HydrophobicContact CZ2-CB 4.36Å; W376-D402 PolarHBondContact NE1-OD2 3.4Å; W376-F403 VanDerWaalsContact CD1-O 3.22Å; W376-K405 HydrophobicContact CG-CB 4.29Å; W376-L408 HydrophobicContact CB-CD1 3.63Å; W376-R429 CarbonylContact O-C 3.46Å; W376-R429 WeakPolarHBondContact O-CA 3.39Å; W376-V430 HydrophobicContact CE3-CB 4.18Å; W376-V430 HydrophobicContact CE3-CG2 3.88Å; W376-V430 HydrophobicContact CZ3-CG2 4.27Å; W376-V430 PolarHBondContact N-O 2.93Å; W376-V430 PolarHBondContact O-N 3.11Å |
| 377 | Y | 90.9 | Very high | 83.8 | Confident | 12 Ų | 12 | 29.8 Ų | 29.8 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 144.6 | -172.8 | -63.6 | -96.7 | 0 | 0 | 0 | 112.1 | L366 F367 D402 F403 F427 L428 R429 | L366-Y377 HydrophobicContact CD2-CD1 3.84Å; L366-Y377 HydrophobicContact CD2-CD2 4.41Å; L366-Y377 HydrophobicContact CD2-CE1 3.75Å; L366-Y377 HydrophobicContact CD2-CE2 4.35Å; L366-Y377 HydrophobicContact CD2-CG 4.17Å; L366-Y377 HydrophobicContact CG-CE1 4.29Å; F367-Y377 HydrophobicContact CD1-CE2 4.08Å; F367-Y377 HydrophobicContact CE1-CD2 4.07Å; F367-Y377 AromaticContact CE1-CE2 3.87Å; F367-Y377 HydrophobicContact CE1-CE2 3.87Å; Y377-D402 VanDerWaalsContact O-CA 3.29Å; Y377-D402 WeakPolarHBondContact O-CA 3.38Å; Y377-D402 WeakPolarHBondContact O-CB 3.26Å; Y377-F403 VanDerWaalsContact CB-CZ 3.44Å; Y377-F403 HydrophobicContact CD2-CD2 4.24Å; Y377-F403 AromaticContact CD2-CE2 3.71Å; Y377-F403 HydrophobicContact CD2-CE2 3.71Å; Y377-F403 HydrophobicContact CD2-CZ 4.36Å; Y377-F403 HydrophobicContact CG-CD2 4.47Å; Y377-F403 AromaticContact CG-CE2 3.73Å; Y377-F403 HydrophobicContact CG-CE2 3.73Å; Y377-F403 AromaticContact CG-CZ 3.9Å; Y377-F403 HydrophobicContact CG-CZ 3.9Å; Y377-F403 PolarHBondContact N-O 3Å; Y377-F403 PolarHBondContact O-N 3.37Å; Y377-F427 HydrophobicContact CD1-CB 4.2Å; Y377-L428 CarbonylContact C-O 3.58Å; Y377-L428 VanDerWaalsContact CA-O 3.29Å; Y377-L428 WeakPolarHBondContact CA-O 3.43Å; Y377-R429 HydrophobicContact CD1-CB 4.1Å; Y377-R429 HydrophobicContact CD1-CG 3.92Å; Y377-R429 HydrophobicContact CE1-CB 4.07Å; Y377-R429 VanDerWaalsContact CE1-CD 3.46Å; Y377-R429 HydrophobicContact CE1-CG 3.57Å; Y377-R429 HydrophobicContact CE2-CG 4.48Å |
| 378 | I | 92.1 | Very high | 82.9 | Confident | 2 Ų | 2 | 29.6 Ų | 29.6 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 132.7 | 170.6 | -57.1 | 167 | 0 | 0 | 0 | 108 | I336 A338 L339 W376 L380 D402 F427 L428 | I336-I378 HydrophobicContact CG2-CG2 4.11Å; A338-I378 HydrophobicContact CB-CD1 4.08Å; A338-I378 HydrophobicContact CB-CG1 4.12Å; A338-I378 HydrophobicContact CB-CG2 3.87Å; L339-I378 HydrophobicContact CD1-CD1 4.45Å; L339-I378 HydrophobicContact CD2-CD1 3.43Å; L339-I378 VanDerWaalsContact CD2-CD1 3.43Å; L339-I378 HydrophobicContact CG-CD1 3.93Å; W376-I378 HydrophobicContact CH2-CD1 3.84Å; W376-I378 HydrophobicContact CH2-CG1 4.4Å; W376-I378 HydrophobicContact CZ2-CD1 3.91Å; W376-I378 HydrophobicContact CZ2-CG1 3.99Å; W376-I378 HydrophobicContact CZ3-CD1 4.31Å; I378-L380 PolarHBondContact O-N 3.41Å; I378-D402 HydrophobicContact CG1-CB 3.97Å; I378-F427 CarbonylContact O-C 3Å; I378-F427 VanDerWaalsContact O-CA 3.22Å; I378-F427 WeakPolarHBondContact O-CA 3.46Å; I378-L428 HydrophobicContact CB-CB 4.27Å; I378-L428 PolarHBondContact N-O 3.39Å; I378-L428 PolarHBondContact O-N 3Å |
| 379 | I | 89.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.1 | -177.9 | -50 | 180 | 0 | 0 | 0 | 109.5 | V384 L397 E399 G400 D401 F403 F427 | I379-V384 HydrophobicContact CD1-CG1 4.5Å; I379-V384 HydrophobicContact CD1-CG2 3.74Å; I379-L397 HydrophobicContact CD1-CB 3.63Å; I379-E399 WeakPolarHBondContact O-CA 3.22Å; I379-G400 PolarHBondContact O-N 2.73Å; I379-D401 HydrophobicContact CD1-CB 4.48Å; I379-D401 PolarHBondContact N-O 3.27Å; I379-F403 HydrophobicContact CD1-CD1 4.29Å; I379-F403 HydrophobicContact CD1-CE1 3.94Å; I379-F403 HydrophobicContact CG1-CD1 4.25Å; I379-F403 HydrophobicContact CG1-CE1 3.72Å; I379-F427 HydrophobicContact CB-CD1 4.45Å; I379-F427 HydrophobicContact CB-CE1 4.5Å; I379-F427 HydrophobicContact CG1-CD1 4.04Å; I379-F427 HydrophobicContact CG1-CE1 3.91Å; I379-F427 HydrophobicContact CG2-CE1 4.31Å |
| 380 | L | 88.3 | Confident | 82.1 | Confident | 24 Ų | 24 | 36.5 Ų | 36.5 | 13% | 0.126 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -32.5 | 172.3 | -67.1 | -175.7 | 0 | 0 | 0 | 112.8 | M310 I336 F356 I378 E399 H426 L428 | M310-L380 HydrophobicContact CE-CD1 4.42Å; I336-L380 HydrophobicContact CD1-CD2 4.2Å; F356-L380 HydrophobicContact CD2-CD1 4.09Å; F356-L380 HydrophobicContact CE2-CD1 4.13Å; I378-L380 PolarHBondContact O-N 3.41Å; L380-E399 VanDerWaalsContact O-CG 3.26Å; L380-E399 WeakPolarHBondContact O-CG 3.4Å; L380-H426 HydrophobicContact CB-CB 4.08Å; L380-H426 PolarHBondContact N-O 3.47Å; L380-L428 HydrophobicContact CD1-CD1 4.44Å; L380-L428 HydrophobicContact CD1-CD2 3.72Å; L380-L428 HydrophobicContact CD1-CG 3.7Å; L380-L428 HydrophobicContact CD2-CD1 3.98Å; L380-L428 HydrophobicContact CD2-CG 3.94Å; L380-L428 HydrophobicContact CG-CD1 4.43Å; L380-L428 HydrophobicContact CG-CD2 4.41Å; L380-L428 HydrophobicContact CG-CG 3.83Å |
| 381 | K | 87.9 | Confident | 81.9 | Confident | 101 Ų | 101 | 37 Ų | 37 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 143.6 | 178.6 | -172.5 | -176.4 | 175.5 | -177.5 | 0 | 109.4 | C425 H426 | K381-C425 CarbonylContact O-C 3.6Å; K381-C425 VanDerWaalsContact O-CA 3.26Å; K381-C425 WeakPolarHBondContact O-CA 3.18Å; K381-H426 HydrophobicContact CB-CB 3.8Å; K381-H426 PolarHBondContact N-O 3.08Å; K381-H426 VanDerWaalsContact N-O 3.16Å; K381-H426 PolarHBondContact O-N 2.69Å |
| 382 | G | 88.4 | Confident | 81.8 | Confident | 7 Ų | 7 | 35 Ų | 35 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 90.4 | -160.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E399 E422 | G382-E399 PolarHBondContact O-N 3.2Å; G382-E422 WeakPolarHBondContact CA-OE1 3.34Å |
| 383 | S | 87.5 | Confident | 81.8 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.028 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 155.1 | -177.6 | 51.6 | 0 | 0 | 0 | 0 | 111.5 | L397 R421 E422 | S383-L397 CarbonylContact C-O 3.57Å; S383-L397 WeakPolarHBondContact CA-O 3.46Å; S383-L397 WeakPolarHBondContact CB-O 3.17Å; S383-R421 WeakPolarHBondContact O-CB 3.28Å; S383-R421 PolarHBondContact O-N 3.24Å; S383-E422 WeakPolarHBondContact CB-OE1 3.32Å; S383-E422 PolarHBondContact N-OE1 3.34Å; S383-E422 PolarHBondContact OG-OE1 2.66Å |
| 384 | V | 87.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 147.7 | -179.6 | -56.4 | 0 | 0 | 0 | 0 | 111 | I379 T396 L397 F403 I418 V419 L420 F427 | I379-V384 HydrophobicContact CD1-CG1 4.5Å; I379-V384 HydrophobicContact CD1-CG2 3.74Å; V384-T396 CarbonylContact O-C 3.59Å; V384-T396 WeakPolarHBondContact O-CA 3.32Å; V384-L397 HydrophobicContact CG2-CB 3.85Å; V384-L397 HydrophobicContact CG2-CD1 4.15Å; V384-L397 HydrophobicContact CG2-CG 4.34Å; V384-L397 PolarHBondContact N-O 2.86Å; V384-L397 PolarHBondContact O-N 3.3Å; V384-F403 HydrophobicContact CG2-CD1 4.4Å; V384-F403 HydrophobicContact CG2-CE1 4Å; V384-F403 HydrophobicContact CG2-CZ 4.49Å; V384-I418 HydrophobicContact CB-CG2 3.85Å; V384-I418 HydrophobicContact CG1-CG2 4.11Å; V384-I418 HydrophobicContact CG2-CG2 3.9Å; V384-V419 CarbonylContact C-O 3.51Å; V384-V419 WeakPolarHBondContact CA-O 3.38Å; V384-L420 HydrophobicContact CG1-CD1 4.13Å; V384-L420 HydrophobicContact CG1-CG 4.27Å; V384-F427 HydrophobicContact CG1-CE1 3.74Å; V384-F427 HydrophobicContact CG1-CZ 3.65Å |
| 385 | N | 82.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 134.8 | 171.4 | -62.3 | -43 | 0 | 0 | 0 | 109.8 | M165 V387 V393 T396 V419 R421 | M165-N385 PolarHBondContact O-ND2 3.38Å; N385-V387 HydrophobicContact CB-CG2 4.34Å; N385-V393 HydrophobicContact CB-CG1 4.04Å; N385-V393 HydrophobicContact CB-CG2 4.31Å; N385-T396 PolarHBondContact OD1-OG1 3.35Å; N385-V419 PolarHBondContact N-O 2.91Å; N385-V419 PolarHBondContact O-N 2.88Å; N385-V419 VanDerWaalsContact O-N 3.08Å; N385-R421 PolarHBondContact OD1-NH1 3.19Å; N385-R421 VanDerWaalsContact OD1-NH1 3.15Å |
| 386 | V | 80.4 | Confident | 80.6 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.012 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115 | 171.2 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | I104 V393 V394 C395 L397 A416 I418 | I104-V386 HydrophobicContact CD1-CG1 4.09Å; V386-V393 CarbonylContact O-C 3.55Å; V386-V393 WeakPolarHBondContact O-CA 3.36Å; V386-V394 PolarHBondContact O-N 3.46Å; V386-C395 PolarHBondContact N-O 2.88Å; V386-L397 HydrophobicContact CG2-CD1 3.76Å; V386-L397 HydrophobicContact CG2-CD2 4.49Å; V386-L397 HydrophobicContact CG2-CG 3.81Å; V386-A416 HydrophobicContact CG1-CB 3.73Å; V386-I418 HydrophobicContact CB-CD1 4.25Å; V386-I418 HydrophobicContact CG1-CD1 4.16Å; V386-I418 HydrophobicContact CG2-CD1 3.82Å |
| 387 | V | 75.3 | Confident | 80.3 | Confident | 26 Ų | 26 | 27.4 Ų | 27.4 | 16% | 0.158 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 128.9 | -172.3 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | N385 G392 V393 A416 S417 V419 | N385-V387 HydrophobicContact CB-CG2 4.34Å; V387-G392 WeakPolarHBondContact CA-O 3.31Å; V387-V393 HydrophobicContact CG2-CG2 4.2Å; V387-A416 CarbonylContact O-C 3.14Å; V387-A416 WeakPolarHBondContact O-CA 3.47Å; V387-S417 PolarHBondContact N-O 3.48Å; V387-S417 PolarHBondContact O-N 3.34Å; V387-V419 HydrophobicContact CG2-CG2 4.22Å |
| 388 | I | 70.3 | Confident | 80 | Confident | 11 Ų | 11 | 28 Ų | 28 | 6% | 0.056 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 131.8 | 174 | -63.2 | 178.3 | 0 | 0 | 0 | 109 | V92 I104 G390 K391 G392 V394 A416 | V92-I388 HydrophobicContact CB-CD1 4.33Å; V92-I388 HydrophobicContact CG1-CD1 4Å; V92-I388 HydrophobicContact CG2-CD1 4Å; I104-I388 HydrophobicContact CD1-CD1 4.31Å; I388-G390 PolarHBondContact O-N 3.38Å; I388-K391 HydrophobicContact CB-CB 4.2Å; I388-K391 HydrophobicContact CB-CD 4.44Å; I388-K391 HydrophobicContact CG2-CB 4.38Å; I388-K391 HydrophobicContact CG2-CD 4.1Å; I388-K391 HydrophobicContact CG2-CG 4.32Å; I388-K391 PolarHBondContact O-N 3.21Å; I388-G392 PolarHBondContact N-O 2.92Å; I388-G392 PolarHBondContact O-N 3.22Å; I388-V394 HydrophobicContact CB-CG2 3.94Å; I388-V394 HydrophobicContact CD1-CG2 3.67Å; I388-V394 HydrophobicContact CG1-CG2 3.79Å; I388-A416 HydrophobicContact CD1-CB 4.41Å; I388-A416 HydrophobicContact CG1-CB 3.75Å |
| 389 | Y | 70.5 | Confident | 79.8 | Confident | 144 Ų | 144 | 32.7 Ų | 32.7 | 57% | 0.565 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 130.8 | 177.6 | -62.5 | -29.3 | 0 | 0 | 0 | 111.1 | Q369 K391 | Q369-Y389 HydrophobicContact CB-CD2 4.13Å; Q369-Y389 HydrophobicContact CB-CE2 3.84Å; Q369-Y389 HydrophobicContact CG-CD2 4.24Å; Q369-Y389 HydrophobicContact CG-CE2 4.34Å; Y389-K391 PolarHBondContact O-N 3.32Å |
| 390 | G | 67.6 | Low | 79.5 | Confident | 91 Ų | 91 | 34 Ų | 34 | 94% | 0.938 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 80.2 | -13.5 | -175 | 0 | 0 | 0 | 0 | 0 | 115.5 | I388 | I388-G390 PolarHBondContact O-N 3.38Š|
| 391 | K | 65.9 | Low | 79.2 | Confident | 64 Ų | 64 | 33 Ų | 33 | 28% | 0.278 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.3 | -18.7 | 176.6 | -62 | -177 | 178.6 | -179.8 | 0 | 113.9 | V92 H124 I388 Y389 V394 | V92-K391 VanDerWaalsContact CG1-NZ 3.31Å; H124-K391 PolarHBondContact O-NZ 3.42Å; I388-K391 HydrophobicContact CB-CB 4.2Å; I388-K391 HydrophobicContact CB-CD 4.44Å; I388-K391 HydrophobicContact CG2-CB 4.38Å; I388-K391 HydrophobicContact CG2-CD 4.1Å; I388-K391 HydrophobicContact CG2-CG 4.32Å; I388-K391 PolarHBondContact O-N 3.21Å; Y389-K391 PolarHBondContact O-N 3.32Å; K391-V394 HydrophobicContact CB-CG2 4.23Å |
| 392 | G | 74.4 | Confident | 79.1 | Confident | 35 Ų | 35 | 28.9 Ų | 28.9 | 36% | 0.361 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.1 | -146.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V387 I388 V394 | V387-G392 WeakPolarHBondContact CA-O 3.31Å; I388-G392 PolarHBondContact N-O 2.92Å; I388-G392 PolarHBondContact O-N 3.22Å; G392-V394 PolarHBondContact O-N 3.41Å |
| 393 | V | 73.9 | Confident | 79 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 10% | 0.103 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 113.7 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 109.2 | A159 P160 N385 V386 V387 | A159-V393 HydrophobicContact CB-CB 4.29Å; A159-V393 HydrophobicContact CB-CG1 3.78Å; P160-V393 HydrophobicContact CG-CG2 4.25Å; N385-V393 HydrophobicContact CB-CG1 4.04Å; N385-V393 HydrophobicContact CB-CG2 4.31Å; V386-V393 CarbonylContact O-C 3.55Å; V386-V393 WeakPolarHBondContact O-CA 3.36Å; V387-V393 HydrophobicContact CG2-CG2 4.2Å |
| 394 | V | 72.2 | Confident | 78.5 | Confident | 18 Ų | 18 | 29 Ų | 29 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | -41.7 | -178.7 | 174 | 0 | 0 | 0 | 0 | 111.3 | I104 H124 A125 V386 I388 K391 G392 | I104-V394 HydrophobicContact CD1-CG1 4.46Å; H124-V394 HydrophobicContact CB-CG1 3.97Å; H124-V394 HydrophobicContact CB-CG2 4.41Å; A125-V394 HydrophobicContact CB-CG1 4.28Å; V386-V394 PolarHBondContact O-N 3.46Å; I388-V394 HydrophobicContact CB-CG2 3.94Å; I388-V394 HydrophobicContact CD1-CG2 3.67Å; I388-V394 HydrophobicContact CG1-CG2 3.79Å; K391-V394 HydrophobicContact CB-CG2 4.23Å; G392-V394 PolarHBondContact O-N 3.41Å |
| 395 | C | 76.9 | Confident | 77.7 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 168.7 | 175.6 | 60.5 | 0 | 0 | 0 | 0 | 110.9 | C105 V386 | C105-C395 VanDerWaalsContact SG-SG 3.68Å; V386-C395 PolarHBondContact N-O 2.88Å |
| 396 | T | 79.7 | Confident | 76.8 | Confident | 6 Ų | 6 | 34.9 Ų | 34.9 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 131.7 | 175.2 | -54.8 | 0 | 0 | 0 | 0 | 109.4 | V384 N385 | V384-T396 CarbonylContact O-C 3.59Å; V384-T396 WeakPolarHBondContact O-CA 3.32Å; N385-T396 PolarHBondContact OD1-OG1 3.35Å |
| 397 | L | 82.7 | Confident | 75.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 147.5 | 177.6 | -54.2 | 177.3 | 0 | 0 | 0 | 110.3 | C105 L107 I379 S383 V384 V386 D401 F403 | C105-L397 HydrophobicContact CB-CD1 3.62Å; C105-L397 HydrophobicContact CB-CD2 3.89Å; C105-L397 HydrophobicContact CB-CG 4.34Å; L107-L397 HydrophobicContact CD2-CD2 3.64Å; I379-L397 HydrophobicContact CD1-CB 3.63Å; S383-L397 CarbonylContact C-O 3.57Å; S383-L397 WeakPolarHBondContact CA-O 3.46Å; S383-L397 WeakPolarHBondContact CB-O 3.17Å; V384-L397 HydrophobicContact CG2-CB 3.85Å; V384-L397 HydrophobicContact CG2-CD1 4.15Å; V384-L397 HydrophobicContact CG2-CG 4.34Å; V384-L397 PolarHBondContact N-O 2.86Å; V384-L397 PolarHBondContact O-N 3.3Å; V386-L397 HydrophobicContact CG2-CD1 3.76Å; V386-L397 HydrophobicContact CG2-CD2 4.49Å; V386-L397 HydrophobicContact CG2-CG 3.81Å; L397-D401 WeakPolarHBondContact CA-OD2 3.38Å; L397-D401 HydrophobicContact CB-CB 3.98Å; L397-D401 HydrophobicContact CD2-CB 4.29Å; L397-F403 HydrophobicContact CD1-CB 3.79Å; L397-F403 HydrophobicContact CD1-CD1 3.7Å; L397-F403 HydrophobicContact CD1-CG 4.04Å |
| 398 | H | 86.5 | Confident | 75.6 | Confident | 25 Ų | 25 | 34 Ų | 34 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 175.4 | -177.7 | -56.6 | 85.6 | 0 | 0 | 0 | 111.1 | T111 G400 D401 | T111-H398 PolarHBondContact OG1-ND1 2.94Å; H398-G400 PolarHBondContact O-N 3.03Å; H398-D401 PolarHBondContact N-OD2 2.89Å; H398-D401 WeakPolarHBondContact O-CB 3.49Å; H398-D401 PolarHBondContact O-N 3.3Å |
| 399 | E | 87 | Confident | 75.4 | Confident | 100 Ų | 100 | 37.6 Ų | 37.6 | 47% | 0.467 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.1 | 129.8 | 171.8 | -179.6 | -178.3 | 167.5 | 0 | 0 | 113.4 | K42 I379 L380 G382 | K42-E399 IonicContact NZ-OE2 2.99Å; K42-E399 PolarHBondContact NZ-OE2 3.13Å; I379-E399 WeakPolarHBondContact O-CA 3.22Å; L380-E399 VanDerWaalsContact O-CG 3.26Å; L380-E399 WeakPolarHBondContact O-CG 3.4Å; G382-E399 PolarHBondContact O-N 3.2Å |
| 400 | G | 83 | Confident | 75.1 | Confident | 28 Ų | 28 | 35.2 Ų | 35.2 | 29% | 0.289 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 94.3 | -19.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | I379 H398 | I379-G400 PolarHBondContact O-N 2.73Å; H398-G400 PolarHBondContact O-N 3.03Å |
| 401 | D | 83.1 | Confident | 75.2 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | trans | -77 | 157.5 | 174.9 | -62.3 | -22 | 0 | 0 | 0 | 111.3 | T106 G108 T111 I379 L397 H398 | T106-D401 WeakPolarHBondContact O-CB 3.48Å; G108-D401 WeakPolarHBondContact CA-OD1 3.27Å; G108-D401 PolarHBondContact N-OD1 3.31Å; T111-D401 PolarHBondContact OG1-OD2 2.87Å; I379-D401 HydrophobicContact CD1-CB 4.48Å; I379-D401 PolarHBondContact N-O 3.27Å; L397-D401 WeakPolarHBondContact CA-OD2 3.38Å; L397-D401 HydrophobicContact CB-CB 3.98Å; L397-D401 HydrophobicContact CD2-CB 4.29Å; H398-D401 PolarHBondContact N-OD2 2.89Å; H398-D401 WeakPolarHBondContact O-CB 3.49Å; H398-D401 PolarHBondContact O-N 3.3Å | ||
| 402 | D | 85.7 | Confident | 75.1 | Confident | 15 Ų | 15 | 35.1 Ų | 35.1 | 8% | 0.08 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 151.3 | 179.7 | 81.8 | -78.7 | 0 | 0 | 0 | 112.6 | T106 A338 W376 Y377 I378 | T106-D402 WeakPolarHBondContact CB-OD1 3.41Å; T106-D402 PolarHBondContact N-O 3.06Å; T106-D402 VanDerWaalsContact N-O 3.14Å; T106-D402 PolarHBondContact OG1-OD1 3.48Å; A338-D402 HydrophobicContact CB-CB 4.08Å; W376-D402 HydrophobicContact CZ2-CB 4.36Å; W376-D402 PolarHBondContact NE1-OD2 3.4Å; Y377-D402 VanDerWaalsContact O-CA 3.29Å; Y377-D402 WeakPolarHBondContact O-CA 3.38Å; Y377-D402 WeakPolarHBondContact O-CB 3.26Å; I378-D402 HydrophobicContact CG1-CB 3.97Å |
| 403 | F | 84.8 | Confident | 74.8 | Confident | 3 Ų | 3 | 37.5 Ų | 37.5 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 161.4 | -176.1 | 61.7 | -92.6 | 0 | 0 | 0 | 113.6 | C105 L366 F367 W376 Y377 I379 V384 L397 I418 F427 | C105-F403 HydrophobicContact CB-CB 4.07Å; L366-F403 HydrophobicContact CD2-CE2 3.76Å; L366-F403 HydrophobicContact CD2-CZ 3.66Å; F367-F403 AromaticContact CE1-CD2 3.97Å; F367-F403 HydrophobicContact CE1-CD2 3.97Å; F367-F403 AromaticContact CE1-CE2 3.75Å; F367-F403 HydrophobicContact CE1-CE2 3.75Å; F367-F403 AromaticContact CZ-CD2 3.92Å; F367-F403 HydrophobicContact CZ-CD2 3.92Å; F367-F403 HydrophobicContact CZ-CE2 4.12Å; W376-F403 VanDerWaalsContact CD1-O 3.22Å; Y377-F403 VanDerWaalsContact CB-CZ 3.44Å; Y377-F403 HydrophobicContact CD2-CD2 4.24Å; Y377-F403 AromaticContact CD2-CE2 3.71Å; Y377-F403 HydrophobicContact CD2-CE2 3.71Å; Y377-F403 HydrophobicContact CD2-CZ 4.36Å; Y377-F403 HydrophobicContact CG-CD2 4.47Å; Y377-F403 AromaticContact CG-CE2 3.73Å; Y377-F403 HydrophobicContact CG-CE2 3.73Å; Y377-F403 AromaticContact CG-CZ 3.9Å; Y377-F403 HydrophobicContact CG-CZ 3.9Å; Y377-F403 PolarHBondContact N-O 3Å; Y377-F403 PolarHBondContact O-N 3.37Å; I379-F403 HydrophobicContact CD1-CD1 4.29Å; I379-F403 HydrophobicContact CD1-CE1 3.94Å; I379-F403 HydrophobicContact CG1-CD1 4.25Å; I379-F403 HydrophobicContact CG1-CE1 3.72Å; V384-F403 HydrophobicContact CG2-CD1 4.4Å; V384-F403 HydrophobicContact CG2-CE1 4Å; V384-F403 HydrophobicContact CG2-CZ 4.49Å; L397-F403 HydrophobicContact CD1-CB 3.79Å; L397-F403 HydrophobicContact CD1-CD1 3.7Å; L397-F403 HydrophobicContact CD1-CG 4.04Å; F403-I418 HydrophobicContact CD2-CD1 4.07Å; F403-I418 HydrophobicContact CD2-CG1 3.75Å; F403-I418 HydrophobicContact CD2-CG2 4.38Å; F403-I418 HydrophobicContact CE2-CB 4.2Å; F403-I418 HydrophobicContact CE2-CD1 4.45Å; F403-I418 HydrophobicContact CE2-CG1 3.81Å; F403-I418 HydrophobicContact CE2-CG2 3.69Å; F403-I418 HydrophobicContact CG-CD1 4.38Å; F403-I418 HydrophobicContact CZ-CG2 3.78Å; F403-F427 HydrophobicContact CE1-CD1 4.3Å; F403-F427 HydrophobicContact CE1-CE1 4.15Å; F403-F427 HydrophobicContact CZ-CD1 4.22Å; F403-F427 HydrophobicContact CZ-CE1 4.09Å |
| 404 | G | 77.1 | Confident | 74.8 | Confident | 10 Ų | 10 | 37.1 Ų | 37.1 | 10% | 0.103 | 21% | 0.213 | C | C | . | . | trans | 83.3 | 6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L406 R414 | G404-L406 PolarHBondContact O-N 2.88Å; G404-R414 VanDerWaalsContact CA-NH1 3.32Å; G404-R414 PolarHBondContact O-NH1 3.31Å | ||
| 405 | K | 71 | Confident | 74.5 | Confident | 82 Ų | 82 | 37.5 Ų | 37.5 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63 | -40 | 179 | -177.5 | 178.1 | 176.9 | 177.7 | 0 | 113.6 | W376 A407 L408 V409 F435 | W376-K405 HydrophobicContact CG-CB 4.29Å; K405-A407 PolarHBondContact O-N 3.49Å; K405-L408 WeakPolarHBondContact O-CB 3.46Å; K405-L408 PolarHBondContact O-N 3.09Å; K405-V409 HydrophobicContact CG-CG2 4.47Å; K405-F435 HydrophobicContact CG-CZ 4.5Å |
| 406 | L | 64 | Low | 74.2 | Confident | 43 Ų | 43 | 37.4 Ų | 37.4 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | -170.3 | -179.8 | 76.4 | 0 | 0 | 0 | 113.7 | V102 G404 L408 V409 N410 | V102-L406 HydrophobicContact CB-CD1 3.98Å; V102-L406 HydrophobicContact CB-CD2 3.4Å; V102-L406 HydrophobicContact CB-CG 4.32Å; V102-L406 HydrophobicContact CG1-CD1 4.29Å; V102-L406 HydrophobicContact CG1-CD2 4.07Å; V102-L406 HydrophobicContact CG2-CD2 3.41Å; V102-L406 VanDerWaalsContact CG2-CD2 3.41Å; G404-L406 PolarHBondContact O-N 2.88Å; L406-L408 PolarHBondContact O-N 3.07Å; L406-V409 PolarHBondContact O-N 2.91Å; L406-N410 PolarHBondContact O-N 3.35Å; L406-N410 VanDerWaalsContact O-N 3.09Å |
| 407 | A | 60.8 | Low | 74.2 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.3 | -24.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G373 K405 D411 A412 | G373-A407 VanDerWaalsContact CA-CB 3.47Å; K405-A407 PolarHBondContact O-N 3.49Å; A407-D411 PolarHBondContact O-N 3.25Å; A407-A412 WeakPolarHBondContact CB-O 3.07Å |
| 408 | L | 70.8 | Confident | 74.5 | Confident | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -72.9 | -36.2 | 173.3 | -55.2 | -171.6 | 0 | 0 | 0 | 112.7 | G373 W376 K405 L406 K432 F435 | G373-L408 WeakPolarHBondContact O-CD2 3.29Å; W376-L408 HydrophobicContact CB-CD1 3.63Å; K405-L408 WeakPolarHBondContact O-CB 3.46Å; K405-L408 PolarHBondContact O-N 3.09Å; L406-L408 PolarHBondContact O-N 3.07Å; L408-K432 HydrophobicContact CD2-CB 3.7Å; L408-K432 HydrophobicContact CD2-CD 4.46Å; L408-K432 HydrophobicContact CD2-CG 3.93Å; L408-F435 HydrophobicContact CB-CD1 3.98Å; L408-F435 HydrophobicContact CB-CE1 4.14Å; L408-F435 HydrophobicContact CD1-CB 4.01Å; L408-F435 HydrophobicContact CD1-CD1 4.06Å; L408-F435 HydrophobicContact CD1-CD2 4.06Å; L408-F435 HydrophobicContact CD1-CG 3.78Å |
| 409 | V | 65.9 | Low | 74.5 | Confident | 85 Ų | 85 | 37.1 Ų | 37.1 | 52% | 0.515 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -80.1 | -42.2 | -174.1 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | K405 L406 F435 | K405-V409 HydrophobicContact CG-CG2 4.47Å; L406-V409 PolarHBondContact O-N 2.91Å; V409-F435 HydrophobicContact CG2-CE1 4.04Å; V409-F435 HydrophobicContact CG2-CZ 4.19Å |
| 410 | N | 64.6 | Low | 74.7 | Confident | 95 Ų | 95 | 32.3 Ų | 32.3 | 51% | 0.508 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -98.2 | 0 | -171.4 | -66.9 | -4.7 | 0 | 0 | 0 | 113.7 | L406 A412 | L406-N410 PolarHBondContact O-N 3.35Å; L406-N410 VanDerWaalsContact O-N 3.09Å; N410-A412 HydrophobicContact CB-CB 4.08Å; N410-A412 PolarHBondContact O-N 3.15Å |
| 411 | D | 68.6 | Low | 74.8 | Confident | 118 Ų | 118 | 31 Ų | 31 | 63% | 0.631 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 41.4 | -171.8 | -157.3 | 25.2 | 0 | 0 | 0 | 112.6 | A407 K432 | A407-D411 PolarHBondContact O-N 3.25Å; D411-K432 WeakPolarHBondContact OD1-CE 3.27Å; D411-K432 IonicContact OD1-NZ 2.74Å; D411-K432 PolarHBondContact OD1-NZ 3.35Å |
| 412 | A | 63.8 | Low | 74.9 | Confident | 34 Ų | 34 | 33.2 Ų | 33.2 | 28% | 0.281 | 19% | 0.192 | S | C | . | . | trans | -111.9 | 154.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A407 N410 | A407-A412 WeakPolarHBondContact CB-O 3.07Å; N410-A412 HydrophobicContact CB-CB 4.08Å; N410-A412 PolarHBondContact O-N 3.15Å | ||
| 413 | P | 69.4 | Low | 75 | Confident | 86 Ų | 86 | 35 Ų | 35 | 56% | 0.558 | 20% | 0.201 | S | C | * | . | B | Isolated β-bridge | trans | -58.8 | 158.1 | 172.6 | -23.5 | 34.1 | 0 | 0 | 0 | 113.2 | E371 A415 | E371-P413 CarbonylContact O-C 3.59Å; E371-P413 VanDerWaalsContact O-CA 3.28Å; E371-P413 WeakPolarHBondContact O-CA 3.22Å; P413-A415 PolarHBondContact O-N 3.49Å |
| 414 | R | 74.3 | Confident | 75 | Confident | 9 Ų | 9 | 37.5 Ų | 37.5 | 3% | 0.034 | 22% | 0.215 | C | C | . | . | trans | -60.5 | 124.8 | 174.7 | -66.1 | -60.9 | -170.1 | -173.7 | 3.1 | 110.6 | F367 N368 Q369 G370 E371 S375 G404 A416 | F367-R414 HydrophobicContact CD2-CB 4.27Å; F367-R414 HydrophobicContact CD2-CG 3.76Å; F367-R414 HydrophobicContact CE2-CB 4.39Å; F367-R414 HydrophobicContact CE2-CG 4.04Å; F367-R414 HydrophobicContact CG-CG 4.45Å; N368-R414 WeakPolarHBondContact O-CB 3.22Å; Q369-R414 CarbonylContact C-O 3.52Å; Q369-R414 WeakPolarHBondContact CA-O 3.46Å; Q369-R414 WeakPolarHBondContact CG-O 3.42Å; G370-R414 PolarHBondContact N-O 3.11Å; E371-R414 HydrophobicContact CB-CG 4.3Å; E371-R414 WeakPolarHBondContact O-CG 3.27Å; E371-R414 PolarHBondContact O-N 3.21Å; S375-R414 VanDerWaalsContact N-NH2 3.18Å; S375-R414 PolarHBondContact O-NH1 3.16Å; S375-R414 PolarHBondContact O-NH2 2.94Å; G404-R414 VanDerWaalsContact CA-NH1 3.32Å; G404-R414 PolarHBondContact O-NH1 3.31Å; R414-A416 VanDerWaalsContact C-N 3.3Å; R414-A416 PolarHBondContact O-N 3.35Å | ||
| 415 | A | 64.5 | Low | 75.5 | Confident | 25 Ų | 25 | 37 Ų | 37 | 21% | 0.207 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79.2 | -9.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | I104 Q369 P413 | I104-A415 HydrophobicContact CG2-CB 4.11Å; Q369-A415 PolarHBondContact NE2-O 2.93Å; P413-A415 PolarHBondContact O-N 3.49Å |
| 416 | A | 71.2 | Confident | 76.6 | Confident | 8 Ų | 8 | 34.6 Ų | 34.6 | 7% | 0.066 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -153.7 | 157.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | F367 V386 V387 I388 R414 | F367-A416 VanDerWaalsContact CE2-O 3.31Å; F367-A416 WeakPolarHBondContact CE2-O 3.26Å; V386-A416 HydrophobicContact CG1-CB 3.73Å; V387-A416 CarbonylContact O-C 3.14Å; V387-A416 WeakPolarHBondContact O-CA 3.47Å; I388-A416 HydrophobicContact CD1-CB 4.41Å; I388-A416 HydrophobicContact CG1-CB 3.75Å; R414-A416 VanDerWaalsContact C-N 3.3Å; R414-A416 PolarHBondContact O-N 3.35Å |
| 417 | S | 78.9 | Confident | 78 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 149.6 | 166.2 | -54.8 | 0 | 0 | 0 | 0 | 110.6 | F367 N368 Q369 V387 | F367-S417 WeakPolarHBondContact O-CA 3.49Å; N368-S417 WeakPolarHBondContact CA-OG 3.48Å; Q369-S417 PolarHBondContact N-OG 2.84Å; V387-S417 PolarHBondContact N-O 3.48Å; V387-S417 PolarHBondContact O-N 3.34Å |
| 418 | I | 88.7 | Confident | 79.6 | Confident | 4 Ų | 4 | 32.3 Ų | 32.3 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 124.8 | 174.8 | -62 | -60.7 | 0 | 0 | 0 | 108.6 | L366 F367 V384 V386 F403 | L366-I418 HydrophobicContact CB-CB 4.2Å; L366-I418 HydrophobicContact CB-CG2 3.98Å; L366-I418 HydrophobicContact CD2-CG2 4.15Å; L366-I418 PolarHBondContact N-O 3.44Å; F367-I418 HydrophobicContact CD2-CG1 4.31Å; F367-I418 HydrophobicContact CE1-CB 4.25Å; F367-I418 HydrophobicContact CE1-CG1 3.83Å; F367-I418 HydrophobicContact CE2-CB 4.24Å; F367-I418 HydrophobicContact CE2-CG1 3.5Å; F367-I418 HydrophobicContact CZ-CB 4.07Å; F367-I418 HydrophobicContact CZ-CD1 4.38Å; F367-I418 HydrophobicContact CZ-CG1 3.23Å; F367-I418 PolarHBondContact O-N 3.45Å; F367-I418 VanDerWaalsContact O-N 3.08Å; V384-I418 HydrophobicContact CB-CG2 3.85Å; V384-I418 HydrophobicContact CG1-CG2 4.11Å; V384-I418 HydrophobicContact CG2-CG2 3.9Å; V386-I418 HydrophobicContact CB-CD1 4.25Å; V386-I418 HydrophobicContact CG1-CD1 4.16Å; V386-I418 HydrophobicContact CG2-CD1 3.82Å; F403-I418 HydrophobicContact CD2-CD1 4.07Å; F403-I418 HydrophobicContact CD2-CG1 3.75Å; F403-I418 HydrophobicContact CD2-CG2 4.38Å; F403-I418 HydrophobicContact CE2-CB 4.2Å; F403-I418 HydrophobicContact CE2-CD1 4.45Å; F403-I418 HydrophobicContact CE2-CG1 3.81Å; F403-I418 HydrophobicContact CE2-CG2 3.69Å; F403-I418 HydrophobicContact CG-CD1 4.38Å; F403-I418 HydrophobicContact CZ-CG2 3.78Å |
| 419 | V | 88.1 | Confident | 80.8 | Confident | 16 Ų | 16 | 34.9 Ų | 34.9 | 10% | 0.097 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 132.5 | -179.6 | -172.1 | 0 | 0 | 0 | 0 | 109.4 | G363 V365 V384 N385 V387 R421 | G363-V419 WeakPolarHBondContact O-CG1 3.48Å; V365-V419 HydrophobicContact CG2-CG1 4.49Å; V365-V419 HydrophobicContact CG2-CG2 4.17Å; V384-V419 CarbonylContact C-O 3.51Å; V384-V419 WeakPolarHBondContact CA-O 3.38Å; N385-V419 PolarHBondContact N-O 2.91Å; N385-V419 PolarHBondContact O-N 2.88Å; N385-V419 VanDerWaalsContact O-N 3.08Å; V387-V419 HydrophobicContact CG2-CG2 4.22Å; V419-R421 PolarHBondContact O-N 3.48Å |
| 420 | L | 89.8 | Confident | 82.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 132.4 | 178.1 | -88 | 64.2 | 0 | 0 | 0 | 110.9 | H359 G363 T364 L366 V384 C425 F427 | H359-L420 HydrophobicContact CB-CD2 3.37Å; G363-L420 PolarHBondContact N-O 2.9Å; T364-L420 WeakPolarHBondContact O-CD1 3.44Å; T364-L420 PolarHBondContact O-N 2.85Å; L366-L420 HydrophobicContact CB-CD1 4.48Å; L366-L420 HydrophobicContact CD1-CD1 4.32Å; V384-L420 HydrophobicContact CG1-CD1 4.13Å; V384-L420 HydrophobicContact CG1-CG 4.27Å; L420-C425 HydrophobicContact CD2-CB 3.59Å; L420-C425 HydrophobicContact CG-CB 3.99Å; L420-F427 HydrophobicContact CD1-CE2 4.2Å; L420-F427 HydrophobicContact CD1-CZ 3.98Å; L420-F427 HydrophobicContact CD2-CE2 4.41Å; L420-F427 HydrophobicContact CG-CE2 4.49Å; L420-F427 HydrophobicContact CG-CZ 4.23Å |
| 421 | R | 85.9 | Confident | 83.5 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | trans | -88.7 | -29.6 | 179.8 | -178.9 | 175.5 | -179.4 | 79.3 | 2.3 | 112.1 | G156 L158 V164 E166 T167 S383 N385 V419 | G156-R421 PolarHBondContact O-NE 2.83Å; G156-R421 PolarHBondContact O-NH2 3.04Å; L158-R421 PolarHBondContact O-NH2 2.88Å; V164-R421 PolarHBondContact O-NH1 2.79Å; V164-R421 PolarHBondContact O-NH2 3.4Å; E166-R421 WeakPolarHBondContact CA-O 3.34Å; T167-R421 PolarHBondContact N-O 3.26Å; S383-R421 WeakPolarHBondContact O-CB 3.28Å; S383-R421 PolarHBondContact O-N 3.24Å; N385-R421 PolarHBondContact OD1-NH1 3.19Å; N385-R421 VanDerWaalsContact OD1-NH1 3.15Å; V419-R421 PolarHBondContact O-N 3.48Å | ||
| 422 | E | 86.1 | Confident | 84.4 | Confident | 48 Ų | 48 | 24.2 Ų | 24.2 | 22% | 0.224 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -137.7 | 166.6 | -177.9 | 68.2 | -167.4 | 137.2 | 0 | 0 | 112.7 | G382 S383 C425 | G382-E422 WeakPolarHBondContact CA-OE1 3.34Å; S383-E422 WeakPolarHBondContact CB-OE1 3.32Å; S383-E422 PolarHBondContact N-OE1 3.34Å; S383-E422 PolarHBondContact OG-OE1 2.66Å; E422-C425 PolarHBondContact O-SG 3.29Å |
| 423 | D | 86.2 | Confident | 85.6 | Confident | 52 Ų | 52 | 30.4 Ų | 30.4 | 28% | 0.278 | 16% | 0.158 | S | C | . | . | S | Bend | trans | -70.3 | 157.3 | 178.1 | -62.5 | -25 | 0 | 0 | 0 | 111 | G168 S169 A360 K361 G362 C425 | G168-D423 WeakPolarHBondContact CA-OD2 3.5Å; S169-D423 PolarHBondContact N-OD2 3.44Å; A360-D423 CarbonylContact O-C 3.58Å; A360-D423 VanDerWaalsContact O-CA 3.23Å; A360-D423 WeakPolarHBondContact O-CA 3.35Å; A360-D423 VanDerWaalsContact O-CB 3.23Å; A360-D423 WeakPolarHBondContact O-CB 3.46Å; K361-D423 WeakPolarHBondContact CA-OD1 3.4Å; G362-D423 PolarHBondContact N-OD1 3.02Å; D423-C425 PolarHBondContact O-N 3.18Å |
| 424 | N | 85.2 | Confident | 86.6 | Confident | 57 Ų | 57 | 27.6 Ų | 27.6 | 31% | 0.305 | 14% | 0.138 | S | C | . | . | S | Bend | trans | 55.7 | 46.8 | 174.2 | -63 | -44.1 | 0 | 0 | 0 | 115 | H359 A360 H426 | H359-N424 CarbonylContact O-C 3.57Å; H359-N424 WeakPolarHBondContact O-CA 3.37Å; H359-N424 PolarHBondContact O-N 3.12Å; A360-N424 PolarHBondContact O-N 3.1Å; N424-H426 PolarHBondContact O-CE1 3.18Å |
| 425 | C | 88.3 | Confident | 87.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 145.3 | 173.7 | -66.8 | 0 | 0 | 0 | 0 | 111.6 | S358 H359 K381 L420 E422 D423 F427 | S358-C425 WeakPolarHBondContact CA-O 3.38Å; H359-C425 PolarHBondContact N-O 3.23Å; H359-C425 PolarHBondContact O-N 2.92Å; K381-C425 CarbonylContact O-C 3.6Å; K381-C425 VanDerWaalsContact O-CA 3.26Å; K381-C425 WeakPolarHBondContact O-CA 3.18Å; L420-C425 HydrophobicContact CD2-CB 3.59Å; L420-C425 HydrophobicContact CG-CB 3.99Å; E422-C425 PolarHBondContact O-SG 3.29Å; D423-C425 PolarHBondContact O-N 3.18Å; C425-F427 HydrophobicContact CB-CE2 3.59Å; C425-F427 HydrophobicContact CB-CZ 3.62Å |
| 426 | H | 93.1 | Very high | 87.9 | Confident | 30 Ų | 30 | 29.3 Ų | 29.3 | 14% | 0.139 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 137.2 | 179.2 | -57.4 | -16 | 0 | 0 | 0 | 110.1 | F356 E357 L380 K381 N424 | F356-H426 HydrophobicContact CE2-CB 3.84Å; F356-H426 HydrophobicContact CZ-CB 4.01Å; F356-H426 AromaticContact CZ-CG 3.83Å; E357-H426 CarbonylContact O-C 3.46Å; E357-H426 WeakPolarHBondContact O-CA 3.42Å; L380-H426 HydrophobicContact CB-CB 4.08Å; L380-H426 PolarHBondContact N-O 3.47Å; K381-H426 HydrophobicContact CB-CB 3.8Å; K381-H426 PolarHBondContact N-O 3.08Å; K381-H426 VanDerWaalsContact N-O 3.16Å; K381-H426 PolarHBondContact O-N 2.69Å; N424-H426 PolarHBondContact O-CE1 3.18Å |
| 427 | F | 94.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 146.4 | -175.9 | -52.2 | -85.5 | 0 | 0 | 0 | 111.1 | E357 H359 Y377 I378 I379 V384 F403 L420 C425 | E357-F427 PolarHBondContact N-O 3.17Å; E357-F427 PolarHBondContact O-N 3.45Å; H359-F427 AromaticContact CD2-CE2 3.87Å; Y377-F427 HydrophobicContact CD1-CB 4.2Å; I378-F427 CarbonylContact O-C 3Å; I378-F427 VanDerWaalsContact O-CA 3.22Å; I378-F427 WeakPolarHBondContact O-CA 3.46Å; I379-F427 HydrophobicContact CB-CD1 4.45Å; I379-F427 HydrophobicContact CB-CE1 4.5Å; I379-F427 HydrophobicContact CG1-CD1 4.04Å; I379-F427 HydrophobicContact CG1-CE1 3.91Å; I379-F427 HydrophobicContact CG2-CE1 4.31Å; V384-F427 HydrophobicContact CG1-CE1 3.74Å; V384-F427 HydrophobicContact CG1-CZ 3.65Å; F403-F427 HydrophobicContact CE1-CD1 4.3Å; F403-F427 HydrophobicContact CE1-CE1 4.15Å; F403-F427 HydrophobicContact CZ-CD1 4.22Å; F403-F427 HydrophobicContact CZ-CE1 4.09Å; L420-F427 HydrophobicContact CD1-CE2 4.2Å; L420-F427 HydrophobicContact CD1-CZ 3.98Å; L420-F427 HydrophobicContact CD2-CE2 4.41Å; L420-F427 HydrophobicContact CG-CE2 4.49Å; L420-F427 HydrophobicContact CG-CZ 4.23Å; C425-F427 HydrophobicContact CB-CE2 3.59Å; C425-F427 HydrophobicContact CB-CZ 3.62Å |
| 428 | L | 94.9 | Very high | 89 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 134.9 | 155.2 | -63.7 | 179.1 | 0 | 0 | 0 | 108.8 | L314 L333 I336 L354 I355 Y377 I378 L380 | L314-L428 HydrophobicContact CD1-CD2 3.41Å; L314-L428 VanDerWaalsContact CD1-CD2 3.41Å; L333-L428 HydrophobicContact CD2-CD1 4.36Å; I336-L428 HydrophobicContact CD1-CD1 3.51Å; L354-L428 HydrophobicContact CD1-CD1 4.44Å; L354-L428 HydrophobicContact CD2-CB 3.98Å; L354-L428 HydrophobicContact CD2-CD1 4.39Å; I355-L428 CarbonylContact O-C 3.54Å; I355-L428 WeakPolarHBondContact O-CA 3.38Å; Y377-L428 CarbonylContact C-O 3.58Å; Y377-L428 VanDerWaalsContact CA-O 3.29Å; Y377-L428 WeakPolarHBondContact CA-O 3.43Å; I378-L428 HydrophobicContact CB-CB 4.27Å; I378-L428 PolarHBondContact N-O 3.39Å; I378-L428 PolarHBondContact O-N 3Å; L380-L428 HydrophobicContact CD1-CD1 4.44Å; L380-L428 HydrophobicContact CD1-CD2 3.72Å; L380-L428 HydrophobicContact CD1-CG 3.7Å; L380-L428 HydrophobicContact CD2-CD1 3.98Å; L380-L428 HydrophobicContact CD2-CG 3.94Å; L380-L428 HydrophobicContact CG-CD1 4.43Å; L380-L428 HydrophobicContact CG-CD2 4.41Å; L380-L428 HydrophobicContact CG-CG 3.83Å |
| 429 | R | 95.2 | Very high | 88.3 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 22% | 0.219 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 136.8 | -179.4 | -168.7 | -176.1 | 84.5 | -169.4 | 11.9 | 111.1 | I355 E357 S375 W376 Y377 D431 | I355-R429 HydrophobicContact CB-CB 4.35Å; I355-R429 PolarHBondContact N-O 2.96Å; I355-R429 PolarHBondContact O-N 3.4Å; E357-R429 VanDerWaalsContact OE2-CD 3.32Å; E357-R429 WeakPolarHBondContact OE2-CD 3.48Å; E357-R429 IonicContact OE2-CZ 3.79Å; E357-R429 IonicContact OE2-NE 2.77Å; E357-R429 IonicContact OE2-NH1 3.45Å; E357-R429 PolarHBondContact OE2-NH1 2.84Å; S375-R429 VanDerWaalsContact CB-CG 3.46Å; S375-R429 WeakPolarHBondContact OG-CD 3.47Å; W376-R429 CarbonylContact O-C 3.46Å; W376-R429 WeakPolarHBondContact O-CA 3.39Å; Y377-R429 HydrophobicContact CD1-CB 4.1Å; Y377-R429 HydrophobicContact CD1-CG 3.92Å; Y377-R429 HydrophobicContact CE1-CB 4.07Å; Y377-R429 VanDerWaalsContact CE1-CD 3.46Å; Y377-R429 HydrophobicContact CE1-CG 3.57Å; Y377-R429 HydrophobicContact CE2-CG 4.48Å; R429-D431 IonicContact CZ-OD1 3.56Å; R429-D431 IonicContact CZ-OD2 2.85Å; R429-D431 IonicContact NE-OD1 3.64Å; R429-D431 PolarHBondContact NE-OD1 2.95Å; R429-D431 IonicContact NE-OD2 3.49Å; R429-D431 IonicContact NH2-OD1 2.66Å; R429-D431 PolarHBondContact NH2-OD1 3.34Å; R429-D431 IonicContact NH2-OD2 3.92Å; R429-D431 PolarHBondContact NH2-OD2 2.86Å |
| 430 | V | 93.4 | Very high | 87.8 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 123.6 | 168.4 | -173.7 | 0 | 0 | 0 | 0 | 108.2 | L350 V353 L354 S375 W376 D434 F435 | L350-V430 HydrophobicContact CD2-CG1 4.25Å; L350-V430 HydrophobicContact CD2-CG2 3.67Å; V353-V430 HydrophobicContact CG2-CG1 4.33Å; L354-V430 HydrophobicContact CD2-CG2 3.41Å; L354-V430 VanDerWaalsContact CD2-CG2 3.41Å; L354-V430 HydrophobicContact CG-CG2 4.27Å; S375-V430 CarbonylContact C-O 3.59Å; S375-V430 VanDerWaalsContact CA-O 3.28Å; S375-V430 WeakPolarHBondContact CA-O 3.28Å; W376-V430 HydrophobicContact CE3-CB 4.18Å; W376-V430 HydrophobicContact CE3-CG2 3.88Å; W376-V430 HydrophobicContact CZ3-CG2 4.27Å; W376-V430 PolarHBondContact N-O 2.93Å; W376-V430 PolarHBondContact O-N 3.11Å; V430-D434 HydrophobicContact CG1-CB 4.43Å; V430-F435 HydrophobicContact CG1-CB 4.03Å |
| 431 | D | 93.6 | Very high | 87.1 | Confident | 39 Ų | 39 | 46.6 Ų | 46.6 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 153.5 | -179.2 | -66.5 | -19.5 | 0 | 0 | 0 | 111.4 | I355 S375 R429 E433 D434 F435 | I355-D431 VanDerWaalsContact CD1-OD2 3.32Å; I355-D431 WeakPolarHBondContact CD1-OD2 3.36Å; S375-D431 PolarHBondContact OG-OD1 3.05Å; R429-D431 IonicContact CZ-OD1 3.56Å; R429-D431 IonicContact CZ-OD2 2.85Å; R429-D431 IonicContact NE-OD1 3.64Å; R429-D431 PolarHBondContact NE-OD1 2.95Å; R429-D431 IonicContact NE-OD2 3.49Å; R429-D431 IonicContact NH2-OD1 2.66Å; R429-D431 PolarHBondContact NH2-OD1 3.34Å; R429-D431 IonicContact NH2-OD2 3.92Å; R429-D431 PolarHBondContact NH2-OD2 2.86Å; D431-E433 VanDerWaalsContact C-N 3.3Å; D431-E433 PolarHBondContact O-N 2.61Å; D431-D434 PolarHBondContact O-N 2.83Å; D431-F435 WeakPolarHBondContact O-CB 3.14Å; D431-F435 PolarHBondContact O-N 3.42Å |
| 432 | K | 87.5 | Confident | 86.5 | Confident | 35 Ų | 35 | 47.9 Ų | 47.9 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -53.3 | -42.8 | -173.6 | -173.5 | 179 | -173.8 | 171.6 | 0 | 113.3 | E372 G373 T374 L408 D411 F435 N436 | E372-K432 IonicContact OE1-NZ 3.67Å; E372-K432 PolarHBondContact OE1-NZ 3.27Å; G373-K432 WeakPolarHBondContact O-CD 3.49Å; T374-K432 WeakPolarHBondContact O-CB 3.25Å; T374-K432 PolarHBondContact O-N 3Å; L408-K432 HydrophobicContact CD2-CB 3.7Å; L408-K432 HydrophobicContact CD2-CD 4.46Å; L408-K432 HydrophobicContact CD2-CG 3.93Å; D411-K432 WeakPolarHBondContact OD1-CE 3.27Å; D411-K432 IonicContact OD1-NZ 2.74Å; D411-K432 PolarHBondContact OD1-NZ 3.35Å; K432-F435 PolarHBondContact O-N 3.01Å; K432-N436 WeakPolarHBondContact O-CB 3.19Å; K432-N436 PolarHBondContact O-N 3.24Å; K432-N436 PolarHBondContact O-ND2 3.26Å |
| 433 | E | 89.1 | Confident | 85.8 | Confident | 163 Ų | 163 | 50.2 Ų | 50.2 | 76% | 0.762 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -63.8 | -47.4 | -179 | -66.7 | -174.4 | 179.9 | 0 | 0 | 111.6 | D431 R437 | D431-E433 VanDerWaalsContact C-N 3.3Å; D431-E433 PolarHBondContact O-N 2.61Å; E433-R437 VanDerWaalsContact O-CB 3.26Å; E433-R437 WeakPolarHBondContact O-CB 3.19Å; E433-R437 PolarHBondContact O-N 2.98Å |
| 434 | D | 90.9 | Very high | 85 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 14% | 0.144 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.7 | -42.6 | 177 | -73.6 | -43.5 | 0 | 0 | 0 | 111.2 | V353 V430 D431 N436 R437 I438 | V353-D434 HydrophobicContact CB-CB 3.92Å; V353-D434 HydrophobicContact CG1-CB 3.97Å; V353-D434 HydrophobicContact CG2-CB 4.18Å; V430-D434 HydrophobicContact CG1-CB 4.43Å; D431-D434 PolarHBondContact O-N 2.83Å; D434-N436 PolarHBondContact O-N 3.33Å; D434-R437 PolarHBondContact O-N 3.37Å; D434-R437 IonicContact OD1-CZ 3.44Å; D434-R437 IonicContact OD1-NH1 3.95Å; D434-R437 PolarHBondContact OD1-NH1 3.23Å; D434-R437 IonicContact OD1-NH2 3.49Å; D434-R437 PolarHBondContact OD1-NH2 3.27Å; D434-I438 VanDerWaalsContact O-CG1 3.24Å; D434-I438 WeakPolarHBondContact O-CG1 3.46Å; D434-I438 PolarHBondContact O-N 3.36Å |
| 435 | F | 84 | Confident | 84.3 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -55.7 | -50.2 | 175.8 | -178.4 | -93.4 | 0 | 0 | 0 | 111.3 | K405 L408 V409 V430 D431 K432 I438 L439 | K405-F435 HydrophobicContact CG-CZ 4.5Å; L408-F435 HydrophobicContact CB-CD1 3.98Å; L408-F435 HydrophobicContact CB-CE1 4.14Å; L408-F435 HydrophobicContact CD1-CB 4.01Å; L408-F435 HydrophobicContact CD1-CD1 4.06Å; L408-F435 HydrophobicContact CD1-CD2 4.06Å; L408-F435 HydrophobicContact CD1-CG 3.78Å; V409-F435 HydrophobicContact CG2-CE1 4.04Å; V409-F435 HydrophobicContact CG2-CZ 4.19Å; V430-F435 HydrophobicContact CG1-CB 4.03Å; D431-F435 WeakPolarHBondContact O-CB 3.14Å; D431-F435 PolarHBondContact O-N 3.42Å; K432-F435 PolarHBondContact O-N 3.01Å; F435-I438 PolarHBondContact O-N 3.15Å; F435-L439 HydrophobicContact CD1-CD1 4Å; F435-L439 HydrophobicContact CE1-CD1 3.48Å; F435-L439 VanDerWaalsContact CE1-CD1 3.48Å; F435-L439 HydrophobicContact CE1-CG 4.48Å; F435-L439 HydrophobicContact CZ-CD1 3.96Å; F435-L439 WeakPolarHBondContact O-CG 3.47Å; F435-L439 PolarHBondContact O-N 3.09Å |
| 436 | N | 82.1 | Confident | 83.8 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.251 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.3 | -34.9 | 178.7 | -72.1 | -26 | 0 | 0 | 0 | 112.3 | K432 D434 L439 R440 | K432-N436 WeakPolarHBondContact O-CB 3.19Å; K432-N436 PolarHBondContact O-N 3.24Å; K432-N436 PolarHBondContact O-ND2 3.26Å; D434-N436 PolarHBondContact O-N 3.33Å; N436-L439 PolarHBondContact O-N 3.17Å; N436-R440 WeakPolarHBondContact O-CG 3.24Å; N436-R440 PolarHBondContact O-N 2.98Å |
| 437 | R | 87.5 | Confident | 83 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 174.4 | -176 | -179.3 | 75.1 | -127.9 | -7.7 | 110.7 | E433 D434 L439 R440 D441 | E433-R437 VanDerWaalsContact O-CB 3.26Å; E433-R437 WeakPolarHBondContact O-CB 3.19Å; E433-R437 PolarHBondContact O-N 2.98Å; D434-R437 PolarHBondContact O-N 3.37Å; D434-R437 IonicContact OD1-CZ 3.44Å; D434-R437 IonicContact OD1-NH1 3.95Å; D434-R437 PolarHBondContact OD1-NH1 3.23Å; D434-R437 IonicContact OD1-NH2 3.49Å; D434-R437 PolarHBondContact OD1-NH2 3.27Å; R437-L439 VanDerWaalsContact C-N 3.31Å; R437-L439 PolarHBondContact O-N 3.49Å; R437-R440 PolarHBondContact O-N 3.44Å; R437-R440 VanDerWaalsContact O-N 3.13Å; R437-D441 VanDerWaalsContact CG-OD2 3.3Å; R437-D441 WeakPolarHBondContact CG-OD2 3.49Å; R437-D441 WeakPolarHBondContact O-CB 3.36Å; R437-D441 VanDerWaalsContact O-CG 3.23Å; R437-D441 PolarHBondContact O-N 3.32Å |
| 438 | I | 84.5 | Confident | 82.2 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 179.4 | -67.5 | 172.7 | 0 | 0 | 0 | 110.6 | V346 E349 L350 V353 D434 F435 R440 D441 V442 | V346-I438 HydrophobicContact CG1-CG2 4.24Å; V346-I438 HydrophobicContact CG2-CG2 4.39Å; E349-I438 HydrophobicContact CB-CD1 3.95Å; E349-I438 HydrophobicContact CB-CG1 3.92Å; E349-I438 HydrophobicContact CB-CG2 4.05Å; L350-I438 HydrophobicContact CD2-CD1 3.97Å; L350-I438 HydrophobicContact CG-CD1 4.4Å; V353-I438 HydrophobicContact CG1-CD1 4.43Å; V353-I438 HydrophobicContact CG2-CD1 3.55Å; D434-I438 VanDerWaalsContact O-CG1 3.24Å; D434-I438 WeakPolarHBondContact O-CG1 3.46Å; D434-I438 PolarHBondContact O-N 3.36Å; F435-I438 PolarHBondContact O-N 3.15Å; I438-R440 PolarHBondContact O-N 2.94Å; I438-D441 PolarHBondContact O-N 3.38Å; I438-V442 HydrophobicContact CG2-CG2 4.38Å; I438-V442 WeakPolarHBondContact O-CB 3.42Å; I438-V442 WeakPolarHBondContact O-CG2 3.3Å; I438-V442 PolarHBondContact O-N 2.77Å |
| 439 | L | 74.8 | Confident | 81 | Confident | 93 Ų | 93 | 62.5 Ų | 62.5 | 49% | 0.487 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 176.8 | -69.2 | 177.4 | 0 | 0 | 0 | 112.6 | F435 N436 R437 E443 | F435-L439 HydrophobicContact CD1-CD1 4Å; F435-L439 HydrophobicContact CE1-CD1 3.48Å; F435-L439 VanDerWaalsContact CE1-CD1 3.48Å; F435-L439 HydrophobicContact CE1-CG 4.48Å; F435-L439 HydrophobicContact CZ-CD1 3.96Å; F435-L439 WeakPolarHBondContact O-CG 3.47Å; F435-L439 PolarHBondContact O-N 3.09Å; N436-L439 PolarHBondContact O-N 3.17Å; R437-L439 VanDerWaalsContact C-N 3.31Å; R437-L439 PolarHBondContact O-N 3.49Å; L439-E443 PolarHBondContact O-N 3.22Å; L439-E443 VanDerWaalsContact O-N 3.16Å |
| 440 | R | 77 | Confident | 79.9 | Confident | 149 Ų | 149 | 65.1 Ų | 65.1 | 56% | 0.562 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -66.5 | -42.5 | 176.3 | -73.1 | -171.5 | -54.2 | -98 | -1.2 | 112.4 | N436 R437 I438 V442 E443 A444 | N436-R440 WeakPolarHBondContact O-CG 3.24Å; N436-R440 PolarHBondContact O-N 2.98Å; R437-R440 PolarHBondContact O-N 3.44Å; R437-R440 VanDerWaalsContact O-N 3.13Å; I438-R440 PolarHBondContact O-N 2.94Å; R440-V442 VanDerWaalsContact C-N 3.34Å; R440-E443 PolarHBondContact O-N 3.48Å; R440-A444 VanDerWaalsContact O-CB 3.26Å; R440-A444 WeakPolarHBondContact O-CB 3.36Å; R440-A444 PolarHBondContact O-N 3.22Å |
| 441 | D | 76.8 | Confident | 78.7 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 31% | 0.31 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -68.9 | -36.4 | -177.7 | -70 | -7.4 | 0 | 0 | 0 | 110.7 | R437 I438 A444 N445 | R437-D441 VanDerWaalsContact CG-OD2 3.3Å; R437-D441 WeakPolarHBondContact CG-OD2 3.49Å; R437-D441 WeakPolarHBondContact O-CB 3.36Å; R437-D441 VanDerWaalsContact O-CG 3.23Å; R437-D441 PolarHBondContact O-N 3.32Å; I438-D441 PolarHBondContact O-N 3.38Å; D441-A444 PolarHBondContact O-N 3.42Å; D441-N445 VanDerWaalsContact O-CB 3.27Å; D441-N445 WeakPolarHBondContact O-CB 3.23Å; D441-N445 PolarHBondContact O-N 3.26Å; D441-N445 PolarHBondContact O-ND2 2.88Å |
| 442 | V | 72.8 | Confident | 78 | Confident | 29 Ų | 29 | 76.1 Ų | 76.1 | 18% | 0.176 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 171.7 | 171 | 0 | 0 | 0 | 0 | 110.8 | V346 I438 R440 N445 T446 | V346-V442 HydrophobicContact CG2-CG2 3.85Å; I438-V442 HydrophobicContact CG2-CG2 4.38Å; I438-V442 WeakPolarHBondContact O-CB 3.42Å; I438-V442 WeakPolarHBondContact O-CG2 3.3Å; I438-V442 PolarHBondContact O-N 2.77Å; R440-V442 VanDerWaalsContact C-N 3.34Å; V442-N445 PolarHBondContact O-N 3.11Å; V442-T446 PolarHBondContact O-N 3.31Å; V442-T446 PolarHBondContact O-OG1 3.19Å |
| 443 | E | 70 | Confident | 77.3 | Confident | 97 Ų | 97 | 80.7 Ų | 80.7 | 45% | 0.453 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 178 | -165.9 | 63.9 | -153.1 | 0 | 0 | 111.8 | L439 R440 N445 T446 R448 | L439-E443 PolarHBondContact O-N 3.22Å; L439-E443 VanDerWaalsContact O-N 3.16Å; R440-E443 PolarHBondContact O-N 3.48Å; E443-N445 PolarHBondContact O-N 3.23Å; E443-T446 WeakPolarHBondContact O-CB 3.24Å; E443-T446 PolarHBondContact O-N 3.13Å; E443-R448 IonicContact OE1-CZ 3.51Å; E443-R448 IonicContact OE1-NE 3.64Å; E443-R448 PolarHBondContact OE1-NE 3.01Å; E443-R448 IonicContact OE1-NH2 3.82Å; E443-R448 IonicContact OE2-NH2 2.78Å |
| 444 | A | 69.4 | Low | 76.3 | Confident | 79 Ų | 79 | 79.7 Ų | 79.7 | 65% | 0.653 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -64.6 | -27.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | R440 D441 T446 | R440-A444 VanDerWaalsContact O-CB 3.26Å; R440-A444 WeakPolarHBondContact O-CB 3.36Å; R440-A444 PolarHBondContact O-N 3.22Å; D441-A444 PolarHBondContact O-N 3.42Å; A444-T446 VanDerWaalsContact C-N 3.34Å |
| 445 | N | 72.4 | Confident | 75.6 | Confident | 48 Ų | 48 | 80.5 Ų | 80.5 | 26% | 0.257 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -1.1 | 174.5 | -72.4 | -40.4 | 0 | 0 | 0 | 113.1 | D441 V442 E443 E460 K461 | D441-N445 VanDerWaalsContact O-CB 3.27Å; D441-N445 WeakPolarHBondContact O-CB 3.23Å; D441-N445 PolarHBondContact O-N 3.26Å; D441-N445 PolarHBondContact O-ND2 2.88Å; V442-N445 PolarHBondContact O-N 3.11Å; E443-N445 PolarHBondContact O-N 3.23Å; N445-E460 CarbonylContact O-C 3.58Å; N445-E460 WeakPolarHBondContact O-CA 3.35Å; N445-K461 HydrophobicContact CB-CB 4.02Å; N445-K461 WeakPolarHBondContact O-CB 3.38Å; N445-K461 PolarHBondContact O-N 3.46Å |
| 446 | T | 76.1 | Confident | 75.3 | Confident | 25 Ų | 25 | 80.1 Ų | 80.1 | 15% | 0.153 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 131.9 | 179.9 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | V442 E443 A444 R448 V458 L459 | V442-T446 PolarHBondContact O-N 3.31Å; V442-T446 PolarHBondContact O-OG1 3.19Å; E443-T446 WeakPolarHBondContact O-CB 3.24Å; E443-T446 PolarHBondContact O-N 3.13Å; A444-T446 VanDerWaalsContact C-N 3.34Å; T446-R448 HydrophobicContact CG2-CG 4.1Å; T446-V458 HydrophobicContact CG2-CG1 3.64Å; T446-L459 CarbonylContact C-O 3.59Å; T446-L459 WeakPolarHBondContact CA-O 3.5Å |
| 447 | V | 76.4 | Confident | 75 | Confident | 52 Ų | 52 | 78 Ų | 78 | 32% | 0.315 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 121.2 | 173 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | L449 V458 L459 Y480 | V447-L449 HydrophobicContact CG1-CD2 4.38Å; V447-V458 WeakPolarHBondContact O-CA 3.35Å; V447-L459 HydrophobicContact CB-CB 4.28Å; V447-L459 PolarHBondContact N-O 3.35Å; V447-L459 PolarHBondContact O-N 2.72Å; V447-Y480 HydrophobicContact CB-CE1 4.48Å; V447-Y480 HydrophobicContact CG2-CD1 4.19Å; V447-Y480 HydrophobicContact CG2-CE1 3.53Å |
| 448 | R | 77.9 | Confident | 74.7 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 113.8 | 177.5 | -59.6 | 173.6 | -177 | -94.2 | -2.9 | 109.2 | E443 T446 D455 V458 | E443-R448 IonicContact OE1-CZ 3.51Å; E443-R448 IonicContact OE1-NE 3.64Å; E443-R448 PolarHBondContact OE1-NE 3.01Å; E443-R448 IonicContact OE1-NH2 3.82Å; E443-R448 IonicContact OE2-NH2 2.78Å; T446-R448 HydrophobicContact CG2-CG 4.1Å; R448-D455 WeakPolarHBondContact CD-OD2 3.39Å; R448-D455 IonicContact CZ-OD2 2.98Å; R448-D455 IonicContact NH1-OD2 3.2Å; R448-D455 PolarHBondContact NH1-OD2 3.34Å; R448-V458 HydrophobicContact CG-CG1 4.35Å; R448-V458 HydrophobicContact CG-CG2 4.35Å |
| 449 | L | 70.7 | Confident | 74.5 | Confident | 81 Ų | 81 | 74.7 Ų | 74.7 | 42% | 0.424 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.6 | 168.3 | -57.1 | -177.3 | 0 | 0 | 0 | 108.4 | V447 V456 L457 | V447-L449 HydrophobicContact CG1-CD2 4.38Å; L449-V456 HydrophobicContact CB-CG2 4.32Å; L449-V456 WeakPolarHBondContact O-CG2 3.25Å; L449-V456 PolarHBondContact O-N 3.06Å; L449-L457 HydrophobicContact CB-CB 4.13Å; L449-L457 HydrophobicContact CD1-CB 4.12Å; L449-L457 HydrophobicContact CD1-CD2 3.84Å; L449-L457 HydrophobicContact CG-CB 4.35Å; L449-L457 PolarHBondContact N-O 3.08Å; L449-L457 PolarHBondContact O-N 3.14Å |
| 450 | K | 70.1 | Confident | 74.6 | Confident | 114 Ų | 114 | 71 Ų | 71 | 50% | 0.496 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 137.7 | -179.8 | -70.4 | -175.4 | 164.9 | -161.9 | 0 | 111.7 | D453 Q454 D455 | K450-D453 IonicContact NZ-OD1 3.64Å; K450-D453 PolarHBondContact NZ-OD1 3.4Å; K450-Q454 CarbonylContact C-O 3.58Å; K450-Q454 WeakPolarHBondContact CA-O 3.3Å; K450-D455 WeakPolarHBondContact CE-OD1 3.35Å; K450-D455 WeakPolarHBondContact CG-OD1 3.37Å |
| 451 | E | 70 | Confident | 74.6 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 40% | 0.397 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 132.8 | 164.6 | -68.1 | -178.9 | 160.3 | 0 | 0 | 107.9 | D453 Q454 V456 K489 | E451-D453 PolarHBondContact O-N 3.49Å; E451-Q454 PolarHBondContact N-O 3.2Å; E451-Q454 PolarHBondContact O-N 3.17Å; E451-V456 HydrophobicContact CB-CG1 3.86Å; E451-V456 HydrophobicContact CB-CG2 4.27Å; E451-V456 HydrophobicContact CG-CG1 4.33Å; E451-V456 HydrophobicContact CG-CG2 3.89Å; E451-K489 WeakPolarHBondContact OE1-CE 3.36Å; E451-K489 IonicContact OE1-NZ 2.77Å; E451-K489 PolarHBondContact OE1-NZ 3.42Å; E451-K489 VanDerWaalsContact OE2-CE 3.3Å; E451-K489 WeakPolarHBondContact OE2-CE 3.42Å |
| 452 | H | 77.9 | Confident | 73.9 | Confident | 186 Ų | 186 | 66.5 Ų | 66.5 | 86% | 0.861 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 37.6 | -176.7 | -49.2 | -65.4 | 0 | 0 | 0 | 113.7 | Q454 | H452-Q454 PolarHBondContact O-N 2.88Š|
| 453 | D | 73.1 | Confident | 72.9 | Confident | 131 Ų | 131 | 67.9 Ų | 67.9 | 70% | 0.701 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.7 | 17.2 | -176.5 | -159.4 | 24.9 | 0 | 0 | 0 | 115.5 | K450 E451 | K450-D453 IonicContact NZ-OD1 3.64Å; K450-D453 PolarHBondContact NZ-OD1 3.4Å; E451-D453 PolarHBondContact O-N 3.49Å |
| 454 | Q | 66.9 | Low | 71.8 | Confident | 142 Ų | 142 | 67.2 Ų | 67.2 | 66% | 0.664 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.9 | 170.7 | -64.2 | -176.6 | -4.6 | 0 | 0 | 109.9 | K450 E451 H452 V456 | K450-Q454 CarbonylContact C-O 3.58Å; K450-Q454 WeakPolarHBondContact CA-O 3.3Å; E451-Q454 PolarHBondContact N-O 3.2Å; E451-Q454 PolarHBondContact O-N 3.17Å; H452-Q454 PolarHBondContact O-N 2.88Å; Q454-V456 PolarHBondContact O-N 3.47Å |
| 455 | D | 76.3 | Confident | 70.5 | Confident | 44 Ų | 44 | 66.3 Ų | 66.3 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 126.1 | 172.4 | -72.1 | -2.3 | 0 | 0 | 0 | 108.6 | R448 K450 V458 L927 | R448-D455 WeakPolarHBondContact CD-OD2 3.39Å; R448-D455 IonicContact CZ-OD2 2.98Å; R448-D455 IonicContact NH1-OD2 3.2Å; R448-D455 PolarHBondContact NH1-OD2 3.34Å; K450-D455 WeakPolarHBondContact CE-OD1 3.35Å; K450-D455 WeakPolarHBondContact CG-OD1 3.37Å; D455-V458 HydrophobicContact CB-CG2 4.44Å; D455-L927 HydrophobicContact CB-CD1 4.25Å; D455-L927 WeakPolarHBondContact O-CD1 3.43Å; D455-L927 WeakPolarHBondContact O-CD2 3.43Å |
| 456 | V | 79.6 | Confident | 68.9 | Low | 15 Ų | 15 | 71.7 Ų | 71.7 | 9% | 0.091 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | -20.8 | 178.1 | -65 | 0 | 0 | 0 | 0 | 113.1 | L449 E451 Q454 G485 T486 K489 | L449-V456 HydrophobicContact CB-CG2 4.32Å; L449-V456 WeakPolarHBondContact O-CG2 3.25Å; L449-V456 PolarHBondContact O-N 3.06Å; E451-V456 HydrophobicContact CB-CG1 3.86Å; E451-V456 HydrophobicContact CB-CG2 4.27Å; E451-V456 HydrophobicContact CG-CG1 4.33Å; E451-V456 HydrophobicContact CG-CG2 3.89Å; Q454-V456 PolarHBondContact O-N 3.47Å; V456-G485 CarbonylContact O-C 3.55Å; V456-G485 WeakPolarHBondContact O-CA 3.33Å; V456-T486 PolarHBondContact O-N 3.06Å; V456-K489 HydrophobicContact CB-CG 4.06Å; V456-K489 HydrophobicContact CG2-CG 4.05Å |
| 457 | L | 75.9 | Confident | 66.8 | Low | 3 Ų | 3 | 81.8 Ų | 81.8 | 2% | 0.016 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 128.6 | 172 | -167.9 | 70.8 | 0 | 0 | 0 | 109.7 | L449 L459 V482 S484 K489 I490 H493 | L449-L457 HydrophobicContact CB-CB 4.13Å; L449-L457 HydrophobicContact CD1-CB 4.12Å; L449-L457 HydrophobicContact CD1-CD2 3.84Å; L449-L457 HydrophobicContact CG-CB 4.35Å; L449-L457 PolarHBondContact N-O 3.08Å; L449-L457 PolarHBondContact O-N 3.14Å; L457-L459 HydrophobicContact CD2-CD1 4.48Å; L457-L459 HydrophobicContact CD2-CD2 3.92Å; L457-L459 HydrophobicContact CD2-CG 4.27Å; L457-L459 HydrophobicContact CG-CD2 3.99Å; L457-L459 HydrophobicContact CG-CG 4.35Å; L457-V482 HydrophobicContact CD1-CG1 3.84Å; L457-S484 CarbonylContact C-O 3.53Å; L457-S484 WeakPolarHBondContact CA-O 3.4Å; L457-K489 HydrophobicContact CB-CB 4.45Å; L457-I490 HydrophobicContact CD1-CG1 3.99Å; L457-H493 HydrophobicContact CD2-CB 3.8Å |
| 458 | V | 80.4 | Confident | 64.7 | Low | 12 Ų | 12 | 84.3 Ų | 84.3 | 7% | 0.073 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.7 | 175.8 | -174.7 | 0 | 0 | 0 | 0 | 108.1 | T446 V447 R448 D455 M483 S484 | T446-V458 HydrophobicContact CG2-CG1 3.64Å; V447-V458 WeakPolarHBondContact O-CA 3.35Å; R448-V458 HydrophobicContact CG-CG1 4.35Å; R448-V458 HydrophobicContact CG-CG2 4.35Å; D455-V458 HydrophobicContact CB-CG2 4.44Å; V458-M483 HydrophobicContact CB-CB 4.48Å; V458-M483 HydrophobicContact CG1-CB 4.35Å; V458-M483 PolarHBondContact O-N 3.26Å; V458-S484 PolarHBondContact N-O 2.62Å; V458-S484 PolarHBondContact O-N 3.42Å |
| 459 | L | 79.9 | Confident | 62.5 | Low | 14 Ų | 14 | 84 Ų | 84 | 7% | 0.073 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.7 | 177.8 | -53.4 | 176.9 | 0 | 0 | 0 | 109.1 | T446 V447 L457 Y480 T481 V482 | T446-L459 CarbonylContact C-O 3.59Å; T446-L459 WeakPolarHBondContact CA-O 3.5Å; V447-L459 HydrophobicContact CB-CB 4.28Å; V447-L459 PolarHBondContact N-O 3.35Å; V447-L459 PolarHBondContact O-N 2.72Å; L457-L459 HydrophobicContact CD2-CD1 4.48Å; L457-L459 HydrophobicContact CD2-CD2 3.92Å; L457-L459 HydrophobicContact CD2-CG 4.27Å; L457-L459 HydrophobicContact CG-CD2 3.99Å; L457-L459 HydrophobicContact CG-CG 4.35Å; L459-Y480 HydrophobicContact CB-CD1 4.21Å; L459-T481 CarbonylContact C-O 3.57Å; L459-T481 VanDerWaalsContact CA-O 3.28Å; L459-T481 WeakPolarHBondContact CA-O 3.09Å; L459-V482 HydrophobicContact CD2-CB 4.17Å; L459-V482 HydrophobicContact CD2-CG2 3.72Å |
| 460 | E | 77.6 | Confident | 60.9 | Low | 14 Ų | 14 | 88.1 Ų | 88.1 | 7% | 0.065 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.9 | 171.8 | -170 | 179.3 | 165.7 | 0 | 0 | 109.3 | T345 N445 V462 Y480 T481 M483 | T345-E460 WeakPolarHBondContact CB-OE1 3.47Å; T345-E460 WeakPolarHBondContact CG2-OE1 3.46Å; T345-E460 PolarHBondContact OG1-OE1 3.45Å; N445-E460 CarbonylContact O-C 3.58Å; N445-E460 WeakPolarHBondContact O-CA 3.35Å; E460-V462 PolarHBondContact O-N 3.27Å; E460-Y480 CarbonylContact O-C 3.09Å; E460-Y480 WeakPolarHBondContact O-CA 3.43Å; E460-T481 PolarHBondContact N-O 3.5Å; E460-T481 PolarHBondContact O-N 3.05Å; E460-T481 PolarHBondContact O-OG1 2.88Å; E460-T481 VanDerWaalsContact O-OG1 3.14Å; E460-M483 HydrophobicContact CB-CG 3.58Å; E460-M483 HydrophobicContact CB-SD 3.92Å; E460-M483 WeakPolarHBondContact OE2-CE 3.48Å |
| 461 | K | 75.6 | Confident | 59.3 | Low | 51 Ų | 51 | 92.1 Ų | 92.1 | 22% | 0.222 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 121.3 | 176.1 | -173 | 176 | 179.4 | 177.4 | 0 | 109 | N445 P463 Y480 | N445-K461 HydrophobicContact CB-CB 4.02Å; N445-K461 WeakPolarHBondContact O-CB 3.38Å; N445-K461 PolarHBondContact O-N 3.46Å; K461-P463 VanDerWaalsContact O-CD 3.31Å; K461-P463 WeakPolarHBondContact O-CD 3.47Å; K461-Y480 HydrophobicContact CB-CD1 4.01Å; K461-Y480 HydrophobicContact CB-CE1 3.73Å; K461-Y480 HydrophobicContact CG-CE1 4.3Å |
| 462 | V | 62 | Low | 57.4 | Low | 63 Ų | 63 | 91.1 Ų | 91.1 | 38% | 0.382 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 121.5 | 175.5 | -177.4 | 0 | 0 | 0 | 0 | 108.3 | E460 A464 K479 T481 | E460-V462 PolarHBondContact O-N 3.27Å; V462-A464 PolarHBondContact O-N 3.46Å; V462-K479 WeakPolarHBondContact CB-O 3.42Å; V462-K479 WeakPolarHBondContact CG2-O 3.39Å; V462-K479 PolarHBondContact N-O 3.35Å; V462-T481 HydrophobicContact CG2-CG2 3.26Å; V462-T481 WeakPolarHBondContact CG2-OG1 3.44Å |
| 463 | P | 53.2 | Low | 55.2 | Low | 58 Ų | 58 | 91 Ų | 91 | 38% | 0.377 | 53% | 0.525 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 133.9 | 170.4 | -18.2 | 29.7 | 0 | 0 | 0 | 108 | K461 G465 | K461-P463 VanDerWaalsContact O-CD 3.31Å; K461-P463 WeakPolarHBondContact O-CD 3.47Å; P463-G465 VanDerWaalsContact C-N 3.28Å; P463-G465 PolarHBondContact O-N 2.89Å |
| 464 | A | 46 | Very low | 53.2 | Low | 82 Ų | 82 | 89.8 Ų | 89.8 | 68% | 0.678 | 53% | 0.526 | S | S | * | . | trans | -61.3 | 92.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | V462 N466 | V462-A464 PolarHBondContact O-N 3.46Å; A464-N466 PolarHBondContact O-N 3.35Å; A464-N466 VanDerWaalsContact O-N 3.12Å | ||
| 465 | G | 41.7 | Very low | 51.5 | Low | 60 Ų | 60 | 91.7 Ų | 91.7 | 62% | 0.619 | 54% | 0.535 | S | S | * | . | trans | -63.9 | 112.5 | 166.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | P463 R467 | P463-G465 VanDerWaalsContact C-N 3.28Å; P463-G465 PolarHBondContact O-N 2.89Å; G465-R467 PolarHBondContact O-N 3.16Å | ||
| 466 | N | 39 | Very low | 49.6 | Very low | 162 Ų | 162 | 94.9 Ų | 94.9 | 87% | 0.866 | 56% | 0.558 | S | S | * | * | trans | -66.8 | 79.7 | 178.8 | -89.1 | -3.4 | 0 | 0 | 0 | 110.1 | A464 A468 | A464-N466 PolarHBondContact O-N 3.35Å; A464-N466 VanDerWaalsContact O-N 3.12Å; N466-A468 VanDerWaalsContact C-N 3.27Å; N466-A468 PolarHBondContact O-N 3.35Å | ||
| 467 | R | 33 | Very low | 47.8 | Very low | 237 Ų | 237 | 100.8 Ų | 100.8 | 89% | 0.894 | 59% | 0.585 | S | S | * | * | trans | -72.3 | 92 | 157.5 | -77.5 | -171 | 176.3 | -174.2 | -1.1 | 107.3 | G465 S469 | G465-R467 PolarHBondContact O-N 3.16Å; R467-S469 PolarHBondContact O-N 3.07Å; R467-S469 VanDerWaalsContact O-N 3.08Å | ||
| 468 | A | 31.5 | Very low | 46.4 | Very low | 105 Ų | 105 | 107.2 Ų | 107.2 | 87% | 0.868 | 62% | 0.615 | S | S | * | * | trans | -64.7 | 101.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | N466 | N466-A468 VanDerWaalsContact C-N 3.27Å; N466-A468 PolarHBondContact O-N 3.35Å | ||
| 469 | S | 33 | Very low | 45.7 | Very low | 104 Ų | 104 | 112.4 Ų | 112.4 | 73% | 0.727 | 64% | 0.636 | S | S | * | * | trans | -148.6 | 109.2 | 153.5 | 59.4 | 0 | 0 | 0 | 0 | 108.9 | R467 Q471 | R467-S469 PolarHBondContact O-N 3.07Å; R467-S469 VanDerWaalsContact O-N 3.08Å; S469-Q471 PolarHBondContact O-N 2.9Å; S469-Q471 VanDerWaalsContact O-N 3.12Å | ||
| 470 | N | 37 | Very low | 45.5 | Very low | 168 Ų | 168 | 116.5 Ų | 116.5 | 90% | 0.898 | 65% | 0.651 | S | S | * | * | trans | -28.3 | 102.1 | 172.7 | -69.7 | -24.3 | 0 | 0 | 0 | 115.1 | ||||
| 471 | Q | 35.3 | Very low | 45.8 | Very low | 199 Ų | 199 | 117.3 Ų | 117.3 | 93% | 0.93 | 66% | 0.657 | S | S | * | * | trans | -147.6 | 145.6 | 142.7 | -71.9 | -162.1 | -7.9 | 0 | 0 | 109.3 | S469 | S469-Q471 PolarHBondContact O-N 2.9Å; S469-Q471 VanDerWaalsContact O-N 3.12Å | ||
| 472 | G | 31.2 | Very low | 46.4 | Very low | 63 Ų | 63 | 115 Ų | 115 | 65% | 0.649 | 65% | 0.647 | S | S | * | * | trans | -60 | 149 | -155.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | S474 | G472-S474 PolarHBondContact O-N 2.93Å; G472-S474 PolarHBondContact O-OG 2.73Å | ||
| 473 | N | 31 | Very low | 47.5 | Very low | 185 Ų | 185 | 113.2 Ų | 113.2 | 99% | 0.989 | 64% | 0.635 | S | S | * | * | S | Bend | trans | 17.4 | 59.2 | 148.3 | -121.2 | 23.9 | 0 | 0 | 0 | 119.1 | ||
| 474 | S | 32 | Very low | 49.3 | Very low | 104 Ų | 104 | 111.2 Ų | 111.2 | 73% | 0.727 | 62% | 0.623 | S | S | * | * | trans | -129.3 | 128.1 | 158.2 | 48 | 0 | 0 | 0 | 0 | 108 | G472 | G472-S474 PolarHBondContact O-N 2.93Å; G472-S474 PolarHBondContact O-OG 2.73Å | ||
| 475 | Q | 30.2 | Very low | 51.2 | Low | 182 Ų | 182 | 107.3 Ų | 107.3 | 85% | 0.85 | 59% | 0.591 | S | S | * | * | trans | -52.8 | 134.4 | 178.9 | -73.6 | 179.9 | -19.3 | 0 | 0 | 109.6 | Q477 | Q475-Q477 PolarHBondContact O-N 3.49Š| ||
| 476 | P | 35.6 | Very low | 53.6 | Low | 112 Ų | 112 | 106.2 Ų | 106.2 | 73% | 0.727 | 57% | 0.572 | S | S | * | * | trans | -64.1 | 105.3 | 174.8 | 24 | -29.9 | 0 | 0 | 0 | 108.6 | Q478 | P476-Q478 PolarHBondContact O-N 2.77Å; P476-Q478 VanDerWaalsContact O-N 3.1Å | ||
| 477 | Q | 42.2 | Very low | 56.2 | Low | 138 Ų | 138 | 99.6 Ų | 99.6 | 65% | 0.645 | 54% | 0.538 | S | S | * | . | trans | -61.1 | 114.4 | 172.7 | -86.6 | 179.1 | -25.6 | 0 | 0 | 108.6 | Q475 K479 | Q475-Q477 PolarHBondContact O-N 3.49Å; Q477-K479 PolarHBondContact O-N 3.47Å | ||
| 478 | Q | 45.9 | Very low | 58.8 | Low | 139 Ų | 139 | 92.9 Ų | 92.9 | 65% | 0.65 | 52% | 0.516 | S | S | * | . | trans | -60.4 | 121.8 | 178.2 | -64.4 | 172.8 | 4.5 | 0 | 0 | 109.1 | P476 | P476-Q478 PolarHBondContact O-N 2.77Å; P476-Q478 VanDerWaalsContact O-N 3.1Å | ||
| 479 | K | 65.7 | Low | 61.3 | Low | 121 Ų | 121 | 89.4 Ų | 89.4 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | trans | -108.1 | 125.1 | -171.4 | -163.9 | 174.8 | -175.9 | 176 | 0 | 110.4 | V462 Q477 | V462-K479 WeakPolarHBondContact CB-O 3.42Å; V462-K479 WeakPolarHBondContact CG2-O 3.39Å; V462-K479 PolarHBondContact N-O 3.35Å; Q477-K479 PolarHBondContact O-N 3.47Å | ||
| 480 | Y | 76.8 | Confident | 63.9 | Low | 99 Ų | 99 | 84.5 Ų | 84.5 | 39% | 0.388 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 146.7 | 169.5 | -71.8 | -86.7 | 0 | 0 | 0 | 110.2 | V447 L459 E460 K461 | V447-Y480 HydrophobicContact CB-CE1 4.48Å; V447-Y480 HydrophobicContact CG2-CD1 4.19Å; V447-Y480 HydrophobicContact CG2-CE1 3.53Å; L459-Y480 HydrophobicContact CB-CD1 4.21Å; E460-Y480 CarbonylContact O-C 3.09Å; E460-Y480 WeakPolarHBondContact O-CA 3.43Å; K461-Y480 HydrophobicContact CB-CD1 4.01Å; K461-Y480 HydrophobicContact CB-CE1 3.73Å; K461-Y480 HydrophobicContact CG-CE1 4.3Å |
| 481 | T | 84.9 | Confident | 66.4 | Low | 31 Ų | 31 | 76.5 Ų | 76.5 | 19% | 0.19 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 138.1 | 173.7 | 44.1 | 0 | 0 | 0 | 0 | 111.2 | L459 E460 V462 M483 | L459-T481 CarbonylContact C-O 3.57Å; L459-T481 VanDerWaalsContact CA-O 3.28Å; L459-T481 WeakPolarHBondContact CA-O 3.09Å; E460-T481 PolarHBondContact N-O 3.5Å; E460-T481 PolarHBondContact O-N 3.05Å; E460-T481 PolarHBondContact O-OG1 2.88Å; E460-T481 VanDerWaalsContact O-OG1 3.14Å; V462-T481 HydrophobicContact CG2-CG2 3.26Å; V462-T481 WeakPolarHBondContact CG2-OG1 3.44Å; T481-M483 PolarHBondContact O-N 2.98Å |
| 482 | V | 86.6 | Confident | 68.6 | Low | 2 Ų | 2 | 69.9 Ų | 69.9 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 126.9 | 172.6 | -173.5 | 0 | 0 | 0 | 0 | 109.9 | L457 L459 I490 H493 F494 F930 R934 | L457-V482 HydrophobicContact CD1-CG1 3.84Å; L459-V482 HydrophobicContact CD2-CB 4.17Å; L459-V482 HydrophobicContact CD2-CG2 3.72Å; V482-I490 HydrophobicContact CG1-CG1 4.22Å; V482-H493 WeakPolarHBondContact CG2-CD2 3.4Å; V482-F494 HydrophobicContact CG2-CE2 4.27Å; V482-F494 HydrophobicContact CG2-CZ 4.35Å; V482-F930 HydrophobicContact CB-CB 4.39Å; V482-F930 HydrophobicContact CB-CD1 3.87Å; V482-F930 HydrophobicContact CB-CG 4.28Å; V482-F930 HydrophobicContact CG1-CB 3.8Å; V482-F930 HydrophobicContact CG1-CD1 4.11Å; V482-F930 HydrophobicContact CG1-CG 3.99Å; V482-R934 PolarHBondContact O-NH2 2.94Å |
| 483 | M | 86.3 | Confident | 71.1 | Confident | 26 Ų | 26 | 68.3 Ų | 68.3 | 13% | 0.128 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | -49 | 174.6 | -60.5 | -52.5 | -72.4 | 0 | 0 | 110.6 | V458 E460 T481 F930 E931 | V458-M483 HydrophobicContact CB-CB 4.48Å; V458-M483 HydrophobicContact CG1-CB 4.35Å; V458-M483 PolarHBondContact O-N 3.26Å; E460-M483 HydrophobicContact CB-CG 3.58Å; E460-M483 HydrophobicContact CB-SD 3.92Å; E460-M483 WeakPolarHBondContact OE2-CE 3.48Å; T481-M483 PolarHBondContact O-N 2.98Å; M483-F930 WeakPolarHBondContact O-CA 3.44Å; M483-F930 PolarHBondContact O-N 3.46Å; M483-E931 HydrophobicContact CE-CB 3.99Å; M483-E931 HydrophobicContact CE-CG 4.02Å; M483-E931 PolarHBondContact O-N 2.87Å; M483-E931 VanDerWaalsContact O-N 3.12Å |
| 484 | S | 89.4 | Confident | 73.7 | Confident | 17 Ų | 17 | 60 Ų | 60 | 12% | 0.119 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 159.5 | 174.7 | 59 | 0 | 0 | 0 | 0 | 112.4 | L457 V458 V928 | L457-S484 CarbonylContact C-O 3.53Å; L457-S484 WeakPolarHBondContact CA-O 3.4Å; V458-S484 PolarHBondContact N-O 2.62Å; V458-S484 PolarHBondContact O-N 3.42Å; S484-V928 CarbonylContact C-O 3.59Å; S484-V928 WeakPolarHBondContact CA-O 3.46Å; S484-V928 VanDerWaalsContact CB-O 3.26Å; S484-V928 WeakPolarHBondContact CB-O 3.47Å |
| 485 | G | 87.3 | Confident | 75.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | 176 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | V456 I490 V928 | V456-G485 CarbonylContact O-C 3.55Å; V456-G485 WeakPolarHBondContact O-CA 3.33Å; G485-I490 WeakPolarHBondContact O-CD1 3.33Å; G485-V928 PolarHBondContact N-O 2.88Å; G485-V928 VanDerWaalsContact N-O 3.16Å; G485-V928 WeakPolarHBondContact O-CB 3.49Å; G485-V928 PolarHBondContact O-N 3.2Å |
| 486 | T | 90.9 | Very high | 78.2 | Confident | 36 Ų | 36 | 51.2 Ų | 51.2 | 22% | 0.221 | 25% | 0.252 | C | S | . | . | trans | -72.8 | 153.2 | 170.8 | 64.3 | 0 | 0 | 0 | 0 | 110.5 | V456 E488 K489 I490 L927 | V456-T486 PolarHBondContact O-N 3.06Å; T486-E488 PolarHBondContact O-N 3.34Å; T486-K489 PolarHBondContact O-N 3.36Å; T486-K489 WeakPolarHBondContact OG1-CB 3.33Å; T486-K489 WeakPolarHBondContact OG1-CG 3.23Å; T486-K489 PolarHBondContact OG1-N 2.83Å; T486-I490 WeakPolarHBondContact O-CB 3.48Å; T486-I490 VanDerWaalsContact O-CG1 3.25Å; T486-I490 WeakPolarHBondContact O-CG1 3.23Å; T486-I490 PolarHBondContact O-N 3.46Å; T486-L927 HydrophobicContact CG2-CD2 3.75Å | ||
| 487 | P | 94.1 | Very high | 80.3 | Confident | 23 Ų | 23 | 48.8 Ų | 48.8 | 15% | 0.149 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -49.1 | -45.2 | 176.6 | -30.2 | 37.7 | 0 | 0 | 0 | 113.6 | L491 F522 M523 V928 | P487-L491 PolarHBondContact O-N 2.91Å; P487-F522 HydrophobicContact CB-CD2 4.1Å; P487-F522 HydrophobicContact CG-CD2 4.27Å; P487-F522 WeakPolarHBondContact CG-O 3.32Å; P487-M523 HydrophobicContact CB-CB 4.06Å; P487-M523 HydrophobicContact CB-CG 4.05Å; P487-M523 HydrophobicContact CB-SD 4.15Å; P487-V928 HydrophobicContact CG-CG2 4.07Å |
| 488 | E | 87.6 | Confident | 82 | Confident | 96 Ų | 96 | 42.5 Ų | 42.5 | 45% | 0.449 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.5 | -45.4 | -179 | -61.9 | 73.6 | -161.2 | 0 | 0 | 111.5 | T486 L491 E492 | T486-E488 PolarHBondContact O-N 3.34Å; E488-L491 PolarHBondContact O-N 3.49Å; E488-E492 WeakPolarHBondContact O-CB 3.21Å; E488-E492 PolarHBondContact O-N 2.68Å |
| 489 | K | 85 | Confident | 83.5 | Confident | 33 Ų | 33 | 41 Ų | 41 | 14% | 0.143 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -71.3 | -31.3 | 179.6 | -73.9 | -61.4 | -178.5 | -171.2 | 0 | 113.7 | E451 V456 L457 T486 E492 H493 | E451-K489 WeakPolarHBondContact OE1-CE 3.36Å; E451-K489 IonicContact OE1-NZ 2.77Å; E451-K489 PolarHBondContact OE1-NZ 3.42Å; E451-K489 VanDerWaalsContact OE2-CE 3.3Å; E451-K489 WeakPolarHBondContact OE2-CE 3.42Å; V456-K489 HydrophobicContact CB-CG 4.06Å; V456-K489 HydrophobicContact CG2-CG 4.05Å; L457-K489 HydrophobicContact CB-CB 4.45Å; T486-K489 PolarHBondContact O-N 3.36Å; T486-K489 WeakPolarHBondContact OG1-CB 3.33Å; T486-K489 WeakPolarHBondContact OG1-CG 3.23Å; T486-K489 PolarHBondContact OG1-N 2.83Å; K489-E492 WeakPolarHBondContact CD-OE2 3.49Å; K489-E492 IonicContact NZ-OE1 3.62Å; K489-E492 PolarHBondContact NZ-OE1 3.36Å; K489-E492 IonicContact NZ-OE2 3.52Å; K489-E492 PolarHBondContact NZ-OE2 2.74Å; K489-H493 VanDerWaalsContact O-CB 3.31Å; K489-H493 WeakPolarHBondContact O-CB 3.4Å; K489-H493 PolarHBondContact O-N 3.29Å |
| 490 | I | 87.2 | Confident | 84 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -47.6 | 171.1 | -68.2 | 171.4 | 0 | 0 | 0 | 109.6 | L457 V482 G485 T486 H493 F494 F515 F522 V928 F930 | L457-I490 HydrophobicContact CD1-CG1 3.99Å; V482-I490 HydrophobicContact CG1-CG1 4.22Å; G485-I490 WeakPolarHBondContact O-CD1 3.33Å; T486-I490 WeakPolarHBondContact O-CB 3.48Å; T486-I490 VanDerWaalsContact O-CG1 3.25Å; T486-I490 WeakPolarHBondContact O-CG1 3.23Å; T486-I490 PolarHBondContact O-N 3.46Å; I490-H493 PolarHBondContact O-N 3.37Å; I490-F494 HydrophobicContact CG2-CD2 3.72Å; I490-F494 HydrophobicContact CG2-CE2 3.71Å; I490-F494 VanDerWaalsContact O-CD2 3.22Å; I490-F494 WeakPolarHBondContact O-CD2 3.21Å; I490-F494 PolarHBondContact O-N 3.19Å; I490-F515 HydrophobicContact CG2-CD2 3.72Å; I490-F515 HydrophobicContact CG2-CE2 4Å; I490-F522 HydrophobicContact CG2-CE2 4.48Å; I490-F522 HydrophobicContact CG2-CZ 4.43Å; I490-V928 HydrophobicContact CD1-CB 3.8Å; I490-V928 HydrophobicContact CD1-CG1 4.22Å; I490-V928 HydrophobicContact CD1-CG2 4.35Å; I490-F930 HydrophobicContact CD1-CB 4.47Å; I490-F930 HydrophobicContact CD1-CD2 4.08Å; I490-F930 HydrophobicContact CG2-CD2 4.02Å; I490-F930 HydrophobicContact CG2-CE2 3.91Å |
| 491 | L | 89.3 | Confident | 84 | Confident | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -58.7 | -49 | 176.4 | 171.7 | 62.2 | 0 | 0 | 0 | 111.8 | P487 E488 H493 F494 L495 F515 M523 L528 A531 L532 L562 | P487-L491 PolarHBondContact O-N 2.91Å; E488-L491 PolarHBondContact O-N 3.49Å; L491-H493 PolarHBondContact O-N 3.2Å; L491-F494 PolarHBondContact O-N 2.85Å; L491-L495 HydrophobicContact CD1-CD1 3.94Å; L491-L495 HydrophobicContact CD1-CG 4.07Å; L491-L495 HydrophobicContact CG-CD1 4.01Å; L491-L495 WeakPolarHBondContact O-CG 3.33Å; L491-L495 PolarHBondContact O-N 3.46Å; L491-F515 HydrophobicContact CB-CE2 4.18Å; L491-F515 HydrophobicContact CB-CZ 3.95Å; L491-F515 HydrophobicContact CD1-CE1 3.86Å; L491-F515 HydrophobicContact CD1-CZ 3.66Å; L491-F515 HydrophobicContact CG-CZ 4.36Å; L491-M523 HydrophobicContact CB-SD 4.34Å; L491-M523 HydrophobicContact CD2-CE 3.92Å; L491-M523 HydrophobicContact CD2-SD 4.2Å; L491-L528 HydrophobicContact CD1-CD1 4.09Å; L491-L528 HydrophobicContact CD2-CD1 4Å; L491-A531 HydrophobicContact CD2-CB 3.77Å; L491-L532 HydrophobicContact CD1-CD2 3.97Å; L491-L532 HydrophobicContact CD2-CD2 4.43Å; L491-L562 HydrophobicContact CD1-CD1 3.98Å |
| 492 | E | 81.4 | Confident | 83.5 | Confident | 59 Ų | 59 | 40.1 Ų | 40.1 | 28% | 0.276 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.3 | -50.1 | 177.6 | -174.3 | -178.7 | 147.4 | 0 | 0 | 110.8 | E488 K489 F494 L495 E496 | E488-E492 WeakPolarHBondContact O-CB 3.21Å; E488-E492 PolarHBondContact O-N 2.68Å; K489-E492 WeakPolarHBondContact CD-OE2 3.49Å; K489-E492 IonicContact NZ-OE1 3.62Å; K489-E492 PolarHBondContact NZ-OE1 3.36Å; K489-E492 IonicContact NZ-OE2 3.52Å; K489-E492 PolarHBondContact NZ-OE2 2.74Å; E492-F494 PolarHBondContact O-N 3.43Å; E492-L495 PolarHBondContact O-N 3.04Å; E492-E496 WeakPolarHBondContact O-CG 3.31Å; E492-E496 PolarHBondContact O-N 3.12Å |
| 493 | H | 83.3 | Confident | 82.8 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -44.8 | 178.1 | -179.5 | 77.8 | 0 | 0 | 0 | 112.8 | L457 V482 K489 I490 L491 E496 T497 | L457-H493 HydrophobicContact CD2-CB 3.8Å; V482-H493 WeakPolarHBondContact CG2-CD2 3.4Å; K489-H493 VanDerWaalsContact O-CB 3.31Å; K489-H493 WeakPolarHBondContact O-CB 3.4Å; K489-H493 PolarHBondContact O-N 3.29Å; I490-H493 PolarHBondContact O-N 3.37Å; L491-H493 PolarHBondContact O-N 3.2Å; H493-E496 PolarHBondContact O-N 3.27Å; H493-T497 WeakPolarHBondContact O-CB 3.46Å; H493-T497 VanDerWaalsContact O-CG2 3.27Å; H493-T497 WeakPolarHBondContact O-CG2 3.47Å; H493-T497 PolarHBondContact O-N 2.94Å; H493-T497 VanDerWaalsContact O-N 3.09Å; H493-T497 PolarHBondContact O-OG1 2.94Å |
| 494 | F | 85 | Confident | 82.3 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.039 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 177.6 | -83.3 | -68.1 | 0 | 0 | 0 | 112.1 | V482 I490 L491 E492 T497 I498 V511 L512 F515 F930 | V482-F494 HydrophobicContact CG2-CE2 4.27Å; V482-F494 HydrophobicContact CG2-CZ 4.35Å; I490-F494 HydrophobicContact CG2-CD2 3.72Å; I490-F494 HydrophobicContact CG2-CE2 3.71Å; I490-F494 VanDerWaalsContact O-CD2 3.22Å; I490-F494 WeakPolarHBondContact O-CD2 3.21Å; I490-F494 PolarHBondContact O-N 3.19Å; L491-F494 PolarHBondContact O-N 2.85Å; E492-F494 PolarHBondContact O-N 3.43Å; F494-T497 PolarHBondContact O-OG1 3.49Å; F494-I498 WeakPolarHBondContact O-CG1 3.49Å; F494-I498 PolarHBondContact O-N 3.42Å; F494-V511 HydrophobicContact CD1-CG1 3.94Å; F494-V511 HydrophobicContact CE1-CG1 3.74Å; F494-V511 VanDerWaalsContact CE1-O 3.27Å; F494-V511 WeakPolarHBondContact CE1-O 3.16Å; F494-L512 HydrophobicContact CB-CD2 4.09Å; F494-L512 HydrophobicContact CD1-CD2 4.13Å; F494-F515 HydrophobicContact CD1-CB 4.46Å; F494-F515 HydrophobicContact CD2-CB 3.7Å; F494-F515 AromaticContact CD2-CD2 3.81Å; F494-F515 HydrophobicContact CD2-CD2 3.81Å; F494-F515 AromaticContact CD2-CG 3.9Å; F494-F515 HydrophobicContact CD2-CG 3.9Å; F494-F515 HydrophobicContact CE2-CB 3.8Å; F494-F515 HydrophobicContact CE2-CD2 4.24Å; F494-F515 HydrophobicContact CE2-CG 4.37Å; F494-F515 HydrophobicContact CG-CB 4.07Å; F494-F515 HydrophobicContact CG-CG 4.36Å; F494-F515 HydrophobicContact CZ-CB 4.22Å; F494-F930 AromaticContact CE2-CE1 3.74Å; F494-F930 HydrophobicContact CE2-CE1 3.74Å; F494-F930 HydrophobicContact CE2-CE2 4Å; F494-F930 AromaticContact CE2-CZ 3.41Å; F494-F930 HydrophobicContact CE2-CZ 3.41Å; F494-F930 VanDerWaalsContact CE2-CZ 3.41Å; F494-F930 AromaticContact CZ-CE1 3.55Å; F494-F930 HydrophobicContact CZ-CE1 3.55Å; F494-F930 AromaticContact CZ-CZ 3.56Å; F494-F930 HydrophobicContact CZ-CZ 3.56Å |
| 495 | L | 78.9 | Confident | 81.6 | Confident | 4 Ų | 4 | 49.3 Ų | 49.3 | 2% | 0.021 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 174.3 | -76.7 | 170.8 | 0 | 0 | 0 | 111.7 | L491 E492 T497 I498 H535 R558 V559 L562 | L491-L495 HydrophobicContact CD1-CD1 3.94Å; L491-L495 HydrophobicContact CD1-CG 4.07Å; L491-L495 HydrophobicContact CG-CD1 4.01Å; L491-L495 WeakPolarHBondContact O-CG 3.33Å; L491-L495 PolarHBondContact O-N 3.46Å; E492-L495 PolarHBondContact O-N 3.04Å; L495-T497 VanDerWaalsContact C-N 3.31Å; L495-T497 PolarHBondContact O-N 3.05Å; L495-I498 HydrophobicContact CD2-CD1 4.27Å; L495-I498 WeakPolarHBondContact O-CB 3.38Å; L495-I498 PolarHBondContact O-N 3.46Å; L495-H535 HydrophobicContact CD1-CB 3.98Å; L495-R558 VanDerWaalsContact O-CD 3.3Å; L495-R558 WeakPolarHBondContact O-CD 3.25Å; L495-V559 HydrophobicContact CD1-CG2 4.3Å; L495-V559 HydrophobicContact CD2-CB 4.43Å; L495-V559 HydrophobicContact CD2-CG2 3.91Å; L495-L562 HydrophobicContact CD2-CB 3.99Å; L495-L562 HydrophobicContact CD2-CD1 3.66Å; L495-L562 HydrophobicContact CD2-CG 4.41Å; L495-L562 HydrophobicContact CG-CD1 4.04Å |
| 496 | E | 78.7 | Confident | 81.1 | Confident | 98 Ų | 98 | 57.6 Ų | 57.6 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.1 | -32.5 | -177.4 | -71.6 | -176.2 | 157.6 | 0 | 0 | 113.3 | E492 H493 I498 | E492-E496 WeakPolarHBondContact O-CG 3.31Å; E492-E496 PolarHBondContact O-N 3.12Å; H493-E496 PolarHBondContact O-N 3.27Å; E496-I498 VanDerWaalsContact C-N 3.33Å |
| 497 | T | 79.8 | Confident | 80.4 | Confident | 62 Ų | 62 | 58.4 Ų | 58.4 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5 | -178.9 | 55.4 | 0 | 0 | 0 | 0 | 114 | H493 F494 L495 R499 | H493-T497 WeakPolarHBondContact O-CB 3.46Å; H493-T497 VanDerWaalsContact O-CG2 3.27Å; H493-T497 WeakPolarHBondContact O-CG2 3.47Å; H493-T497 PolarHBondContact O-N 2.94Å; H493-T497 VanDerWaalsContact O-N 3.09Å; H493-T497 PolarHBondContact O-OG1 2.94Å; F494-T497 PolarHBondContact O-OG1 3.49Å; L495-T497 VanDerWaalsContact C-N 3.31Å; L495-T497 PolarHBondContact O-N 3.05Å; T497-R499 PolarHBondContact O-N 3.36Å |
| 498 | I | 77.6 | Confident | 79.6 | Confident | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 31% | 0.306 | C | S | . | . | trans | -62.2 | 123 | 173.7 | -74.2 | 166.2 | 0 | 0 | 0 | 110.2 | F494 L495 E496 L500 T508 L512 R558 R561 L562 | F494-I498 WeakPolarHBondContact O-CG1 3.49Å; F494-I498 PolarHBondContact O-N 3.42Å; L495-I498 HydrophobicContact CD2-CD1 4.27Å; L495-I498 WeakPolarHBondContact O-CB 3.38Å; L495-I498 PolarHBondContact O-N 3.46Å; E496-I498 VanDerWaalsContact C-N 3.33Å; I498-L500 HydrophobicContact CG2-CD2 3.93Å; I498-L500 HydrophobicContact CG2-CG 4.5Å; I498-T508 HydrophobicContact CB-CG2 4.36Å; I498-T508 HydrophobicContact CG1-CG2 4.2Å; I498-T508 HydrophobicContact CG2-CG2 4Å; I498-L512 HydrophobicContact CD1-CD1 3.93Å; I498-L512 HydrophobicContact CD1-CD2 3.95Å; I498-L512 HydrophobicContact CG1-CD1 3.94Å; I498-L512 HydrophobicContact CG1-CD2 3.8Å; I498-L512 HydrophobicContact CG1-CG 4.24Å; I498-R558 HydrophobicContact CB-CB 4.24Å; I498-R558 HydrophobicContact CB-CG 3.91Å; I498-R558 HydrophobicContact CD1-CB 4.21Å; I498-R558 WeakPolarHBondContact CD1-O 3.43Å; I498-R558 HydrophobicContact CG2-CB 4.24Å; I498-R558 HydrophobicContact CG2-CG 3.85Å; I498-R561 HydrophobicContact CG2-CB 4.37Å; I498-R561 HydrophobicContact CG2-CG 4.22Å; I498-L562 HydrophobicContact CD1-CB 4.06Å | ||
| 499 | R | 77.8 | Confident | 79.2 | Confident | 106 Ų | 106 | 54.9 Ų | 54.9 | 40% | 0.4 | 29% | 0.294 | S | S | . | . | trans | -95.4 | 124.5 | 170.9 | -57.4 | -171.2 | -177 | -164.5 | 1.9 | 109.4 | T497 E501 L504 T508 | T497-R499 PolarHBondContact O-N 3.36Å; R499-E501 VanDerWaalsContact C-N 3.33Å; R499-L504 HydrophobicContact CB-CB 4.43Å; R499-L504 HydrophobicContact CB-CD1 4.25Å; R499-L504 HydrophobicContact CG-CD1 4.44Å; R499-T508 PolarHBondContact O-OG1 3.24Å; R499-T508 VanDerWaalsContact O-OG1 3.12Å | ||
| 500 | L | 75.9 | Confident | 78.9 | Confident | 43 Ų | 43 | 56.7 Ų | 56.7 | 23% | 0.225 | 31% | 0.311 | C | S | . | . | trans | -89.9 | 1.1 | -177.4 | -61 | 172.7 | 0 | 0 | 0 | 112.9 | I498 N554 R557 R558 | I498-L500 HydrophobicContact CG2-CD2 3.93Å; I498-L500 HydrophobicContact CG2-CG 4.5Å; L500-N554 HydrophobicContact CD1-CB 4.48Å; L500-R557 HydrophobicContact CD1-CB 3.73Å; L500-R557 HydrophobicContact CD2-CB 3.99Å; L500-R558 HydrophobicContact CD1-CG 4.25Å; L500-R558 HydrophobicContact CD2-CG 4.14Å; L500-R558 HydrophobicContact CG-CG 4.26Å | ||
| 501 | E | 77.4 | Confident | 78.6 | Confident | 110 Ų | 110 | 58.3 Ų | 58.3 | 51% | 0.514 | 32% | 0.321 | S | S | . | . | trans | -71.9 | 124.1 | 178.6 | -68.2 | 143.9 | -159.9 | 0 | 0 | 110.1 | R499 T503 L504 | R499-E501 VanDerWaalsContact C-N 3.33Å; E501-T503 PolarHBondContact O-N 3.22Å; E501-T503 VanDerWaalsContact O-N 3.1Å; E501-L504 HydrophobicContact CB-CG 4.47Å; E501-L504 PolarHBondContact O-N 3.31Å; E501-L504 WeakPolarHBondContact OE2-CD1 3.16Å | ||
| 502 | A | 74 | Confident | 78.5 | Confident | 80 Ų | 80 | 58.3 Ų | 58.3 | 66% | 0.661 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -57.9 | -29.6 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L504 N505 | A502-L504 PolarHBondContact O-N 3.39Å; A502-N505 PolarHBondContact O-ND2 3.2Å |
| 503 | T | 73 | Confident | 79 | Confident | 132 Ų | 132 | 56.3 Ų | 56.3 | 81% | 0.81 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -67.4 | -18 | 175.9 | 50.7 | 0 | 0 | 0 | 0 | 113.6 | E501 | E501-T503 PolarHBondContact O-N 3.22Å; E501-T503 VanDerWaalsContact O-N 3.1Å |
| 504 | L | 73.9 | Confident | 79.4 | Confident | 48 Ų | 48 | 55.4 Ų | 55.4 | 25% | 0.251 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -112 | 11 | -177.4 | -61.7 | -176.3 | 0 | 0 | 0 | 113.5 | R499 E501 A502 E506 A507 T508 | R499-L504 HydrophobicContact CB-CB 4.43Å; R499-L504 HydrophobicContact CB-CD1 4.25Å; R499-L504 HydrophobicContact CG-CD1 4.44Å; E501-L504 HydrophobicContact CB-CG 4.47Å; E501-L504 PolarHBondContact O-N 3.31Å; E501-L504 WeakPolarHBondContact OE2-CD1 3.16Å; A502-L504 PolarHBondContact O-N 3.39Å; L504-E506 PolarHBondContact O-N 3.46Å; L504-A507 PolarHBondContact O-N 3.43Å; L504-A507 VanDerWaalsContact O-N 3.11Å; L504-T508 PolarHBondContact O-N 2.9Å; L504-T508 PolarHBondContact O-OG1 3.36Å |
| 505 | N | 76.4 | Confident | 79.9 | Confident | 59 Ų | 59 | 55 Ų | 55 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53.4 | -49.3 | -177.3 | -81 | -13.6 | 0 | 0 | 0 | 113.2 | A502 A507 T508 D509 | A502-N505 PolarHBondContact O-ND2 3.2Å; N505-A507 VanDerWaalsContact C-N 3.33Å; N505-A507 PolarHBondContact O-N 2.74Å; N505-T508 PolarHBondContact O-N 3.05Å; N505-D509 PolarHBondContact O-N 3.49Å |
| 506 | E | 76.9 | Confident | 80.7 | Confident | 173 Ų | 173 | 55 Ų | 55 | 81% | 0.808 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -65.1 | -36.8 | 179.3 | -64.4 | -175.4 | 174.5 | 0 | 0 | 112.5 | L504 D509 S510 | L504-E506 PolarHBondContact O-N 3.46Å; E506-D509 PolarHBondContact O-N 3.05Å; E506-S510 WeakPolarHBondContact O-CB 3.44Å; E506-S510 PolarHBondContact O-N 2.63Å |
| 507 | A | 75.7 | Confident | 81.6 | Confident | 53 Ų | 53 | 50.3 Ų | 50.3 | 44% | 0.438 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.6 | -39.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L504 N505 V511 | L504-A507 PolarHBondContact O-N 3.43Å; L504-A507 VanDerWaalsContact O-N 3.11Å; N505-A507 VanDerWaalsContact C-N 3.33Å; N505-A507 PolarHBondContact O-N 2.74Å; A507-V511 WeakPolarHBondContact O-CG2 3.34Å; A507-V511 PolarHBondContact O-N 2.88Å |
| 508 | T | 76.9 | Confident | 82.5 | Confident | 8 Ų | 8 | 47.4 Ų | 47.4 | 5% | 0.049 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -46.6 | 173.6 | -63.5 | 0 | 0 | 0 | 0 | 111 | I498 R499 L504 N505 S510 V511 L512 | I498-T508 HydrophobicContact CB-CG2 4.36Å; I498-T508 HydrophobicContact CG1-CG2 4.2Å; I498-T508 HydrophobicContact CG2-CG2 4Å; R499-T508 PolarHBondContact O-OG1 3.24Å; R499-T508 VanDerWaalsContact O-OG1 3.12Å; L504-T508 PolarHBondContact O-N 2.9Å; L504-T508 PolarHBondContact O-OG1 3.36Å; N505-T508 PolarHBondContact O-N 3.05Å; T508-S510 VanDerWaalsContact C-N 3.29Å; T508-S510 PolarHBondContact O-N 3.33Å; T508-V511 WeakPolarHBondContact O-CB 3.4Å; T508-V511 PolarHBondContact O-N 3.07Å; T508-V511 VanDerWaalsContact O-N 3.08Å; T508-L512 HydrophobicContact CG2-CD1 4.14Å; T508-L512 HydrophobicContact CG2-CG 4.47Å; T508-L512 WeakPolarHBondContact O-CG 3.37Å; T508-L512 PolarHBondContact O-N 2.81Å |
| 509 | D | 78.9 | Confident | 83.5 | Confident | 38 Ų | 38 | 47.1 Ų | 47.1 | 20% | 0.203 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.7 | -36.8 | -178.8 | -67.2 | -6.9 | 0 | 0 | 0 | 111.8 | N505 E506 V511 L512 N513 R561 Q565 | N505-D509 PolarHBondContact O-N 3.49Å; E506-D509 PolarHBondContact O-N 3.05Å; D509-V511 VanDerWaalsContact C-N 3.34Å; D509-V511 PolarHBondContact O-N 3.06Å; D509-L512 PolarHBondContact O-N 3.21Å; D509-N513 WeakPolarHBondContact O-CB 3.3Å; D509-N513 PolarHBondContact O-N 3.41Å; D509-R561 IonicContact OD1-CZ 3.96Å; D509-R561 VanDerWaalsContact OD1-CZ 3.28Å; D509-R561 IonicContact OD1-NE 3.37Å; D509-R561 PolarHBondContact OD1-NE 3.21Å; D509-R561 VanDerWaalsContact OD1-NE 3.17Å; D509-R561 IonicContact OD1-NH2 3.18Å; D509-R561 PolarHBondContact OD1-NH2 3.21Å; D509-R561 IonicContact OD2-CZ 3.84Å; D509-R561 IonicContact OD2-NH2 3.82Å; D509-R561 PolarHBondContact OD2-NH2 3.12Å; D509-Q565 VanDerWaalsContact CG-CD 3.46Å; D509-Q565 VanDerWaalsContact CG-NE2 3.29Å; D509-Q565 VanDerWaalsContact OD1-CD 3.3Å; D509-Q565 PolarHBondContact OD1-NE2 3.13Å; D509-Q565 PolarHBondContact OD2-NE2 3.17Å; D509-Q565 VanDerWaalsContact OD2-NE2 3.13Å |
| 510 | S | 79.6 | Confident | 84.4 | Confident | 71 Ų | 71 | 42.8 Ų | 42.8 | 50% | 0.497 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62 | -38.9 | 173.7 | -175.2 | 0 | 0 | 0 | 0 | 112.7 | E506 T508 | E506-S510 WeakPolarHBondContact O-CB 3.44Å; E506-S510 PolarHBondContact O-N 2.63Å; T508-S510 VanDerWaalsContact C-N 3.29Å; T508-S510 PolarHBondContact O-N 3.33Å |
| 511 | V | 79.6 | Confident | 85.5 | Confident | 34 Ų | 34 | 42 Ų | 42 | 21% | 0.206 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69 | -44.5 | 177.6 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | F494 A507 T508 D509 N513 | F494-V511 HydrophobicContact CD1-CG1 3.94Å; F494-V511 HydrophobicContact CE1-CG1 3.74Å; F494-V511 VanDerWaalsContact CE1-O 3.27Å; F494-V511 WeakPolarHBondContact CE1-O 3.16Å; A507-V511 WeakPolarHBondContact O-CG2 3.34Å; A507-V511 PolarHBondContact O-N 2.88Å; T508-V511 WeakPolarHBondContact O-CB 3.4Å; T508-V511 PolarHBondContact O-N 3.07Å; T508-V511 VanDerWaalsContact O-N 3.08Å; D509-V511 VanDerWaalsContact C-N 3.34Å; D509-V511 PolarHBondContact O-N 3.06Å; V511-N513 VanDerWaalsContact C-N 3.26Å; V511-N513 PolarHBondContact O-N 3.46Å |
| 512 | L | 87.1 | Confident | 86.4 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.3 | -23.8 | -178.5 | -65.7 | 178.4 | 0 | 0 | 0 | 112.9 | F494 I498 T508 D509 D514 F515 I516 L562 Q565 | F494-L512 HydrophobicContact CB-CD2 4.09Å; F494-L512 HydrophobicContact CD1-CD2 4.13Å; I498-L512 HydrophobicContact CD1-CD1 3.93Å; I498-L512 HydrophobicContact CD1-CD2 3.95Å; I498-L512 HydrophobicContact CG1-CD1 3.94Å; I498-L512 HydrophobicContact CG1-CD2 3.8Å; I498-L512 HydrophobicContact CG1-CG 4.24Å; T508-L512 HydrophobicContact CG2-CD1 4.14Å; T508-L512 HydrophobicContact CG2-CG 4.47Å; T508-L512 WeakPolarHBondContact O-CG 3.37Å; T508-L512 PolarHBondContact O-N 2.81Å; D509-L512 PolarHBondContact O-N 3.21Å; L512-D514 VanDerWaalsContact C-N 3.29Å; L512-D514 PolarHBondContact O-N 3.37Å; L512-F515 PolarHBondContact O-N 3.18Å; L512-F515 VanDerWaalsContact O-N 3.13Å; L512-I516 HydrophobicContact CB-CD1 3.75Å; L512-I516 HydrophobicContact CB-CG1 4.42Å; L512-I516 WeakPolarHBondContact O-CB 3.19Å; L512-I516 WeakPolarHBondContact O-CG1 3.31Å; L512-I516 PolarHBondContact O-N 2.86Å; L512-L562 HydrophobicContact CD2-CD1 4.41Å; L512-Q565 HydrophobicContact CD1-CG 4.35Å |
| 513 | N | 91.7 | Very high | 87.6 | Confident | 17 Ų | 17 | 33.7 Ų | 33.7 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.5 | -39.2 | -170.9 | -155.5 | -106.9 | 0 | 0 | 0 | 113.3 | D509 V511 I516 M517 R941 R944 | D509-N513 WeakPolarHBondContact O-CB 3.3Å; D509-N513 PolarHBondContact O-N 3.41Å; V511-N513 VanDerWaalsContact C-N 3.26Å; V511-N513 PolarHBondContact O-N 3.46Å; N513-I516 PolarHBondContact O-N 2.79Å; N513-M517 VanDerWaalsContact O-CB 3.23Å; N513-M517 WeakPolarHBondContact O-CB 3.42Å; N513-M517 PolarHBondContact O-N 3.42Å; N513-R941 WeakPolarHBondContact OD1-CD 3.44Å; N513-R944 PolarHBondContact ND2-NH1 3.47Å; N513-R944 VanDerWaalsContact ND2-NH1 3.11Å; N513-R944 PolarHBondContact ND2-NH2 3.25Å; N513-R944 PolarHBondContact OD1-NH1 3.32Å; N513-R944 PolarHBondContact OD1-NH2 2.91Å |
| 514 | D | 92.8 | Very high | 88.7 | Confident | 12 Ų | 12 | 29.7 Ų | 29.7 | 6% | 0.064 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.6 | -45.9 | 178.8 | -68.8 | -21.3 | 0 | 0 | 0 | 110.9 | L512 M518 F930 R934 R941 | L512-D514 VanDerWaalsContact C-N 3.29Å; L512-D514 PolarHBondContact O-N 3.37Å; D514-M518 VanDerWaalsContact O-CB 3.24Å; D514-M518 WeakPolarHBondContact O-CB 3.38Å; D514-M518 VanDerWaalsContact O-CG 3.24Å; D514-M518 WeakPolarHBondContact O-CG 3.46Å; D514-M518 PolarHBondContact O-N 3.23Å; D514-M518 VanDerWaalsContact O-N 3.15Å; D514-F930 HydrophobicContact CB-CE1 4.06Å; D514-F930 HydrophobicContact CB-CZ 4Å; D514-R934 WeakPolarHBondContact OD2-CG 3.15Å; D514-R934 IonicContact OD2-NE 3.58Å; D514-R934 PolarHBondContact OD2-NE 3.14Å; D514-R941 IonicContact OD1-CZ 2.72Å; D514-R941 IonicContact OD1-NE 3.14Å; D514-R941 PolarHBondContact OD1-NE 3.09Å; D514-R941 IonicContact OD1-NH2 2.6Å; D514-R941 PolarHBondContact OD1-NH2 3.05Å; D514-R941 IonicContact OD2-NH2 3.07Å |
| 515 | F | 95.3 | Very high | 89.8 | Confident | 1 Ų | 1 | 28 Ų | 28 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.6 | -50.5 | 177.5 | 176.2 | -96.8 | 0 | 0 | 0 | 111.1 | I490 L491 F494 L512 M517 M518 H519 F522 L528 L562 F930 | I490-F515 HydrophobicContact CG2-CD2 3.72Å; I490-F515 HydrophobicContact CG2-CE2 4Å; L491-F515 HydrophobicContact CB-CE2 4.18Å; L491-F515 HydrophobicContact CB-CZ 3.95Å; L491-F515 HydrophobicContact CD1-CE1 3.86Å; L491-F515 HydrophobicContact CD1-CZ 3.66Å; L491-F515 HydrophobicContact CG-CZ 4.36Å; F494-F515 HydrophobicContact CD1-CB 4.46Å; F494-F515 HydrophobicContact CD2-CB 3.7Å; F494-F515 AromaticContact CD2-CD2 3.81Å; F494-F515 HydrophobicContact CD2-CD2 3.81Å; F494-F515 AromaticContact CD2-CG 3.9Å; F494-F515 HydrophobicContact CD2-CG 3.9Å; F494-F515 HydrophobicContact CE2-CB 3.8Å; F494-F515 HydrophobicContact CE2-CD2 4.24Å; F494-F515 HydrophobicContact CE2-CG 4.37Å; F494-F515 HydrophobicContact CG-CB 4.07Å; F494-F515 HydrophobicContact CG-CG 4.36Å; F494-F515 HydrophobicContact CZ-CB 4.22Å; L512-F515 PolarHBondContact O-N 3.18Å; L512-F515 VanDerWaalsContact O-N 3.13Å; F515-M517 VanDerWaalsContact C-N 3.28Å; F515-M517 PolarHBondContact O-N 3.08Å; F515-M518 PolarHBondContact O-N 2.87Å; F515-M518 VanDerWaalsContact O-N 3.16Å; F515-H519 HydrophobicContact CE1-CB 4.39Å; F515-H519 HydrophobicContact CE2-CB 4.4Å; F515-H519 HydrophobicContact CZ-CB 4.21Å; F515-H519 WeakPolarHBondContact O-CB 3.32Å; F515-H519 PolarHBondContact O-N 2.8Å; F515-F522 HydrophobicContact CD2-CE2 4.37Å; F515-F522 AromaticContact CD2-CZ 3.84Å; F515-F522 HydrophobicContact CD2-CZ 3.84Å; F515-F522 AromaticContact CE2-CE2 3.95Å; F515-F522 HydrophobicContact CE2-CE2 3.95Å; F515-F522 AromaticContact CE2-CZ 3.86Å; F515-F522 HydrophobicContact CE2-CZ 3.86Å; F515-L528 HydrophobicContact CE1-CD1 4.23Å; F515-L528 HydrophobicContact CZ-CD1 4.04Å; F515-L562 HydrophobicContact CD1-CD1 4.47Å; F515-L562 HydrophobicContact CE1-CD1 4.35Å; F515-F930 HydrophobicContact CB-CZ 4.23Å; F515-F930 HydrophobicContact CD2-CE2 4.5Å |
| 516 | I | 96.5 | Very high | 90.8 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.5 | -32.8 | -175.4 | -69 | 172.7 | 0 | 0 | 0 | 112.1 | L512 N513 H519 Q565 W566 M569 | L512-I516 HydrophobicContact CB-CD1 3.75Å; L512-I516 HydrophobicContact CB-CG1 4.42Å; L512-I516 WeakPolarHBondContact O-CB 3.19Å; L512-I516 WeakPolarHBondContact O-CG1 3.31Å; L512-I516 PolarHBondContact O-N 2.86Å; N513-I516 PolarHBondContact O-N 2.79Å; I516-H519 PolarHBondContact O-CD2 2.86Å; I516-Q565 HydrophobicContact CD1-CB 3.29Å; I516-Q565 HydrophobicContact CD1-CG 4.46Å; I516-W566 HydrophobicContact CG2-CB 4.35Å; I516-M569 HydrophobicContact CG2-CB 3.42Å; I516-M569 VanDerWaalsContact CG2-CB 3.42Å; I516-M569 HydrophobicContact CG2-CE 4.24Å; I516-M569 HydrophobicContact CG2-CG 3.82Å |
| 517 | M | 97.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -76.9 | -35.6 | 176.5 | -169.9 | 179.4 | -67.9 | 0 | 0 | 112.2 | N513 F515 M569 E775 L776 I779 A937 A940 R941 | N513-M517 VanDerWaalsContact O-CB 3.23Å; N513-M517 WeakPolarHBondContact O-CB 3.42Å; N513-M517 PolarHBondContact O-N 3.42Å; F515-M517 VanDerWaalsContact C-N 3.28Å; F515-M517 PolarHBondContact O-N 3.08Å; M517-M569 HydrophobicContact CB-CE 3.85Å; M517-M569 HydrophobicContact CE-CE 3.76Å; M517-M569 HydrophobicContact CE-SD 4.41Å; M517-M569 HydrophobicContact CG-CE 4.27Å; M517-M569 HydrophobicContact CG-SD 4.49Å; M517-E775 WeakPolarHBondContact CE-OE2 3.46Å; M517-L776 HydrophobicContact CG-CD2 4.32Å; M517-I779 HydrophobicContact CG-CD1 4.4Å; M517-I779 HydrophobicContact CG-CG1 4.3Å; M517-I779 HydrophobicContact SD-CD1 4.41Å; M517-A937 HydrophobicContact SD-CB 4.07Å; M517-A940 HydrophobicContact CE-CB 4.14Å; M517-A940 HydrophobicContact SD-CB 3.43Å; M517-A940 WeakPolarHBondContact SD-CB 3.27Å; M517-R941 HydrophobicContact CE-CG 4.13Å |
| 518 | M | 98.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -104.2 | -9.7 | -166.9 | -58.8 | -55.2 | -58.3 | 0 | 0 | 114.7 | D514 F515 C520 V521 F522 I779 F783 M933 I936 A937 | D514-M518 VanDerWaalsContact O-CB 3.24Å; D514-M518 WeakPolarHBondContact O-CB 3.38Å; D514-M518 VanDerWaalsContact O-CG 3.24Å; D514-M518 WeakPolarHBondContact O-CG 3.46Å; D514-M518 PolarHBondContact O-N 3.23Å; D514-M518 VanDerWaalsContact O-N 3.15Å; F515-M518 PolarHBondContact O-N 2.87Å; F515-M518 VanDerWaalsContact O-N 3.16Å; M518-C520 PolarHBondContact O-N 3.17Å; M518-C520 VanDerWaalsContact O-N 3.1Å; M518-V521 HydrophobicContact CE-CG2 3.95Å; M518-V521 WeakPolarHBondContact O-CB 3.29Å; M518-V521 PolarHBondContact O-N 2.81Å; M518-F522 HydrophobicContact CB-CE1 4.28Å; M518-F522 WeakPolarHBondContact O-CD1 3.24Å; M518-F522 WeakPolarHBondContact O-CE1 3.44Å; M518-I779 HydrophobicContact CE-CD1 4.26Å; M518-I779 HydrophobicContact CE-CG2 4.12Å; M518-I779 HydrophobicContact SD-CD1 3.6Å; M518-I779 HydrophobicContact SD-CG1 4.24Å; M518-I779 HydrophobicContact SD-CG2 4.36Å; M518-F783 HydrophobicContact CE-CE2 3.85Å; M518-F783 HydrophobicContact CE-CZ 4.19Å; M518-M933 HydrophobicContact CB-CB 3.91Å; M518-M933 HydrophobicContact CB-CG 4.26Å; M518-M933 HydrophobicContact CB-SD 4.25Å; M518-M933 HydrophobicContact CE-SD 3.81Å; M518-M933 HydrophobicContact CG-CB 4Å; M518-I936 HydrophobicContact CE-CB 3.96Å; M518-I936 HydrophobicContact CE-CG2 3.8Å; M518-I936 HydrophobicContact SD-CB 4.44Å; M518-I936 HydrophobicContact SD-CG2 4.14Å; M518-A937 HydrophobicContact CG-CB 3.94Å; M518-A937 HydrophobicContact SD-CB 4.22Å |
| 519 | H | 98.1 | Very high | 93.7 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.4 | -32.6 | -177.7 | 79.2 | 82.8 | 0 | 0 | 0 | 111.8 | F515 I516 V521 F522 M523 N525 L528 W566 Y570 | F515-H519 HydrophobicContact CE1-CB 4.39Å; F515-H519 HydrophobicContact CE2-CB 4.4Å; F515-H519 HydrophobicContact CZ-CB 4.21Å; F515-H519 WeakPolarHBondContact O-CB 3.32Å; F515-H519 PolarHBondContact O-N 2.8Å; I516-H519 PolarHBondContact O-CD2 2.86Å; H519-V521 PolarHBondContact O-N 2.88Å; H519-F522 HydrophobicContact CB-CZ 4.21Å; H519-F522 PolarHBondContact O-N 3.43Å; H519-M523 CarbonylContact C-O 3.54Å; H519-M523 PolarHBondContact ND1-O 3.43Å; H519-M523 CarbonylContact O-C 3.51Å; H519-M523 WeakPolarHBondContact O-CA 3.44Å; H519-M523 PolarHBondContact O-N 2.98Å; H519-N525 PolarHBondContact CE1-OD1 3.49Å; H519-L528 WeakPolarHBondContact ND1-CD2 3.37Å; H519-W566 AromaticContact CE1-NE1 3.85Å; H519-W566 AromaticContact NE2-CD1 3.52Å; H519-W566 AromaticContact NE2-NE1 3.51Å; H519-Y570 PolarHBondContact CE1-OH 2.74Å; H519-Y570 AromaticContact NE2-CE2 3.43Å; H519-Y570 WeakPolarHBondContact NE2-CE2 3.41Å; H519-Y570 AromaticContact NE2-CZ 3.76Å; H519-Y570 PolarHBondContact NE2-OH 2.78Å |
| 520 | C | 97.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 24.7 Ų | 24.7 | 10% | 0.095 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -56.1 | -23.5 | 178.8 | 65.3 | 0 | 0 | 0 | 0 | 113.8 | M518 F788 | M518-C520 PolarHBondContact O-N 3.17Å; M518-C520 VanDerWaalsContact O-N 3.1Å; C520-F788 HydrophobicContact CB-CD1 4.36Å; C520-F788 HydrophobicContact CB-CE1 4.09Å; C520-F788 WeakPolarHBondContact O-CE1 3.49Å |
| 521 | V | 97.9 | Very high | 95.2 | Very high | 27 Ų | 27 | 22.3 Ų | 22.3 | 16% | 0.164 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -76.7 | -31.9 | 178.8 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | M518 H519 I779 F783 F788 T922 M933 | M518-V521 HydrophobicContact CE-CG2 3.95Å; M518-V521 WeakPolarHBondContact O-CB 3.29Å; M518-V521 PolarHBondContact O-N 2.81Å; H519-V521 PolarHBondContact O-N 2.88Å; V521-I779 HydrophobicContact CG2-CG2 3.9Å; V521-F783 HydrophobicContact CB-CE1 4.45Å; V521-F783 HydrophobicContact CG1-CD1 3.64Å; V521-F783 HydrophobicContact CG1-CE1 3.39Å; V521-F783 HydrophobicContact CG1-CG 4.37Å; V521-F783 HydrophobicContact CG1-CZ 3.94Å; V521-F783 HydrophobicContact CG2-CD1 4.14Å; V521-F783 HydrophobicContact CG2-CD2 3.95Å; V521-F783 HydrophobicContact CG2-CE1 4.15Å; V521-F783 HydrophobicContact CG2-CE2 3.96Å; V521-F783 HydrophobicContact CG2-CG 4.04Å; V521-F783 HydrophobicContact CG2-CZ 4.05Å; V521-F788 HydrophobicContact CG2-CZ 4.35Å; V521-T922 HydrophobicContact CG1-CG2 3.91Å; V521-M933 HydrophobicContact CB-SD 4.25Å; V521-M933 HydrophobicContact CG1-CE 4.23Å; V521-M933 HydrophobicContact CG1-SD 4.05Å |
| 522 | F | 97.6 | Very high | 96 | Very high | 13 Ų | 13 | 20.7 Ų | 20.7 | 6% | 0.057 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -131.2 | -16.2 | -169.5 | 64.8 | -97.2 | 0 | 0 | 0 | 115.2 | P487 I490 F515 M518 H519 V928 F930 M933 | P487-F522 HydrophobicContact CB-CD2 4.1Å; P487-F522 HydrophobicContact CG-CD2 4.27Å; P487-F522 WeakPolarHBondContact CG-O 3.32Å; I490-F522 HydrophobicContact CG2-CE2 4.48Å; I490-F522 HydrophobicContact CG2-CZ 4.43Å; F515-F522 HydrophobicContact CD2-CE2 4.37Å; F515-F522 AromaticContact CD2-CZ 3.84Å; F515-F522 HydrophobicContact CD2-CZ 3.84Å; F515-F522 AromaticContact CE2-CE2 3.95Å; F515-F522 HydrophobicContact CE2-CE2 3.95Å; F515-F522 AromaticContact CE2-CZ 3.86Å; F515-F522 HydrophobicContact CE2-CZ 3.86Å; M518-F522 HydrophobicContact CB-CE1 4.28Å; M518-F522 WeakPolarHBondContact O-CD1 3.24Å; M518-F522 WeakPolarHBondContact O-CE1 3.44Å; H519-F522 HydrophobicContact CB-CZ 4.21Å; H519-F522 PolarHBondContact O-N 3.43Å; F522-V928 HydrophobicContact CB-CB 4.44Å; F522-V928 HydrophobicContact CB-CG1 3.87Å; F522-V928 HydrophobicContact CB-CG2 3.64Å; F522-V928 HydrophobicContact CD1-CG1 3.81Å; F522-V928 HydrophobicContact CD2-CG1 4.25Å; F522-V928 HydrophobicContact CD2-CG2 3.95Å; F522-V928 HydrophobicContact CE1-CG1 4.41Å; F522-V928 HydrophobicContact CG-CB 4.45Å; F522-V928 HydrophobicContact CG-CG1 3.71Å; F522-V928 HydrophobicContact CG-CG2 3.91Å; F522-F930 HydrophobicContact CE1-CD2 4.42Å; F522-F930 HydrophobicContact CE1-CE2 4.17Å; F522-F930 HydrophobicContact CZ-CD2 4.42Å; F522-F930 HydrophobicContact CZ-CE2 4.06Å; F522-M933 HydrophobicContact CD1-CG 4.26Å; F522-M933 HydrophobicContact CD1-SD 4.32Å; F522-M933 HydrophobicContact CE1-CG 4.22Å |
| 523 | M | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -145.7 | 78.8 | 179 | -159.6 | -179.8 | -165 | 0 | 0 | 109.4 | P487 L491 H519 Q527 L528 A531 | P487-M523 HydrophobicContact CB-CB 4.06Å; P487-M523 HydrophobicContact CB-CG 4.05Å; P487-M523 HydrophobicContact CB-SD 4.15Å; L491-M523 HydrophobicContact CB-SD 4.34Å; L491-M523 HydrophobicContact CD2-CE 3.92Å; L491-M523 HydrophobicContact CD2-SD 4.2Å; H519-M523 CarbonylContact C-O 3.54Å; H519-M523 PolarHBondContact ND1-O 3.43Å; H519-M523 CarbonylContact O-C 3.51Å; H519-M523 WeakPolarHBondContact O-CA 3.44Å; H519-M523 PolarHBondContact O-N 2.98Å; M523-Q527 HydrophobicContact CG-CB 4.12Å; M523-L528 HydrophobicContact CG-CB 4.22Å; M523-L528 HydrophobicContact SD-CB 4.39Å; M523-L528 HydrophobicContact SD-CD1 3.97Å; M523-A531 HydrophobicContact CE-CB 3.57Å |
| 524 | P | 97.3 | Very high | 96.4 | Very high | 49 Ų | 49 | 24.9 Ų | 24.9 | 32% | 0.318 | 16% | 0.155 | S | C | . | . | trans | -60.8 | 162.3 | 179.7 | 27 | -35.3 | 0 | 0 | 0 | 111.6 | T526 Q527 L528 | P524-T526 PolarHBondContact O-N 2.9Å; P524-Q527 HydrophobicContact CG-CG 4.33Å; P524-Q527 WeakPolarHBondContact O-CA 3.5Å; P524-Q527 PolarHBondContact O-N 2.86Å; P524-L528 PolarHBondContact O-N 3.4Å | ||
| 525 | N | 96.9 | Very high | 96.2 | Very high | 11 Ų | 11 | 26.4 Ų | 26.4 | 6% | 0.059 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.7 | -28.4 | -177.8 | -70.1 | -29.6 | 0 | 0 | 0 | 113.5 | H519 Q527 C529 W566 Y570 D577 S580 | H519-N525 PolarHBondContact CE1-OD1 3.49Å; N525-Q527 PolarHBondContact O-N 2.88Å; N525-C529 VanDerWaalsContact O-CB 3.28Å; N525-C529 WeakPolarHBondContact O-CB 3.43Å; N525-C529 PolarHBondContact O-N 2.85Å; N525-C529 PolarHBondContact O-SG 3.08Å; N525-C529 VanDerWaalsContact O-SG 3.4Å; N525-W566 PolarHBondContact OD1-NE1 2.95Å; N525-Y570 PolarHBondContact ND2-OH 2.97Å; N525-D577 PolarHBondContact ND2-OD2 2.9Å; N525-S580 PolarHBondContact ND2-OG 3.28Å |
| 526 | T | 96.6 | Very high | 96.1 | Very high | 89 Ų | 89 | 26.4 Ų | 26.4 | 55% | 0.546 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -61 | -21.4 | 172.5 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | P524 P530 V579 | P524-T526 PolarHBondContact O-N 2.9Å; T526-P530 WeakPolarHBondContact O-CG 3.48Å; T526-V579 HydrophobicContact CG2-CG2 4.29Å |
| 527 | Q | 96.8 | Very high | 95.9 | Very high | 93 Ų | 93 | 30.6 Ų | 30.6 | 44% | 0.435 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -107.1 | -42 | 174.2 | -64.9 | 176.9 | 6.1 | 0 | 0 | 111.7 | M523 P524 N525 P530 A531 | M523-Q527 HydrophobicContact CG-CB 4.12Å; P524-Q527 HydrophobicContact CG-CG 4.33Å; P524-Q527 WeakPolarHBondContact O-CA 3.5Å; P524-Q527 PolarHBondContact O-N 2.86Å; N525-Q527 PolarHBondContact O-N 2.88Å; Q527-P530 WeakPolarHBondContact O-CD 3.42Å; Q527-A531 WeakPolarHBondContact O-CB 3.41Å; Q527-A531 PolarHBondContact O-N 3.48Å; Q527-A531 VanDerWaalsContact O-N 3.15Å |
| 528 | L | 97.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63 | -47.9 | -178.2 | 177.2 | 63.4 | 0 | 0 | 0 | 112.2 | L491 F515 H519 M523 P524 A531 L532 | L491-L528 HydrophobicContact CD1-CD1 4.09Å; L491-L528 HydrophobicContact CD2-CD1 4Å; F515-L528 HydrophobicContact CE1-CD1 4.23Å; F515-L528 HydrophobicContact CZ-CD1 4.04Å; H519-L528 WeakPolarHBondContact ND1-CD2 3.37Å; M523-L528 HydrophobicContact CG-CB 4.22Å; M523-L528 HydrophobicContact SD-CB 4.39Å; M523-L528 HydrophobicContact SD-CD1 3.97Å; P524-L528 PolarHBondContact O-N 3.4Å; L528-A531 PolarHBondContact O-N 3.21Å; L528-L532 HydrophobicContact CD1-CD1 3.95Å; L528-L532 HydrophobicContact CD1-CD2 4.32Å; L528-L532 HydrophobicContact CD1-CG 3.92Å; L528-L532 HydrophobicContact CD2-CD1 4.42Å; L528-L532 HydrophobicContact CG-CD1 3.83Å; L528-L532 HydrophobicContact CG-CG 4.23Å; L528-L532 WeakPolarHBondContact O-CG 3.28Å; L528-L532 PolarHBondContact O-N 3.09Å |
| 529 | C | 97.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 3% | 0.027 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -60.8 | -49.8 | -176.6 | -65.5 | 0 | 0 | 0 | 0 | 112 | N525 A531 L532 V533 F583 | N525-C529 VanDerWaalsContact O-CB 3.28Å; N525-C529 WeakPolarHBondContact O-CB 3.43Å; N525-C529 PolarHBondContact O-N 2.85Å; N525-C529 PolarHBondContact O-SG 3.08Å; N525-C529 VanDerWaalsContact O-SG 3.4Å; C529-A531 VanDerWaalsContact C-N 3.33Å; C529-A531 PolarHBondContact O-N 3.37Å; C529-L532 PolarHBondContact O-N 2.96Å; C529-V533 WeakPolarHBondContact O-CG2 3.33Å; C529-V533 PolarHBondContact O-N 3.39Å; C529-F583 HydrophobicContact CB-CB 3.79Å; C529-F583 HydrophobicContact CB-CD1 4.15Å; C529-F583 HydrophobicContact CB-CD2 3.72Å; C529-F583 HydrophobicContact CB-CE2 4.35Å; C529-F583 HydrophobicContact CB-CG 3.59Å |
| 530 | P | 96.3 | Very high | 93.3 | Very high | 75 Ų | 75 | 40 Ų | 40 | 49% | 0.487 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.4 | -40.1 | 172.4 | -26.2 | 35 | 0 | 0 | 0 | 113.9 | T526 Q527 L532 V533 A534 | T526-P530 WeakPolarHBondContact O-CG 3.48Å; Q527-P530 WeakPolarHBondContact O-CD 3.42Å; P530-L532 VanDerWaalsContact C-N 3.34Å; P530-L532 PolarHBondContact O-N 3.46Å; P530-V533 PolarHBondContact O-N 2.84Å; P530-A534 PolarHBondContact O-N 3.18Å |
| 531 | A | 94.1 | Very high | 91.6 | Very high | 21 Ų | 21 | 44.5 Ų | 44.5 | 17% | 0.174 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.9 | -40.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L491 M523 Q527 L528 C529 A534 H535 | L491-A531 HydrophobicContact CD2-CB 3.77Å; M523-A531 HydrophobicContact CE-CB 3.57Å; Q527-A531 WeakPolarHBondContact O-CB 3.41Å; Q527-A531 PolarHBondContact O-N 3.48Å; Q527-A531 VanDerWaalsContact O-N 3.15Å; L528-A531 PolarHBondContact O-N 3.21Å; C529-A531 VanDerWaalsContact C-N 3.33Å; C529-A531 PolarHBondContact O-N 3.37Å; A531-A534 WeakPolarHBondContact O-CB 3.26Å; A531-A534 PolarHBondContact O-N 2.9Å; A531-H535 PolarHBondContact O-CD2 2.84Å; A531-H535 PolarHBondContact O-N 2.96Å |
| 532 | L | 96 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 175.4 | -68.3 | 172.6 | 0 | 0 | 0 | 112.2 | L491 L528 C529 P530 A534 H535 Y536 V559 L562 V563 F583 | L491-L532 HydrophobicContact CD1-CD2 3.97Å; L491-L532 HydrophobicContact CD2-CD2 4.43Å; L528-L532 HydrophobicContact CD1-CD1 3.95Å; L528-L532 HydrophobicContact CD1-CD2 4.32Å; L528-L532 HydrophobicContact CD1-CG 3.92Å; L528-L532 HydrophobicContact CD2-CD1 4.42Å; L528-L532 HydrophobicContact CG-CD1 3.83Å; L528-L532 HydrophobicContact CG-CG 4.23Å; L528-L532 WeakPolarHBondContact O-CG 3.28Å; L528-L532 PolarHBondContact O-N 3.09Å; C529-L532 PolarHBondContact O-N 2.96Å; P530-L532 VanDerWaalsContact C-N 3.34Å; P530-L532 PolarHBondContact O-N 3.46Å; L532-A534 VanDerWaalsContact C-N 3.34Å; L532-H535 PolarHBondContact O-N 2.85Å; L532-Y536 WeakPolarHBondContact O-CB 3.46Å; L532-Y536 PolarHBondContact O-N 2.96Å; L532-V559 HydrophobicContact CD2-CG1 4.39Å; L532-L562 HydrophobicContact CD1-CD2 4.17Å; L532-L562 HydrophobicContact CD2-CD2 3.77Å; L532-V563 HydrophobicContact CD1-CG2 4.05Å; L532-F583 HydrophobicContact CB-CE2 4.16Å; L532-F583 HydrophobicContact CB-CZ 3.96Å; L532-F583 HydrophobicContact CD1-CE1 4.36Å; L532-F583 HydrophobicContact CD1-CZ 4Å |
| 533 | V | 95.1 | Very high | 89.1 | Confident | 43 Ų | 43 | 52.2 Ų | 52.2 | 26% | 0.261 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.3 | -44.3 | 172.6 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | C529 P530 Y536 H537 F583 | C529-V533 WeakPolarHBondContact O-CG2 3.33Å; C529-V533 PolarHBondContact O-N 3.39Å; P530-V533 PolarHBondContact O-N 2.84Å; V533-Y536 PolarHBondContact O-N 2.9Å; V533-H537 PolarHBondContact O-N 3.07Å; V533-H537 PolarHBondContact O-ND1 3.34Å; V533-F583 HydrophobicContact CG2-CD2 3.82Å; V533-F583 HydrophobicContact CG2-CE2 3.66Å |
| 534 | A | 92 | Very high | 88.4 | Confident | 64 Ų | 64 | 56 Ų | 56 | 53% | 0.529 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.9 | -46.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P530 A531 L532 Y536 H537 A538 | P530-A534 PolarHBondContact O-N 3.18Å; A531-A534 WeakPolarHBondContact O-CB 3.26Å; A531-A534 PolarHBondContact O-N 2.9Å; L532-A534 VanDerWaalsContact C-N 3.34Å; A534-Y536 VanDerWaalsContact C-N 3.34Å; A534-Y536 PolarHBondContact O-N 3.15Å; A534-H537 PolarHBondContact O-N 3.43Å; A534-A538 WeakPolarHBondContact O-CB 3.31Å; A534-A538 PolarHBondContact O-N 3.16Å |
| 535 | H | 89.1 | Confident | 87.8 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 20% | 0.204 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 175.4 | -81.3 | -73.3 | 0 | 0 | 0 | 112.3 | L495 A531 L532 H537 A538 N555 V559 | L495-H535 HydrophobicContact CD1-CB 3.98Å; A531-H535 PolarHBondContact O-CD2 2.84Å; A531-H535 PolarHBondContact O-N 2.96Å; L532-H535 PolarHBondContact O-N 2.85Å; H535-H537 VanDerWaalsContact C-N 3.29Å; H535-H537 PolarHBondContact O-N 2.98Å; H535-A538 WeakPolarHBondContact O-CB 3.47Å; H535-A538 PolarHBondContact O-N 2.98Å; H535-N555 PolarHBondContact O-ND2 3.05Å; H535-V559 HydrophobicContact CB-CG2 3.98Å |
| 536 | Y | 92.8 | Very high | 87.1 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 0% | 0.004 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.9 | -33.2 | 178.9 | -171.5 | -101.8 | 0 | 0 | 0 | 113.5 | L532 V533 A534 K556 V559 I560 F587 V591 D594 | L532-Y536 WeakPolarHBondContact O-CB 3.46Å; L532-Y536 PolarHBondContact O-N 2.96Å; V533-Y536 PolarHBondContact O-N 2.9Å; A534-Y536 VanDerWaalsContact C-N 3.34Å; A534-Y536 PolarHBondContact O-N 3.15Å; Y536-K556 HydrophobicContact CD2-CB 4.1Å; Y536-K556 HydrophobicContact CD2-CG 3.88Å; Y536-K556 HydrophobicContact CE1-CD 4.39Å; Y536-K556 HydrophobicContact CE1-CG 4.42Å; Y536-K556 HydrophobicContact CE2-CB 3.65Å; Y536-K556 HydrophobicContact CE2-CD 4.2Å; Y536-K556 HydrophobicContact CE2-CG 3.63Å; Y536-K556 HydrophobicContact CG-CG 4.38Å; Y536-K556 WeakPolarHBondContact O-CG 3.44Å; Y536-K556 PolarHBondContact O-NZ 2.97Å; Y536-K556 VanDerWaalsContact O-NZ 3.11Å; Y536-V559 HydrophobicContact CD2-CB 4.19Å; Y536-V559 HydrophobicContact CD2-CG1 4.13Å; Y536-I560 HydrophobicContact CE2-CD1 4.04Å; Y536-I560 HydrophobicContact CE2-CG1 3.98Å; Y536-F587 HydrophobicContact CD1-CE2 4.4Å; Y536-F587 AromaticContact CD2-CE2 3.64Å; Y536-F587 HydrophobicContact CD2-CE2 3.64Å; Y536-F587 AromaticContact CD2-CZ 3.89Å; Y536-F587 HydrophobicContact CD2-CZ 3.89Å; Y536-F587 HydrophobicContact CE2-CE2 4.16Å; Y536-F587 HydrophobicContact CE2-CZ 4.14Å; Y536-F587 AromaticContact CG-CE2 3.77Å; Y536-F587 HydrophobicContact CG-CE2 3.77Å; Y536-F587 HydrophobicContact CG-CZ 4.48Å; Y536-V591 HydrophobicContact CE2-CG2 3.98Å; Y536-V591 WeakPolarHBondContact OH-CA 3.31Å; Y536-D594 WeakPolarHBondContact CE1-OD2 3.46Å; Y536-D594 PolarHBondContact OH-OD2 3.06Å; Y536-D594 VanDerWaalsContact OH-OD2 3.1Å |
| 537 | H | 92.1 | Very high | 86.1 | Confident | 90 Ų | 90 | 66 Ų | 66 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -98.1 | -2.6 | -179.3 | -62.3 | 98.5 | 0 | 0 | 0 | 113.5 | V533 A534 H535 Q539 | V533-H537 PolarHBondContact O-N 3.07Å; V533-H537 PolarHBondContact O-ND1 3.34Å; A534-H537 PolarHBondContact O-N 3.43Å; H535-H537 VanDerWaalsContact C-N 3.29Å; H535-H537 PolarHBondContact O-N 2.98Å; H537-Q539 PolarHBondContact O-N 2.84Å |
| 538 | A | 84.6 | Confident | 85.2 | Confident | 41 Ų | 41 | 64 Ų | 64 | 34% | 0.339 | 36% | 0.36 | S | S | . | . | trans | -60.7 | 132.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | A534 H535 | A534-A538 WeakPolarHBondContact O-CB 3.31Å; A534-A538 PolarHBondContact O-N 3.16Å; H535-A538 WeakPolarHBondContact O-CB 3.47Å; H535-A538 PolarHBondContact O-N 2.98Å | ||
| 539 | Q | 78.3 | Confident | 84.5 | Confident | 136 Ų | 136 | 70 Ų | 70 | 64% | 0.636 | 39% | 0.389 | S | S | * | . | trans | -105.8 | 134.2 | 177.1 | -65.2 | -60.9 | -33.4 | 0 | 0 | 110.3 | H537 S541 | H537-Q539 PolarHBondContact O-N 2.84Å; Q539-S541 PolarHBondContact O-N 3.47Å | ||
| 540 | P | 75.6 | Confident | 83.7 | Confident | 23 Ų | 23 | 73.5 Ų | 73.5 | 15% | 0.149 | 41% | 0.408 | C | S | . | . | trans | -66.1 | 131.6 | 175.9 | 24.3 | -30.6 | 0 | 0 | 0 | 111.1 | K548 Y551 | P540-K548 HydrophobicContact CB-CG 4.36Å; P540-K548 HydrophobicContact CG-CB 3.63Å; P540-K548 HydrophobicContact CG-CG 3.77Å; P540-Y551 HydrophobicContact CB-CD1 3.74Å; P540-Y551 HydrophobicContact CB-CE1 4.23Å; P540-Y551 HydrophobicContact CB-CG 4.28Å; P540-Y551 HydrophobicContact CG-CD1 3.82Å; P540-Y551 HydrophobicContact CG-CG 4.39Å | ||
| 541 | S | 61.4 | Low | 82.8 | Confident | 107 Ų | 107 | 74.8 Ų | 74.8 | 75% | 0.748 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -82.5 | -13.4 | -179 | 55 | 0 | 0 | 0 | 0 | 113.8 | Q539 | Q539-S541 PolarHBondContact O-N 3.47Š|
| 542 | Q | 66.9 | Low | 82.2 | Confident | 161 Ų | 161 | 74.3 Ų | 74.3 | 75% | 0.752 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -129.7 | 152.3 | -174.3 | -63.1 | -66 | -20.9 | 0 | 0 | 110.9 | ||
| 543 | G | 76.5 | Confident | 81.8 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 43% | 0.433 | 41% | 0.41 | S | S | . | . | S | Bend | trans | 106.6 | 169.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | K548 | G543-K548 VanDerWaalsContact O-CE 3.22Å; G543-K548 WeakPolarHBondContact O-CE 3.27Å |
| 544 | T | 83.8 | Confident | 81.3 | Confident | 81 Ų | 81 | 76.8 Ų | 76.8 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | trans | -70.2 | 158.8 | 172.1 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | Q546 E547 K548 | T544-Q546 PolarHBondContact O-N 3.32Å; T544-Q546 VanDerWaalsContact O-N 3.17Å; T544-E547 PolarHBondContact N-OE2 2.98Å; T544-E547 PolarHBondContact O-N 3.09Å; T544-E547 VanDerWaalsContact O-N 3.08Å; T544-E547 VanDerWaalsContact OG1-CD 3.23Å; T544-E547 VanDerWaalsContact OG1-CG 3.26Å; T544-E547 WeakPolarHBondContact OG1-CG 3.31Å; T544-E547 PolarHBondContact OG1-N 3.4Å; T544-E547 PolarHBondContact OG1-OE2 3.33Å; T544-K548 WeakPolarHBondContact O-CG 3.35Å; T544-K548 PolarHBondContact O-N 3.29Å | ||
| 545 | E | 84.4 | Confident | 80.9 | Confident | 130 Ų | 130 | 74.3 Ų | 74.3 | 61% | 0.607 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -55.4 | -35.9 | 179.8 | -69.5 | -60.2 | 124.1 | 0 | 0 | 112.9 | K548 M549 | E545-K548 PolarHBondContact O-N 2.79Å; E545-K548 IonicContact OE1-NZ 3.56Å; E545-K548 PolarHBondContact OE1-NZ 2.81Å; E545-M549 VanDerWaalsContact O-CG 3.28Å; E545-M549 WeakPolarHBondContact O-CG 3.36Å; E545-M549 PolarHBondContact O-N 2.9Å |
| 546 | Q | 82.4 | Confident | 81.1 | Confident | 117 Ų | 117 | 73 Ų | 73 | 55% | 0.547 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67 | -46.5 | 175.6 | -171.1 | 62.6 | 43.5 | 0 | 0 | 112.2 | T544 K548 M549 D550 | T544-Q546 PolarHBondContact O-N 3.32Å; T544-Q546 VanDerWaalsContact O-N 3.17Å; Q546-K548 VanDerWaalsContact C-N 3.3Å; Q546-K548 PolarHBondContact O-N 3.04Å; Q546-M549 PolarHBondContact O-N 2.92Å; Q546-D550 PolarHBondContact O-N 3.15Å |
| 547 | E | 76.1 | Confident | 80.9 | Confident | 112 Ų | 112 | 75.7 Ų | 75.7 | 52% | 0.523 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 176.7 | -70.5 | 164.8 | 151.8 | 0 | 0 | 111.7 | T544 D550 Y551 | T544-E547 PolarHBondContact N-OE2 2.98Å; T544-E547 PolarHBondContact O-N 3.09Å; T544-E547 VanDerWaalsContact O-N 3.08Å; T544-E547 VanDerWaalsContact OG1-CD 3.23Å; T544-E547 VanDerWaalsContact OG1-CG 3.26Å; T544-E547 WeakPolarHBondContact OG1-CG 3.31Å; T544-E547 PolarHBondContact OG1-N 3.4Å; T544-E547 PolarHBondContact OG1-OE2 3.33Å; E547-D550 PolarHBondContact O-N 3.36Å; E547-Y551 VanDerWaalsContact O-CB 3.31Å; E547-Y551 WeakPolarHBondContact O-CB 3.13Å; E547-Y551 PolarHBondContact O-N 2.99Å |
| 548 | K | 76.8 | Confident | 80.7 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 23% | 0.226 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62.8 | -45.1 | 175 | -70.2 | -176.3 | -171.2 | 162.8 | 0 | 111.5 | P540 G543 T544 E545 Q546 Y551 A552 | P540-K548 HydrophobicContact CB-CG 4.36Å; P540-K548 HydrophobicContact CG-CB 3.63Å; P540-K548 HydrophobicContact CG-CG 3.77Å; G543-K548 VanDerWaalsContact O-CE 3.22Å; G543-K548 WeakPolarHBondContact O-CE 3.27Å; T544-K548 WeakPolarHBondContact O-CG 3.35Å; T544-K548 PolarHBondContact O-N 3.29Å; E545-K548 PolarHBondContact O-N 2.79Å; E545-K548 IonicContact OE1-NZ 3.56Å; E545-K548 PolarHBondContact OE1-NZ 2.81Å; Q546-K548 VanDerWaalsContact C-N 3.3Å; Q546-K548 PolarHBondContact O-N 3.04Å; K548-Y551 PolarHBondContact O-N 3.16Å; K548-A552 VanDerWaalsContact O-CB 3.25Å; K548-A552 WeakPolarHBondContact O-CB 3.28Å; K548-A552 PolarHBondContact O-N 3.02Å |
| 549 | M | 82.4 | Confident | 81.2 | Confident | 125 Ų | 125 | 72.1 Ų | 72.1 | 62% | 0.616 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.8 | -45.1 | 176.3 | -74 | -179 | 72.4 | 0 | 0 | 111.7 | E545 Q546 A552 L553 | E545-M549 VanDerWaalsContact O-CG 3.28Å; E545-M549 WeakPolarHBondContact O-CG 3.36Å; E545-M549 PolarHBondContact O-N 2.9Å; Q546-M549 PolarHBondContact O-N 2.92Å; M549-A552 PolarHBondContact O-N 3.02Å; M549-L553 WeakPolarHBondContact O-CB 3.41Å; M549-L553 PolarHBondContact O-N 3.21Å |
| 550 | D | 80.6 | Confident | 81.9 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 42% | 0.417 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 179.8 | -69.8 | -21.5 | 0 | 0 | 0 | 111.9 | Q546 E547 N554 | Q546-D550 PolarHBondContact O-N 3.15Å; E547-D550 PolarHBondContact O-N 3.36Å; D550-N554 PolarHBondContact O-N 2.93Å; D550-N554 VanDerWaalsContact O-N 3.09Å; D550-N554 PolarHBondContact O-ND2 3.43Å |
| 551 | Y | 77.9 | Confident | 82.6 | Confident | 102 Ų | 102 | 66 Ų | 66 | 40% | 0.4 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.3 | -49.8 | 174.5 | 179.1 | -86.4 | 0 | 0 | 0 | 111.3 | P540 E547 K548 L553 N554 N555 | P540-Y551 HydrophobicContact CB-CD1 3.74Å; P540-Y551 HydrophobicContact CB-CE1 4.23Å; P540-Y551 HydrophobicContact CB-CG 4.28Å; P540-Y551 HydrophobicContact CG-CD1 3.82Å; P540-Y551 HydrophobicContact CG-CG 4.39Å; E547-Y551 VanDerWaalsContact O-CB 3.31Å; E547-Y551 WeakPolarHBondContact O-CB 3.13Å; E547-Y551 PolarHBondContact O-N 2.99Å; K548-Y551 PolarHBondContact O-N 3.16Å; Y551-L553 VanDerWaalsContact C-N 3.29Å; Y551-L553 PolarHBondContact O-N 3.31Å; Y551-N554 PolarHBondContact O-N 2.92Å; Y551-N555 HydrophobicContact CE1-CB 4.32Å; Y551-N555 VanDerWaalsContact O-CB 3.32Å; Y551-N555 WeakPolarHBondContact O-CB 3.4Å; Y551-N555 PolarHBondContact O-N 3.44Å |
| 552 | A | 82.6 | Confident | 84.1 | Confident | 11 Ų | 11 | 61 Ų | 61 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K548 M549 N555 K556 | K548-A552 VanDerWaalsContact O-CB 3.25Å; K548-A552 WeakPolarHBondContact O-CB 3.28Å; K548-A552 PolarHBondContact O-N 3.02Å; M549-A552 PolarHBondContact O-N 3.02Å; A552-N555 PolarHBondContact O-N 3.01Å; A552-K556 WeakPolarHBondContact O-CG 3.15Å; A552-K556 PolarHBondContact O-N 3.38Å |
| 553 | L | 87.3 | Confident | 85.5 | Confident | 40 Ų | 40 | 53.3 Ų | 53.3 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.9 | -50.2 | 174.8 | 177.7 | 56.1 | 0 | 0 | 0 | 112.1 | M549 Y551 N555 K556 R557 I598 A600 L601 | M549-L553 WeakPolarHBondContact O-CB 3.41Å; M549-L553 PolarHBondContact O-N 3.21Å; Y551-L553 VanDerWaalsContact C-N 3.29Å; Y551-L553 PolarHBondContact O-N 3.31Å; L553-N555 VanDerWaalsContact C-N 3.33Å; L553-N555 PolarHBondContact O-N 2.95Å; L553-K556 PolarHBondContact O-N 3.45Å; L553-R557 WeakPolarHBondContact O-CG 3.33Å; L553-R557 PolarHBondContact O-N 3.4Å; L553-I598 HydrophobicContact CD1-CG2 3.47Å; L553-I598 VanDerWaalsContact CD1-CG2 3.47Å; L553-A600 HydrophobicContact CD1-CB 4.24Å; L553-A600 HydrophobicContact CD2-CB 4.04Å; L553-L601 HydrophobicContact CD1-CD2 4.02Å; L553-L601 HydrophobicContact CD1-CG 4.15Å |
| 554 | N | 83.8 | Confident | 86.3 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 30% | 0.299 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.4 | -38.4 | -179.8 | -74.4 | -45.5 | 0 | 0 | 0 | 112 | L500 D550 Y551 R557 R558 | L500-N554 HydrophobicContact CD1-CB 4.48Å; D550-N554 PolarHBondContact O-N 2.93Å; D550-N554 VanDerWaalsContact O-N 3.09Å; D550-N554 PolarHBondContact O-ND2 3.43Å; Y551-N554 PolarHBondContact O-N 2.92Å; N554-R557 PolarHBondContact O-N 3.22Å; N554-R558 VanDerWaalsContact O-CG 3.25Å; N554-R558 WeakPolarHBondContact O-CG 3.3Å; N554-R558 PolarHBondContact O-N 3.47Å |
| 555 | N | 84.5 | Confident | 86.7 | Confident | 11 Ų | 11 | 49.7 Ų | 49.7 | 6% | 0.059 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 173.4 | 179.1 | 45.5 | 0 | 0 | 0 | 111.5 | H535 Y551 A552 L553 R557 R558 V559 | H535-N555 PolarHBondContact O-ND2 3.05Å; Y551-N555 HydrophobicContact CE1-CB 4.32Å; Y551-N555 VanDerWaalsContact O-CB 3.32Å; Y551-N555 WeakPolarHBondContact O-CB 3.4Å; Y551-N555 PolarHBondContact O-N 3.44Å; A552-N555 PolarHBondContact O-N 3.01Å; L553-N555 VanDerWaalsContact C-N 3.33Å; L553-N555 PolarHBondContact O-N 2.95Å; N555-R557 VanDerWaalsContact C-N 3.32Å; N555-R557 PolarHBondContact O-N 3.37Å; N555-R558 WeakPolarHBondContact O-CB 3.41Å; N555-R558 PolarHBondContact O-N 3.13Å; N555-R558 VanDerWaalsContact O-N 3.11Å; N555-V559 WeakPolarHBondContact O-CG2 3.46Å; N555-V559 PolarHBondContact O-N 3.17Å |
| 556 | K | 91.8 | Very high | 87.3 | Confident | 18 Ų | 18 | 43.5 Ų | 43.5 | 8% | 0.078 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54.9 | -45.2 | 174.4 | -75.9 | 178.4 | 179.5 | -77.1 | 0 | 112.2 | Y536 A552 L553 R558 V559 I560 D594 L601 | Y536-K556 HydrophobicContact CD2-CB 4.1Å; Y536-K556 HydrophobicContact CD2-CG 3.88Å; Y536-K556 HydrophobicContact CE1-CD 4.39Å; Y536-K556 HydrophobicContact CE1-CG 4.42Å; Y536-K556 HydrophobicContact CE2-CB 3.65Å; Y536-K556 HydrophobicContact CE2-CD 4.2Å; Y536-K556 HydrophobicContact CE2-CG 3.63Å; Y536-K556 HydrophobicContact CG-CG 4.38Å; Y536-K556 WeakPolarHBondContact O-CG 3.44Å; Y536-K556 PolarHBondContact O-NZ 2.97Å; Y536-K556 VanDerWaalsContact O-NZ 3.11Å; A552-K556 WeakPolarHBondContact O-CG 3.15Å; A552-K556 PolarHBondContact O-N 3.38Å; L553-K556 PolarHBondContact O-N 3.45Å; K556-R558 PolarHBondContact O-N 3.39Å; K556-V559 PolarHBondContact O-N 3.2Å; K556-I560 WeakPolarHBondContact O-CD1 3.13Å; K556-I560 VanDerWaalsContact O-CG1 3.26Å; K556-I560 WeakPolarHBondContact O-CG1 3.19Å; K556-I560 PolarHBondContact O-N 2.96Å; K556-D594 WeakPolarHBondContact CE-OD2 3.2Å; K556-D594 IonicContact NZ-OD2 3.79Å; K556-D594 PolarHBondContact NZ-OD2 3.25Å; K556-L601 HydrophobicContact CB-CD2 4.41Å; K556-L601 HydrophobicContact CD-CD1 4.47Å |
| 557 | R | 90 | Very high | 87.8 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 21% | 0.211 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -38.1 | 177.5 | -69.7 | 177.8 | 77.6 | -168.4 | 7 | 113.1 | L500 L553 N554 N555 R561 L601 Q604 | L500-R557 HydrophobicContact CD1-CB 3.73Å; L500-R557 HydrophobicContact CD2-CB 3.99Å; L553-R557 WeakPolarHBondContact O-CG 3.33Å; L553-R557 PolarHBondContact O-N 3.4Å; N554-R557 PolarHBondContact O-N 3.22Å; N555-R557 VanDerWaalsContact C-N 3.32Å; N555-R557 PolarHBondContact O-N 3.37Å; R557-R561 WeakPolarHBondContact O-CB 3.46Å; R557-R561 PolarHBondContact O-N 3.19Å; R557-L601 HydrophobicContact CG-CD2 3.67Å; R557-Q604 PolarHBondContact O-NE2 2.8Å |
| 558 | R | 87.6 | Confident | 88.6 | Confident | 57 Ų | 57 | 36.1 Ų | 36.1 | 22% | 0.215 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.1 | -44.9 | 176.2 | -70.4 | 164.5 | 173.7 | 146.7 | 2 | 111.4 | L495 I498 L500 N554 N555 K556 R561 L562 | L495-R558 VanDerWaalsContact O-CD 3.3Å; L495-R558 WeakPolarHBondContact O-CD 3.25Å; I498-R558 HydrophobicContact CB-CB 4.24Å; I498-R558 HydrophobicContact CB-CG 3.91Å; I498-R558 HydrophobicContact CD1-CB 4.21Å; I498-R558 WeakPolarHBondContact CD1-O 3.43Å; I498-R558 HydrophobicContact CG2-CB 4.24Å; I498-R558 HydrophobicContact CG2-CG 3.85Å; L500-R558 HydrophobicContact CD1-CG 4.25Å; L500-R558 HydrophobicContact CD2-CG 4.14Å; L500-R558 HydrophobicContact CG-CG 4.26Å; N554-R558 VanDerWaalsContact O-CG 3.25Å; N554-R558 WeakPolarHBondContact O-CG 3.3Å; N554-R558 PolarHBondContact O-N 3.47Å; N555-R558 WeakPolarHBondContact O-CB 3.41Å; N555-R558 PolarHBondContact O-N 3.13Å; N555-R558 VanDerWaalsContact O-N 3.11Å; K556-R558 PolarHBondContact O-N 3.39Å; R558-R561 PolarHBondContact O-N 2.98Å; R558-L562 PolarHBondContact O-N 2.73Å |
| 559 | V | 93.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -45.9 | 175.7 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | L495 L532 H535 Y536 N555 K556 R561 L562 V563 F587 | L495-V559 HydrophobicContact CD1-CG2 4.3Å; L495-V559 HydrophobicContact CD2-CB 4.43Å; L495-V559 HydrophobicContact CD2-CG2 3.91Å; L532-V559 HydrophobicContact CD2-CG1 4.39Å; H535-V559 HydrophobicContact CB-CG2 3.98Å; Y536-V559 HydrophobicContact CD2-CB 4.19Å; Y536-V559 HydrophobicContact CD2-CG1 4.13Å; N555-V559 WeakPolarHBondContact O-CG2 3.46Å; N555-V559 PolarHBondContact O-N 3.17Å; K556-V559 PolarHBondContact O-N 3.2Å; V559-R561 VanDerWaalsContact C-N 3.33Å; V559-R561 PolarHBondContact O-N 3.48Å; V559-L562 PolarHBondContact O-N 3.35Å; V559-V563 HydrophobicContact CG1-CG2 4.4Å; V559-V563 WeakPolarHBondContact O-CG2 3.29Å; V559-V563 PolarHBondContact O-N 3.24Å; V559-F587 HydrophobicContact CG1-CE2 4.03Å; V559-F587 HydrophobicContact CG1-CZ 3.99Å |
| 560 | I | 93.7 | Very high | 90 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 175.2 | -66.8 | 162.3 | 0 | 0 | 0 | 110.8 | Y536 K556 L562 V563 L564 F587 V591 L601 Q604 | Y536-I560 HydrophobicContact CE2-CD1 4.04Å; Y536-I560 HydrophobicContact CE2-CG1 3.98Å; K556-I560 WeakPolarHBondContact O-CD1 3.13Å; K556-I560 VanDerWaalsContact O-CG1 3.26Å; K556-I560 WeakPolarHBondContact O-CG1 3.19Å; K556-I560 PolarHBondContact O-N 2.96Å; I560-L562 VanDerWaalsContact C-N 3.33Å; I560-L562 PolarHBondContact O-N 3.49Å; I560-V563 PolarHBondContact O-N 3.34Å; I560-L564 HydrophobicContact CG2-CD1 3.95Å; I560-L564 HydrophobicContact CG2-CG 4.28Å; I560-L564 VanDerWaalsContact O-CG 3.3Å; I560-L564 WeakPolarHBondContact O-CG 3.41Å; I560-L564 PolarHBondContact O-N 3.27Å; I560-F587 HydrophobicContact CG1-CE1 4.12Å; I560-F587 HydrophobicContact CG1-CZ 3.89Å; I560-V591 HydrophobicContact CD1-CG1 3.76Å; I560-V591 HydrophobicContact CD1-CG2 4.03Å; I560-V591 HydrophobicContact CG1-CG1 4.38Å; I560-V591 HydrophobicContact CG1-CG2 3.92Å; I560-L601 HydrophobicContact CD1-CD2 3.86Å; I560-Q604 HydrophobicContact CG2-CB 3.79Å; I560-Q604 HydrophobicContact CG2-CG 4.38Å |
| 561 | R | 91.1 | Very high | 90.5 | Very high | 31 Ų | 31 | 26.7 Ų | 26.7 | 12% | 0.117 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.9 | -43.9 | 177.8 | -179.3 | 58 | 174 | -161.4 | -2.8 | 111.9 | I498 D509 R557 R558 V559 L564 Q565 | I498-R561 HydrophobicContact CG2-CB 4.37Å; I498-R561 HydrophobicContact CG2-CG 4.22Å; D509-R561 IonicContact OD1-CZ 3.96Å; D509-R561 VanDerWaalsContact OD1-CZ 3.28Å; D509-R561 IonicContact OD1-NE 3.37Å; D509-R561 PolarHBondContact OD1-NE 3.21Å; D509-R561 VanDerWaalsContact OD1-NE 3.17Å; D509-R561 IonicContact OD1-NH2 3.18Å; D509-R561 PolarHBondContact OD1-NH2 3.21Å; D509-R561 IonicContact OD2-CZ 3.84Å; D509-R561 IonicContact OD2-NH2 3.82Å; D509-R561 PolarHBondContact OD2-NH2 3.12Å; R557-R561 WeakPolarHBondContact O-CB 3.46Å; R557-R561 PolarHBondContact O-N 3.19Å; R558-R561 PolarHBondContact O-N 2.98Å; V559-R561 VanDerWaalsContact C-N 3.33Å; V559-R561 PolarHBondContact O-N 3.48Å; R561-L564 PolarHBondContact O-N 2.77Å; R561-Q565 WeakPolarHBondContact O-CG 3.34Å; R561-Q565 PolarHBondContact O-N 3.24Å; R561-Q565 VanDerWaalsContact O-N 3.15Å |
| 562 | L | 93.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.5 | -43.8 | 177.6 | -171.4 | 151.6 | 0 | 0 | 0 | 111.3 | L491 L495 I498 L512 F515 L532 R558 V559 I560 L564 Q565 W566 | L491-L562 HydrophobicContact CD1-CD1 3.98Å; L495-L562 HydrophobicContact CD2-CB 3.99Å; L495-L562 HydrophobicContact CD2-CD1 3.66Å; L495-L562 HydrophobicContact CD2-CG 4.41Å; L495-L562 HydrophobicContact CG-CD1 4.04Å; I498-L562 HydrophobicContact CD1-CB 4.06Å; L512-L562 HydrophobicContact CD2-CD1 4.41Å; F515-L562 HydrophobicContact CD1-CD1 4.47Å; F515-L562 HydrophobicContact CE1-CD1 4.35Å; L532-L562 HydrophobicContact CD1-CD2 4.17Å; L532-L562 HydrophobicContact CD2-CD2 3.77Å; R558-L562 PolarHBondContact O-N 2.73Å; V559-L562 PolarHBondContact O-N 3.35Å; I560-L562 VanDerWaalsContact C-N 3.33Å; I560-L562 PolarHBondContact O-N 3.49Å; L562-L564 PolarHBondContact O-N 3.49Å; L562-Q565 PolarHBondContact O-N 2.89Å; L562-W566 WeakPolarHBondContact O-CB 3.33Å; L562-W566 PolarHBondContact O-N 3.15Å |
| 563 | V | 95.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -41.7 | 176.9 | 171.6 | 0 | 0 | 0 | 0 | 111.7 | L532 V559 I560 Q565 W566 A567 F583 L584 F587 L608 | L532-V563 HydrophobicContact CD1-CG2 4.05Å; V559-V563 HydrophobicContact CG1-CG2 4.4Å; V559-V563 WeakPolarHBondContact O-CG2 3.29Å; V559-V563 PolarHBondContact O-N 3.24Å; I560-V563 PolarHBondContact O-N 3.34Å; V563-Q565 PolarHBondContact O-N 3.33Å; V563-W566 HydrophobicContact CG1-CE3 4.4Å; V563-W566 PolarHBondContact O-N 3.35Å; V563-A567 WeakPolarHBondContact O-CB 3.33Å; V563-A567 PolarHBondContact O-N 3.46Å; V563-F583 HydrophobicContact CG1-CE1 4.2Å; V563-F583 HydrophobicContact CG2-CE1 4.14Å; V563-F583 HydrophobicContact CG2-CZ 3.88Å; V563-L584 HydrophobicContact CG1-CD2 3.84Å; V563-F587 HydrophobicContact CB-CD1 4.46Å; V563-F587 HydrophobicContact CB-CE1 3.93Å; V563-F587 HydrophobicContact CB-CZ 4.44Å; V563-F587 HydrophobicContact CG1-CD1 3.92Å; V563-F587 HydrophobicContact CG1-CE1 3.86Å; V563-F587 HydrophobicContact CG2-CD1 4.34Å; V563-F587 HydrophobicContact CG2-CE1 3.85Å; V563-F587 HydrophobicContact CG2-CE2 4.49Å; V563-F587 HydrophobicContact CG2-CZ 3.93Å; V563-L608 HydrophobicContact CG1-CD1 4.35Å |
| 564 | L | 92.8 | Very high | 91.5 | Very high | 8 Ų | 8 | 24.8 Ų | 24.8 | 4% | 0.042 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.4 | -71.2 | 170 | 0 | 0 | 0 | 111.7 | I560 R561 L562 A568 E607 L608 I611 | I560-L564 HydrophobicContact CG2-CD1 3.95Å; I560-L564 HydrophobicContact CG2-CG 4.28Å; I560-L564 VanDerWaalsContact O-CG 3.3Å; I560-L564 WeakPolarHBondContact O-CG 3.41Å; I560-L564 PolarHBondContact O-N 3.27Å; R561-L564 PolarHBondContact O-N 2.77Å; L562-L564 PolarHBondContact O-N 3.49Å; L564-A568 WeakPolarHBondContact O-CB 3.48Å; L564-A568 PolarHBondContact O-N 3.19Å; L564-E607 HydrophobicContact CD1-CB 4.41Å; L564-E607 HydrophobicContact CD2-CB 3.93Å; L564-L608 HydrophobicContact CD2-CB 4.14Å; L564-L608 HydrophobicContact CD2-CD1 4.23Å; L564-I611 HydrophobicContact CD2-CD1 3.78Å |
| 565 | Q | 93.1 | Very high | 91.6 | Very high | 39 Ų | 39 | 24.7 Ų | 24.7 | 18% | 0.182 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -69.7 | -37.3 | 178.3 | -66.5 | -64.8 | -39.1 | 0 | 0 | 112.1 | D509 L512 I516 R561 L562 V563 A568 M569 | D509-Q565 VanDerWaalsContact CG-CD 3.46Å; D509-Q565 VanDerWaalsContact CG-NE2 3.29Å; D509-Q565 VanDerWaalsContact OD1-CD 3.3Å; D509-Q565 PolarHBondContact OD1-NE2 3.13Å; D509-Q565 PolarHBondContact OD2-NE2 3.17Å; D509-Q565 VanDerWaalsContact OD2-NE2 3.13Å; L512-Q565 HydrophobicContact CD1-CG 4.35Å; I516-Q565 HydrophobicContact CD1-CB 3.29Å; I516-Q565 HydrophobicContact CD1-CG 4.46Å; R561-Q565 WeakPolarHBondContact O-CG 3.34Å; R561-Q565 PolarHBondContact O-N 3.24Å; R561-Q565 VanDerWaalsContact O-N 3.15Å; L562-Q565 PolarHBondContact O-N 2.89Å; V563-Q565 PolarHBondContact O-N 3.33Å; Q565-A568 PolarHBondContact O-N 3.06Å; Q565-M569 PolarHBondContact O-N 2.82Å |
| 566 | W | 96.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -62.9 | -47.6 | 173.8 | 166.7 | 85.8 | 0 | 0 | 0 | 111.4 | I516 H519 N525 L562 V563 A568 M569 Y570 L574 S580 F583 L584 | I516-W566 HydrophobicContact CG2-CB 4.35Å; H519-W566 AromaticContact CE1-NE1 3.85Å; H519-W566 AromaticContact NE2-CD1 3.52Å; H519-W566 AromaticContact NE2-NE1 3.51Å; N525-W566 PolarHBondContact OD1-NE1 2.95Å; L562-W566 WeakPolarHBondContact O-CB 3.33Å; L562-W566 PolarHBondContact O-N 3.15Å; V563-W566 HydrophobicContact CG1-CE3 4.4Å; V563-W566 PolarHBondContact O-N 3.35Å; W566-A568 VanDerWaalsContact C-N 3.31Å; W566-A568 PolarHBondContact O-N 3.41Å; W566-M569 WeakPolarHBondContact O-CB 3.49Å; W566-M569 PolarHBondContact O-N 2.88Å; W566-Y570 AromaticContact CD1-CD2 3.95Å; W566-Y570 AromaticContact CD1-CE2 3.66Å; W566-Y570 HydrophobicContact CG-CD2 4.49Å; W566-Y570 AromaticContact NE1-CD2 3.72Å; W566-Y570 AromaticContact NE1-CE2 3.3Å; W566-Y570 VanDerWaalsContact NE1-CE2 3.3Å; W566-Y570 WeakPolarHBondContact O-CD2 3.42Å; W566-Y570 PolarHBondContact O-N 2.83Å; W566-L574 HydrophobicContact CH2-CD2 3.61Å; W566-L574 HydrophobicContact CZ2-CD2 3.93Å; W566-L574 HydrophobicContact CZ3-CD2 4.03Å; W566-S580 WeakPolarHBondContact CZ2-OG 3.27Å; W566-F583 HydrophobicContact CH2-CD1 4.01Å; W566-F583 HydrophobicContact CH2-CE1 4.37Å; W566-F583 HydrophobicContact CZ3-CD1 4.01Å; W566-F583 HydrophobicContact CZ3-CE1 4Å; W566-L584 HydrophobicContact CH2-CD1 4.32Å; W566-L584 HydrophobicContact CH2-CG 4.25Å; W566-L584 HydrophobicContact CZ3-CD1 3.86Å; W566-L584 HydrophobicContact CZ3-CD2 3.78Å; W566-L584 HydrophobicContact CZ3-CG 3.71Å |
| 567 | A | 94.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -37.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V563 Y570 G571 L574 I611 | V563-A567 WeakPolarHBondContact O-CB 3.33Å; V563-A567 PolarHBondContact O-N 3.46Å; A567-Y570 PolarHBondContact O-N 3.3Å; A567-G571 PolarHBondContact O-N 3.2Å; A567-L574 HydrophobicContact CB-CD1 4.1Å; A567-I611 HydrophobicContact CB-CD1 4.03Å; A567-I611 HydrophobicContact CB-CG2 4.02Å |
| 568 | A | 92.4 | Very high | 91.6 | Very high | 71 Ų | 71 | 30.3 Ų | 30.3 | 59% | 0.587 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -65.7 | -35.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L564 Q565 W566 | L564-A568 WeakPolarHBondContact O-CB 3.48Å; L564-A568 PolarHBondContact O-N 3.19Å; Q565-A568 PolarHBondContact O-N 3.06Å; W566-A568 VanDerWaalsContact C-N 3.31Å; W566-A568 PolarHBondContact O-N 3.41Å |
| 569 | M | 93.9 | Very high | 91.9 | Very high | 17 Ų | 17 | 30.5 Ų | 30.5 | 8% | 0.084 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.2 | 173.5 | 64.6 | 67.9 | 0 | 0 | 111.9 | I516 M517 Q565 W566 H774 L776 | I516-M569 HydrophobicContact CG2-CB 3.42Å; I516-M569 VanDerWaalsContact CG2-CB 3.42Å; I516-M569 HydrophobicContact CG2-CE 4.24Å; I516-M569 HydrophobicContact CG2-CG 3.82Å; M517-M569 HydrophobicContact CB-CE 3.85Å; M517-M569 HydrophobicContact CE-CE 3.76Å; M517-M569 HydrophobicContact CE-SD 4.41Å; M517-M569 HydrophobicContact CG-CE 4.27Å; M517-M569 HydrophobicContact CG-SD 4.49Å; Q565-M569 PolarHBondContact O-N 2.82Å; W566-M569 WeakPolarHBondContact O-CB 3.49Å; W566-M569 PolarHBondContact O-N 2.88Å; M569-H774 PolarHBondContact O-CE1 2.88Å; M569-H774 PolarHBondContact O-NE2 2.91Å; M569-H774 VanDerWaalsContact O-NE2 3.13Å; M569-L776 HydrophobicContact CG-CD1 4.5Å; M569-L776 HydrophobicContact CG-CD2 4.42Å; M569-L776 HydrophobicContact SD-CD2 4.46Å |
| 570 | Y | 93.6 | Very high | 91.9 | Very high | 9 Ų | 9 | 30.5 Ų | 30.5 | 4% | 0.035 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -76.7 | -38.5 | -179.8 | -82.1 | -101.5 | 0 | 0 | 0 | 112.3 | H519 N525 W566 A567 D572 L573 L574 L776 | H519-Y570 PolarHBondContact CE1-OH 2.74Å; H519-Y570 AromaticContact NE2-CE2 3.43Å; H519-Y570 WeakPolarHBondContact NE2-CE2 3.41Å; H519-Y570 AromaticContact NE2-CZ 3.76Å; H519-Y570 PolarHBondContact NE2-OH 2.78Å; N525-Y570 PolarHBondContact ND2-OH 2.97Å; W566-Y570 AromaticContact CD1-CD2 3.95Å; W566-Y570 AromaticContact CD1-CE2 3.66Å; W566-Y570 HydrophobicContact CG-CD2 4.49Å; W566-Y570 AromaticContact NE1-CD2 3.72Å; W566-Y570 AromaticContact NE1-CE2 3.3Å; W566-Y570 VanDerWaalsContact NE1-CE2 3.3Å; W566-Y570 WeakPolarHBondContact O-CD2 3.42Å; W566-Y570 PolarHBondContact O-N 2.83Å; A567-Y570 PolarHBondContact O-N 3.3Å; Y570-D572 PolarHBondContact O-N 3.49Å; Y570-L573 HydrophobicContact CD1-CB 4.26Å; Y570-L573 VanDerWaalsContact O-CB 3.3Å; Y570-L573 WeakPolarHBondContact O-CB 3.38Å; Y570-L573 PolarHBondContact O-N 3.31Å; Y570-L574 HydrophobicContact CG-CD2 4.13Å; Y570-L776 HydrophobicContact CD1-CD1 3.92Å; Y570-L776 HydrophobicContact CD2-CD1 4.32Å; Y570-L776 HydrophobicContact CE1-CD1 3.86Å; Y570-L776 HydrophobicContact CE2-CD1 4.26Å; Y570-L776 HydrophobicContact CG-CD1 4.15Å |
| 571 | G | 91.6 | Very high | 91.8 | Very high | 31 Ų | 31 | 32 Ų | 32 | 32% | 0.32 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | 50.9 | -122.8 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A567 L573 L574 | A567-G571 PolarHBondContact O-N 3.2Å; G571-L573 PolarHBondContact O-N 3.15Å; G571-L574 WeakPolarHBondContact O-CG 3.49Å; G571-L574 PolarHBondContact O-N 3.42Å |
| 572 | D | 87.4 | Confident | 91.9 | Very high | 72 Ų | 72 | 33.1 Ų | 33.1 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -60.5 | -23 | 179.1 | -73.9 | 1.7 | 0 | 0 | 0 | 114.3 | Y570 L574 Q575 R647 | Y570-D572 PolarHBondContact O-N 3.49Å; D572-L574 PolarHBondContact O-N 2.85Å; D572-Q575 PolarHBondContact O-N 3.28Å; D572-R647 IonicContact OD1-NH2 2.66Å; D572-R647 IonicContact OD2-CZ 3.65Å; D572-R647 IonicContact OD2-NH2 3.94Å; D572-R647 PolarHBondContact OD2-NH2 3.29Å |
| 573 | L | 90.1 | Very high | 92.1 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 20% | 0.204 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -70.8 | -13 | -179.2 | -65.9 | 178.7 | 0 | 0 | 0 | 113.4 | Y570 G571 Q575 E576 H774 L776 | Y570-L573 HydrophobicContact CD1-CB 4.26Å; Y570-L573 VanDerWaalsContact O-CB 3.3Å; Y570-L573 WeakPolarHBondContact O-CB 3.38Å; Y570-L573 PolarHBondContact O-N 3.31Å; G571-L573 PolarHBondContact O-N 3.15Å; L573-Q575 PolarHBondContact O-N 2.67Å; L573-E576 HydrophobicContact CD2-CG 4.49Å; L573-E576 WeakPolarHBondContact O-CB 3.45Å; L573-E576 PolarHBondContact O-N 2.98Å; L573-E576 VanDerWaalsContact O-N 3.09Å; L573-H774 HydrophobicContact CD1-CB 4.06Å; L573-H774 VanDerWaalsContact CD1-CG 3.46Å; L573-H774 WeakPolarHBondContact CD1-ND1 3.45Å; L573-L776 HydrophobicContact CD1-CD1 4.25Å |
| 574 | L | 90.8 | Very high | 92 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -58 | -33 | 173.3 | -71.4 | 167.9 | 0 | 0 | 0 | 111.6 | W566 A567 Y570 G571 D572 E576 D577 M581 L584 I615 | W566-L574 HydrophobicContact CH2-CD2 3.61Å; W566-L574 HydrophobicContact CZ2-CD2 3.93Å; W566-L574 HydrophobicContact CZ3-CD2 4.03Å; A567-L574 HydrophobicContact CB-CD1 4.1Å; Y570-L574 HydrophobicContact CG-CD2 4.13Å; G571-L574 WeakPolarHBondContact O-CG 3.49Å; G571-L574 PolarHBondContact O-N 3.42Å; D572-L574 PolarHBondContact O-N 2.85Å; L574-E576 PolarHBondContact O-N 3.34Å; L574-E576 VanDerWaalsContact O-N 3.12Å; L574-D577 PolarHBondContact O-N 3.07Å; L574-D577 VanDerWaalsContact O-N 3.09Å; L574-M581 HydrophobicContact CB-SD 4.19Å; L574-M581 WeakPolarHBondContact O-CG 3.42Å; L574-L584 HydrophobicContact CD1-CD1 3.68Å; L574-L584 HydrophobicContact CD2-CD1 4.15Å; L574-L584 HydrophobicContact CG-CD1 4.45Å; L574-I615 HydrophobicContact CB-CD1 4.38Å; L574-I615 HydrophobicContact CD1-CD1 3.69Å |
| 575 | Q | 86.6 | Confident | 91.9 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 25% | 0.252 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -64.8 | -16.1 | 178.7 | -63.5 | 176.5 | 11 | 0 | 0 | 113.3 | D572 L573 I615 | D572-Q575 PolarHBondContact O-N 3.28Å; L573-Q575 PolarHBondContact O-N 2.67Å; Q575-I615 HydrophobicContact CG-CG2 3.72Å |
| 576 | E | 86.4 | Confident | 92 | Very high | 40 Ų | 40 | 42 Ų | 42 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -90 | -3.7 | 179.1 | -55.3 | -72.5 | 130.4 | 0 | 0 | 112.4 | L573 L574 G648 S649 K790 | L573-E576 HydrophobicContact CD2-CG 4.49Å; L573-E576 WeakPolarHBondContact O-CB 3.45Å; L573-E576 PolarHBondContact O-N 2.98Å; L573-E576 VanDerWaalsContact O-N 3.09Å; L574-E576 PolarHBondContact O-N 3.34Å; L574-E576 VanDerWaalsContact O-N 3.12Å; E576-G648 VanDerWaalsContact OE2-CA 3.23Å; E576-G648 WeakPolarHBondContact OE2-CA 3.42Å; E576-G648 PolarHBondContact OE2-N 2.99Å; E576-G648 VanDerWaalsContact OE2-N 3.1Å; E576-S649 VanDerWaalsContact OE1-CB 3.32Å; E576-S649 WeakPolarHBondContact OE1-CB 3.41Å; E576-S649 PolarHBondContact OE1-OG 3.08Å; E576-S649 PolarHBondContact OE2-N 2.85Å; E576-K790 VanDerWaalsContact C-NZ 3.26Å; E576-K790 PolarHBondContact O-NZ 3Å |
| 577 | D | 89.8 | Confident | 92 | Very high | 29 Ų | 29 | 42.1 Ų | 42.1 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | trans | -131.6 | 98.8 | -175.4 | -175.5 | 5.1 | 0 | 0 | 0 | 111.9 | N525 L574 V579 S580 M581 | N525-D577 PolarHBondContact ND2-OD2 2.9Å; L574-D577 PolarHBondContact O-N 3.07Å; L574-D577 VanDerWaalsContact O-N 3.09Å; D577-V579 PolarHBondContact O-N 3.17Å; D577-V579 PolarHBondContact OD1-N 2.9Å; D577-S580 VanDerWaalsContact CG-OG 3.28Å; D577-S580 WeakPolarHBondContact O-CB 3.3Å; D577-S580 PolarHBondContact O-N 3.26Å; D577-S580 PolarHBondContact OD2-OG 3.11Å; D577-M581 PolarHBondContact O-N 3.09Å; D577-M581 VanDerWaalsContact O-N 3.09Å | ||
| 578 | D | 90.1 | Very high | 92 | Very high | 135 Ų | 135 | 44.7 Ų | 44.7 | 72% | 0.722 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -56.6 | -33.7 | -178.4 | -60.3 | -34.8 | 0 | 0 | 0 | 113 | M581 A582 | D578-M581 PolarHBondContact O-N 3.2Å; D578-A582 WeakPolarHBondContact O-CB 3.35Å; D578-A582 PolarHBondContact O-N 3.11Å |
| 579 | V | 94.2 | Very high | 92.1 | Very high | 60 Ų | 60 | 45 Ų | 45 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.1 | -43.3 | 178.7 | 178.3 | 0 | 0 | 0 | 0 | 110.5 | T526 D577 M581 F583 | T526-V579 HydrophobicContact CG2-CG2 4.29Å; D577-V579 PolarHBondContact O-N 3.17Å; D577-V579 PolarHBondContact OD1-N 2.9Å; V579-M581 VanDerWaalsContact C-N 3.32Å; V579-M581 PolarHBondContact O-N 3.25Å; V579-F583 VanDerWaalsContact O-CB 3.3Å; V579-F583 WeakPolarHBondContact O-CB 3.44Å; V579-F583 PolarHBondContact O-N 3.06Å |
| 580 | S | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 177.6 | -68 | 0 | 0 | 0 | 0 | 111.7 | N525 W566 D577 L584 | N525-S580 PolarHBondContact ND2-OG 3.28Å; W566-S580 WeakPolarHBondContact CZ2-OG 3.27Å; D577-S580 VanDerWaalsContact CG-OG 3.28Å; D577-S580 WeakPolarHBondContact O-CB 3.3Å; D577-S580 PolarHBondContact O-N 3.26Å; D577-S580 PolarHBondContact OD2-OG 3.11Å; S580-L584 WeakPolarHBondContact O-CG 3.47Å; S580-L584 PolarHBondContact O-N 2.98Å |
| 581 | M | 91.2 | Very high | 92.2 | Very high | 32 Ų | 32 | 45.1 Ų | 45.1 | 16% | 0.158 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.2 | -51.7 | 176.8 | -75.1 | -55.9 | -56.7 | 0 | 0 | 112.4 | L574 D577 D578 V579 F583 L584 E585 I615 | L574-M581 HydrophobicContact CB-SD 4.19Å; L574-M581 WeakPolarHBondContact O-CG 3.42Å; D577-M581 PolarHBondContact O-N 3.09Å; D577-M581 VanDerWaalsContact O-N 3.09Å; D578-M581 PolarHBondContact O-N 3.2Å; V579-M581 VanDerWaalsContact C-N 3.32Å; V579-M581 PolarHBondContact O-N 3.25Å; M581-F583 VanDerWaalsContact C-N 3.29Å; M581-F583 PolarHBondContact O-N 3.13Å; M581-L584 PolarHBondContact O-N 2.95Å; M581-E585 WeakPolarHBondContact O-CG 3.43Å; M581-E585 PolarHBondContact O-N 2.81Å; M581-E585 VanDerWaalsContact O-N 3.11Å; M581-I615 HydrophobicContact CE-CB 4.06Å; M581-I615 HydrophobicContact CE-CG2 3.26Å; M581-I615 HydrophobicContact SD-CB 4.39Å; M581-I615 HydrophobicContact SD-CD1 4.27Å; M581-I615 HydrophobicContact SD-CG2 3.4Å; M581-I615 WeakPolarHBondContact SD-CG2 3.44Å |
| 582 | A | 93.4 | Very high | 92.2 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 46% | 0.455 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | D578 E585 E586 | D578-A582 WeakPolarHBondContact O-CB 3.35Å; D578-A582 PolarHBondContact O-N 3.11Å; A582-E585 PolarHBondContact O-N 3.22Å; A582-E586 WeakPolarHBondContact O-CB 3.19Å; A582-E586 PolarHBondContact O-N 3.27Å |
| 583 | F | 96.1 | Very high | 92.5 | Very high | 9 Ų | 9 | 44.6 Ų | 44.6 | 4% | 0.039 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 175.2 | 165.1 | -105.7 | 0 | 0 | 0 | 112.4 | C529 L532 V533 V563 W566 V579 M581 E585 E586 F587 | C529-F583 HydrophobicContact CB-CB 3.79Å; C529-F583 HydrophobicContact CB-CD1 4.15Å; C529-F583 HydrophobicContact CB-CD2 3.72Å; C529-F583 HydrophobicContact CB-CE2 4.35Å; C529-F583 HydrophobicContact CB-CG 3.59Å; L532-F583 HydrophobicContact CB-CE2 4.16Å; L532-F583 HydrophobicContact CB-CZ 3.96Å; L532-F583 HydrophobicContact CD1-CE1 4.36Å; L532-F583 HydrophobicContact CD1-CZ 4Å; V533-F583 HydrophobicContact CG2-CD2 3.82Å; V533-F583 HydrophobicContact CG2-CE2 3.66Å; V563-F583 HydrophobicContact CG1-CE1 4.2Å; V563-F583 HydrophobicContact CG2-CE1 4.14Å; V563-F583 HydrophobicContact CG2-CZ 3.88Å; W566-F583 HydrophobicContact CH2-CD1 4.01Å; W566-F583 HydrophobicContact CH2-CE1 4.37Å; W566-F583 HydrophobicContact CZ3-CD1 4.01Å; W566-F583 HydrophobicContact CZ3-CE1 4Å; V579-F583 VanDerWaalsContact O-CB 3.3Å; V579-F583 WeakPolarHBondContact O-CB 3.44Å; V579-F583 PolarHBondContact O-N 3.06Å; M581-F583 VanDerWaalsContact C-N 3.29Å; M581-F583 PolarHBondContact O-N 3.13Å; F583-E585 VanDerWaalsContact C-N 3.33Å; F583-E585 PolarHBondContact O-N 2.94Å; F583-E586 PolarHBondContact O-N 3.37Å; F583-F587 HydrophobicContact CD2-CB 4.42Å; F583-F587 HydrophobicContact CE2-CB 4.1Å; F583-F587 HydrophobicContact CE2-CD2 4.08Å; F583-F587 HydrophobicContact CE2-CG 4.24Å; F583-F587 HydrophobicContact CZ-CB 4.21Å; F583-F587 HydrophobicContact CZ-CD2 4.11Å; F583-F587 HydrophobicContact CZ-CG 4.07Å; F583-F587 WeakPolarHBondContact O-CB 3.36Å; F583-F587 PolarHBondContact O-N 3.42Å |
| 584 | L | 94.4 | Very high | 92.6 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.9 | -38.3 | -178.8 | -82.5 | 174.1 | 0 | 0 | 0 | 112.8 | V563 W566 L574 S580 M581 Y588 L608 V612 I615 | V563-L584 HydrophobicContact CG1-CD2 3.84Å; W566-L584 HydrophobicContact CH2-CD1 4.32Å; W566-L584 HydrophobicContact CH2-CG 4.25Å; W566-L584 HydrophobicContact CZ3-CD1 3.86Å; W566-L584 HydrophobicContact CZ3-CD2 3.78Å; W566-L584 HydrophobicContact CZ3-CG 3.71Å; L574-L584 HydrophobicContact CD1-CD1 3.68Å; L574-L584 HydrophobicContact CD2-CD1 4.15Å; L574-L584 HydrophobicContact CG-CD1 4.45Å; S580-L584 WeakPolarHBondContact O-CG 3.47Å; S580-L584 PolarHBondContact O-N 2.98Å; M581-L584 PolarHBondContact O-N 2.95Å; L584-Y588 VanDerWaalsContact O-CB 3.22Å; L584-Y588 WeakPolarHBondContact O-CB 3.49Å; L584-Y588 PolarHBondContact O-N 3.49Å; L584-L608 HydrophobicContact CD2-CD1 4.36Å; L584-V612 HydrophobicContact CB-CG2 4.49Å; L584-I615 HydrophobicContact CD1-CD1 4.06Å |
| 585 | E | 91.7 | Very high | 92.6 | Very high | 97 Ų | 97 | 44.8 Ų | 44.8 | 45% | 0.453 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.9 | -49.1 | 176.4 | -69.7 | 179.6 | 172.2 | 0 | 0 | 111.3 | M581 A582 F583 Y588 V589 | M581-E585 WeakPolarHBondContact O-CG 3.43Å; M581-E585 PolarHBondContact O-N 2.81Å; M581-E585 VanDerWaalsContact O-N 3.11Å; A582-E585 PolarHBondContact O-N 3.22Å; F583-E585 VanDerWaalsContact C-N 3.33Å; F583-E585 PolarHBondContact O-N 2.94Å; E585-Y588 PolarHBondContact O-N 3.26Å; E585-V589 WeakPolarHBondContact O-CG2 3.35Å; E585-V589 PolarHBondContact O-N 3.22Å; E585-V589 VanDerWaalsContact O-N 3.17Å |
| 586 | E | 94.7 | Very high | 92.8 | Very high | 125 Ų | 125 | 51.4 Ų | 51.4 | 58% | 0.584 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -66.2 | -40.7 | 178.4 | -172.9 | 178.3 | 177.4 | 0 | 0 | 112.3 | A582 F583 V589 S590 | A582-E586 WeakPolarHBondContact O-CB 3.19Å; A582-E586 PolarHBondContact O-N 3.27Å; F583-E586 PolarHBondContact O-N 3.37Å; E586-V589 PolarHBondContact O-N 3.3Å; E586-S590 PolarHBondContact O-N 3.44Å; E586-S590 PolarHBondContact O-OG 3.09Å |
| 587 | F | 95.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.018 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.8 | -172.7 | -104.3 | 0 | 0 | 0 | 111.3 | Y536 V559 I560 V563 F583 V589 S590 V591 L608 | Y536-F587 HydrophobicContact CD1-CE2 4.4Å; Y536-F587 AromaticContact CD2-CE2 3.64Å; Y536-F587 HydrophobicContact CD2-CE2 3.64Å; Y536-F587 AromaticContact CD2-CZ 3.89Å; Y536-F587 HydrophobicContact CD2-CZ 3.89Å; Y536-F587 HydrophobicContact CE2-CE2 4.16Å; Y536-F587 HydrophobicContact CE2-CZ 4.14Å; Y536-F587 AromaticContact CG-CE2 3.77Å; Y536-F587 HydrophobicContact CG-CE2 3.77Å; Y536-F587 HydrophobicContact CG-CZ 4.48Å; V559-F587 HydrophobicContact CG1-CE2 4.03Å; V559-F587 HydrophobicContact CG1-CZ 3.99Å; I560-F587 HydrophobicContact CG1-CE1 4.12Å; I560-F587 HydrophobicContact CG1-CZ 3.89Å; V563-F587 HydrophobicContact CB-CD1 4.46Å; V563-F587 HydrophobicContact CB-CE1 3.93Å; V563-F587 HydrophobicContact CB-CZ 4.44Å; V563-F587 HydrophobicContact CG1-CD1 3.92Å; V563-F587 HydrophobicContact CG1-CE1 3.86Å; V563-F587 HydrophobicContact CG2-CD1 4.34Å; V563-F587 HydrophobicContact CG2-CE1 3.85Å; V563-F587 HydrophobicContact CG2-CE2 4.49Å; V563-F587 HydrophobicContact CG2-CZ 3.93Å; F583-F587 HydrophobicContact CD2-CB 4.42Å; F583-F587 HydrophobicContact CE2-CB 4.1Å; F583-F587 HydrophobicContact CE2-CD2 4.08Å; F583-F587 HydrophobicContact CE2-CG 4.24Å; F583-F587 HydrophobicContact CZ-CB 4.21Å; F583-F587 HydrophobicContact CZ-CD2 4.11Å; F583-F587 HydrophobicContact CZ-CG 4.07Å; F583-F587 WeakPolarHBondContact O-CB 3.36Å; F583-F587 PolarHBondContact O-N 3.42Å; F587-V589 VanDerWaalsContact C-N 3.35Å; F587-V589 PolarHBondContact O-N 2.94Å; F587-S590 WeakPolarHBondContact O-CB 3.36Å; F587-S590 PolarHBondContact O-N 3.43Å; F587-V591 HydrophobicContact CD1-CG2 4.03Å; F587-V591 HydrophobicContact CE1-CG2 3.69Å; F587-V591 HydrophobicContact CE2-CG2 4.31Å; F587-V591 HydrophobicContact CG-CG2 4.48Å; F587-V591 HydrophobicContact CZ-CG2 3.83Å; F587-V591 VanDerWaalsContact O-CG2 3.27Å; F587-V591 WeakPolarHBondContact O-CG2 3.3Å; F587-V591 PolarHBondContact O-N 2.99Å; F587-L608 HydrophobicContact CD1-CD2 3.99Å; F587-L608 HydrophobicContact CE1-CD2 4.17Å |
| 588 | Y | 94.3 | Very high | 92.7 | Very high | 56 Ų | 56 | 58.8 Ų | 58.8 | 22% | 0.22 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.4 | -41.5 | 174.8 | 170.3 | -102.7 | 0 | 0 | 0 | 112.5 | L584 E585 V591 S592 L605 L608 E609 V612 | L584-Y588 VanDerWaalsContact O-CB 3.22Å; L584-Y588 WeakPolarHBondContact O-CB 3.49Å; L584-Y588 PolarHBondContact O-N 3.49Å; E585-Y588 PolarHBondContact O-N 3.26Å; Y588-V591 PolarHBondContact O-N 3.46Å; Y588-S592 WeakPolarHBondContact CE2-OG 3.3Å; Y588-S592 VanDerWaalsContact O-CB 3.25Å; Y588-S592 WeakPolarHBondContact O-CB 3.32Å; Y588-S592 PolarHBondContact O-N 3.1Å; Y588-S592 PolarHBondContact O-OG 3.22Å; Y588-L605 HydrophobicContact CD2-CD1 4.13Å; Y588-L605 HydrophobicContact CE2-CD1 3.75Å; Y588-L608 HydrophobicContact CD2-CD2 4.1Å; Y588-L608 HydrophobicContact CD2-CG 4.05Å; Y588-E609 HydrophobicContact CE2-CB 3.72Å; Y588-E609 HydrophobicContact CE2-CG 4.07Å; Y588-V612 HydrophobicContact CG-CG2 4.26Å |
| 589 | V | 94.1 | Very high | 92.4 | Very high | 78 Ų | 78 | 55.9 Ų | 55.9 | 47% | 0.473 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 174.6 | 173.1 | 0 | 0 | 0 | 0 | 110.3 | E585 E586 F587 V591 S592 D593 | E585-V589 WeakPolarHBondContact O-CG2 3.35Å; E585-V589 PolarHBondContact O-N 3.22Å; E585-V589 VanDerWaalsContact O-N 3.17Å; E586-V589 PolarHBondContact O-N 3.3Å; F587-V589 VanDerWaalsContact C-N 3.35Å; F587-V589 PolarHBondContact O-N 2.94Å; V589-V591 PolarHBondContact O-N 2.82Å; V589-S592 WeakPolarHBondContact O-CB 3.44Å; V589-S592 PolarHBondContact O-N 3.48Å; V589-S592 VanDerWaalsContact O-N 3.16Å; V589-D593 PolarHBondContact O-N 3.29Å |
| 590 | S | 94.5 | Very high | 91.8 | Very high | 28 Ų | 28 | 55.1 Ų | 55.1 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 179 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | E586 F587 D593 D594 | E586-S590 PolarHBondContact O-N 3.44Å; E586-S590 PolarHBondContact O-OG 3.09Å; F587-S590 WeakPolarHBondContact O-CB 3.36Å; F587-S590 PolarHBondContact O-N 3.43Å; S590-D593 PolarHBondContact O-N 3.1Å; S590-D594 PolarHBondContact O-N 2.52Å; S590-D594 VanDerWaalsContact O-N 3.1Å |
| 591 | V | 94.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 177.9 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | Y536 I560 F587 Y588 V589 A595 L605 L608 | Y536-V591 HydrophobicContact CE2-CG2 3.98Å; Y536-V591 WeakPolarHBondContact OH-CA 3.31Å; I560-V591 HydrophobicContact CD1-CG1 3.76Å; I560-V591 HydrophobicContact CD1-CG2 4.03Å; I560-V591 HydrophobicContact CG1-CG1 4.38Å; I560-V591 HydrophobicContact CG1-CG2 3.92Å; F587-V591 HydrophobicContact CD1-CG2 4.03Å; F587-V591 HydrophobicContact CE1-CG2 3.69Å; F587-V591 HydrophobicContact CE2-CG2 4.31Å; F587-V591 HydrophobicContact CG-CG2 4.48Å; F587-V591 HydrophobicContact CZ-CG2 3.83Å; F587-V591 VanDerWaalsContact O-CG2 3.27Å; F587-V591 WeakPolarHBondContact O-CG2 3.3Å; F587-V591 PolarHBondContact O-N 2.99Å; Y588-V591 PolarHBondContact O-N 3.46Å; V589-V591 PolarHBondContact O-N 2.82Å; V591-A595 WeakPolarHBondContact O-CB 3.28Å; V591-A595 PolarHBondContact O-N 3.04Å; V591-L605 HydrophobicContact CG1-CD1 4.06Å; V591-L608 HydrophobicContact CB-CD2 4.17Å; V591-L608 HydrophobicContact CG1-CD2 4.39Å; V591-L608 HydrophobicContact CG2-CD2 4.11Å |
| 592 | S | 92.6 | Very high | 90.8 | Very high | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64 | -42.8 | 178 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | Y588 V589 A595 R596 | Y588-S592 WeakPolarHBondContact CE2-OG 3.3Å; Y588-S592 VanDerWaalsContact O-CB 3.25Å; Y588-S592 WeakPolarHBondContact O-CB 3.32Å; Y588-S592 PolarHBondContact O-N 3.1Å; Y588-S592 PolarHBondContact O-OG 3.22Å; V589-S592 WeakPolarHBondContact O-CB 3.44Å; V589-S592 PolarHBondContact O-N 3.48Å; V589-S592 VanDerWaalsContact O-N 3.16Å; S592-A595 PolarHBondContact O-N 3.33Å; S592-R596 WeakPolarHBondContact O-CG 3.34Å; S592-R596 PolarHBondContact O-N 3.37Å |
| 593 | D | 93.4 | Very high | 90.2 | Very high | 75 Ų | 75 | 64 Ų | 64 | 40% | 0.401 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -69.2 | -42.9 | 179.8 | -72.5 | -18.2 | 0 | 0 | 0 | 111.1 | V589 S590 A595 R596 | V589-D593 PolarHBondContact O-N 3.29Å; S590-D593 PolarHBondContact O-N 3.1Å; D593-A595 PolarHBondContact O-N 3.48Å; D593-R596 WeakPolarHBondContact O-CB 3.28Å; D593-R596 PolarHBondContact O-N 3.49Å; D593-R596 IonicContact OD1-CZ 2.85Å; D593-R596 IonicContact OD1-NE 3.08Å; D593-R596 IonicContact OD1-NH2 2.72Å; D593-R596 PolarHBondContact OD1-NH2 3.28Å |
| 594 | D | 92.8 | Very high | 89.4 | Confident | 41 Ų | 41 | 64.7 Ų | 64.7 | 22% | 0.219 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 173.9 | -80.5 | -10.9 | 0 | 0 | 0 | 112.1 | Y536 K556 S590 R596 M597 I598 L601 | Y536-D594 WeakPolarHBondContact CE1-OD2 3.46Å; Y536-D594 PolarHBondContact OH-OD2 3.06Å; Y536-D594 VanDerWaalsContact OH-OD2 3.1Å; K556-D594 WeakPolarHBondContact CE-OD2 3.2Å; K556-D594 IonicContact NZ-OD2 3.79Å; K556-D594 PolarHBondContact NZ-OD2 3.25Å; S590-D594 PolarHBondContact O-N 2.52Å; S590-D594 VanDerWaalsContact O-N 3.1Å; D594-R596 PolarHBondContact O-N 2.85Å; D594-M597 CarbonylContact O-C 3.59Å; D594-M597 PolarHBondContact O-N 3.16Å; D594-I598 HydrophobicContact CB-CD1 4.49Å; D594-I598 WeakPolarHBondContact O-CB 3.46Å; D594-I598 PolarHBondContact O-N 3.34Å; D594-L601 HydrophobicContact CB-CD1 3.8Å |
| 595 | A | 91.3 | Very high | 89 | Confident | 3 Ų | 3 | 66 Ų | 66 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.4 | -18.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.8 | V591 S592 D593 M597 L601 K602 L605 | V591-A595 WeakPolarHBondContact O-CB 3.28Å; V591-A595 PolarHBondContact O-N 3.04Å; S592-A595 PolarHBondContact O-N 3.33Å; D593-A595 PolarHBondContact O-N 3.48Å; A595-M597 VanDerWaalsContact C-N 3.33Å; A595-L601 HydrophobicContact CB-CB 4.04Å; A595-K602 HydrophobicContact CB-CG 4.27Å; A595-K602 WeakPolarHBondContact O-CE 3.46Å; A595-L605 HydrophobicContact CB-CD2 4.11Å |
| 596 | R | 90.1 | Very high | 88.9 | Confident | 192 Ų | 192 | 65 Ų | 65 | 73% | 0.725 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -69.1 | -34.6 | 170.3 | -65.1 | 178.6 | -158.1 | -165.9 | 12.7 | 111.5 | S592 D593 D594 | S592-R596 WeakPolarHBondContact O-CG 3.34Å; S592-R596 PolarHBondContact O-N 3.37Å; D593-R596 WeakPolarHBondContact O-CB 3.28Å; D593-R596 PolarHBondContact O-N 3.49Å; D593-R596 IonicContact OD1-CZ 2.85Å; D593-R596 IonicContact OD1-NE 3.08Å; D593-R596 IonicContact OD1-NH2 2.72Å; D593-R596 PolarHBondContact OD1-NH2 3.28Å; D594-R596 PolarHBondContact O-N 2.85Å |
| 597 | M | 86.7 | Confident | 88.5 | Confident | 173 Ų | 173 | 64 Ų | 64 | 85% | 0.852 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -94.1 | -31.7 | -179.2 | -57.8 | -166.5 | -175.1 | 0 | 0 | 112.4 | D594 A595 | D594-M597 CarbonylContact O-C 3.59Å; D594-M597 PolarHBondContact O-N 3.16Å; A595-M597 VanDerWaalsContact C-N 3.33Å |
| 598 | I | 86.9 | Confident | 88 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | trans | -115.2 | 99.9 | -172.4 | -55 | 176.6 | 0 | 0 | 0 | 109.5 | L553 D594 A600 L601 | L553-I598 HydrophobicContact CD1-CG2 3.47Å; L553-I598 VanDerWaalsContact CD1-CG2 3.47Å; D594-I598 HydrophobicContact CB-CD1 4.49Å; D594-I598 WeakPolarHBondContact O-CB 3.46Å; D594-I598 PolarHBondContact O-N 3.34Å; I598-A600 HydrophobicContact CG2-CB 4.42Å; I598-A600 PolarHBondContact O-N 2.91Å; I598-A600 VanDerWaalsContact O-N 3.16Å; I598-L601 HydrophobicContact CB-CD1 4.13Å; I598-L601 HydrophobicContact CB-CG 4.29Å; I598-L601 HydrophobicContact CD1-CD1 4.17Å; I598-L601 HydrophobicContact CG2-CD1 4.18Å; I598-L601 HydrophobicContact CG2-CG 3.93Å; I598-L601 PolarHBondContact O-N 3.45Å | ||
| 599 | A | 83.4 | Confident | 87.7 | Confident | 75 Ų | 75 | 64 Ų | 64 | 62% | 0.62 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -58.9 | -31.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L601 K602 | A599-L601 PolarHBondContact O-N 2.83Å; A599-K602 WeakPolarHBondContact O-CB 3.28Å; A599-K602 PolarHBondContact O-N 3.27Å |
| 600 | A | 81.3 | Confident | 87.5 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -66.8 | -16.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L553 I598 | L553-A600 HydrophobicContact CD1-CB 4.24Å; L553-A600 HydrophobicContact CD2-CB 4.04Å; I598-A600 HydrophobicContact CG2-CB 4.42Å; I598-A600 PolarHBondContact O-N 2.91Å; I598-A600 VanDerWaalsContact O-N 3.16Å |
| 601 | L | 83.9 | Confident | 87 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -86 | -13.5 | 176.3 | -63.2 | 179 | 0 | 0 | 0 | 113 | L553 K556 R557 I560 D594 A595 I598 A599 E603 Q604 L605 | L553-L601 HydrophobicContact CD1-CD2 4.02Å; L553-L601 HydrophobicContact CD1-CG 4.15Å; K556-L601 HydrophobicContact CB-CD2 4.41Å; K556-L601 HydrophobicContact CD-CD1 4.47Å; R557-L601 HydrophobicContact CG-CD2 3.67Å; I560-L601 HydrophobicContact CD1-CD2 3.86Å; D594-L601 HydrophobicContact CB-CD1 3.8Å; A595-L601 HydrophobicContact CB-CB 4.04Å; I598-L601 HydrophobicContact CB-CD1 4.13Å; I598-L601 HydrophobicContact CB-CG 4.29Å; I598-L601 HydrophobicContact CD1-CD1 4.17Å; I598-L601 HydrophobicContact CG2-CD1 4.18Å; I598-L601 HydrophobicContact CG2-CG 3.93Å; I598-L601 PolarHBondContact O-N 3.45Å; A599-L601 PolarHBondContact O-N 2.83Å; L601-E603 PolarHBondContact O-N 2.75Å; L601-Q604 PolarHBondContact O-N 3.36Å; L601-L605 PolarHBondContact O-N 3.11Å |
| 602 | K | 81.3 | Confident | 86.5 | Confident | 124 Ų | 124 | 68.7 Ų | 68.7 | 54% | 0.539 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -22.5 | -177.9 | -70 | -175.5 | 177.2 | 179.1 | 0 | 114 | A595 A599 P606 | A595-K602 HydrophobicContact CB-CG 4.27Å; A595-K602 WeakPolarHBondContact O-CE 3.46Å; A599-K602 WeakPolarHBondContact O-CB 3.28Å; A599-K602 PolarHBondContact O-N 3.27Å; K602-P606 VanDerWaalsContact O-CD 3.3Å; K602-P606 WeakPolarHBondContact O-CD 3.33Å |
| 603 | E | 80.5 | Confident | 86 | Confident | 150 Ų | 150 | 72.8 Ų | 72.8 | 70% | 0.701 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | -37 | -179.6 | -169.1 | -176.4 | 177.6 | 0 | 0 | 112.4 | L601 | L601-E603 PolarHBondContact O-N 2.75Š|
| 604 | Q | 79.3 | Confident | 85.4 | Confident | 22 Ų | 22 | 74 Ų | 74 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -18.2 | -176.5 | -63.7 | 177.9 | -48 | 0 | 0 | 113.1 | R557 I560 L601 E607 L608 | R557-Q604 PolarHBondContact O-NE2 2.8Å; I560-Q604 HydrophobicContact CG2-CB 3.79Å; I560-Q604 HydrophobicContact CG2-CG 4.38Å; L601-Q604 PolarHBondContact O-N 3.36Å; Q604-E607 PolarHBondContact O-N 2.98Å; Q604-L608 PolarHBondContact O-N 2.86Å |
| 605 | L | 86.8 | Confident | 84.4 | Confident | 31 Ų | 31 | 72.6 Ų | 72.6 | 16% | 0.162 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | -176.4 | -174.5 | 65.7 | 0 | 0 | 0 | 114.1 | Y588 V591 A595 L601 E607 L608 E609 | Y588-L605 HydrophobicContact CD2-CD1 4.13Å; Y588-L605 HydrophobicContact CE2-CD1 3.75Å; V591-L605 HydrophobicContact CG1-CD1 4.06Å; A595-L605 HydrophobicContact CB-CD2 4.11Å; L601-L605 PolarHBondContact O-N 3.11Å; L605-E607 VanDerWaalsContact C-N 3.3Å; L605-E607 PolarHBondContact O-N 3.49Å; L605-L608 PolarHBondContact O-N 3.33Å; L605-E609 WeakPolarHBondContact O-CB 3.11Å; L605-E609 PolarHBondContact O-N 3.4Å |
| 606 | P | 88.7 | Confident | 83.2 | Confident | 75 Ų | 75 | 74 Ų | 74 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.1 | -32.6 | -179.7 | -23.1 | 34.5 | 0 | 0 | 0 | 113.7 | K602 K610 | K602-P606 VanDerWaalsContact O-CD 3.3Å; K602-P606 WeakPolarHBondContact O-CD 3.33Å; P606-K610 WeakPolarHBondContact O-CB 3.46Å; P606-K610 PolarHBondContact O-N 2.77Å |
| 607 | E | 86.2 | Confident | 82 | Confident | 104 Ų | 104 | 71.4 Ų | 71.4 | 49% | 0.486 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -68.1 | -44.2 | 176.7 | -66 | -174 | 173.3 | 0 | 0 | 110.9 | L564 Q604 L605 K610 I611 | L564-E607 HydrophobicContact CD1-CB 4.41Å; L564-E607 HydrophobicContact CD2-CB 3.93Å; Q604-E607 PolarHBondContact O-N 2.98Å; L605-E607 VanDerWaalsContact C-N 3.3Å; L605-E607 PolarHBondContact O-N 3.49Å; E607-K610 WeakPolarHBondContact O-CB 3.41Å; E607-K610 PolarHBondContact O-N 3.42Å; E607-I611 WeakPolarHBondContact O-CG1 3.45Å; E607-I611 PolarHBondContact O-N 3.27Å; E607-I611 VanDerWaalsContact O-N 3.17Å |
| 608 | L | 86.1 | Confident | 80.6 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.6 | -42.7 | 176.3 | -170.6 | 63.7 | 0 | 0 | 0 | 111.3 | V563 L564 L584 F587 Y588 V591 Q604 L605 K610 I611 V612 | V563-L608 HydrophobicContact CG1-CD1 4.35Å; L564-L608 HydrophobicContact CD2-CB 4.14Å; L564-L608 HydrophobicContact CD2-CD1 4.23Å; L584-L608 HydrophobicContact CD2-CD1 4.36Å; F587-L608 HydrophobicContact CD1-CD2 3.99Å; F587-L608 HydrophobicContact CE1-CD2 4.17Å; Y588-L608 HydrophobicContact CD2-CD2 4.1Å; Y588-L608 HydrophobicContact CD2-CG 4.05Å; V591-L608 HydrophobicContact CB-CD2 4.17Å; V591-L608 HydrophobicContact CG1-CD2 4.39Å; V591-L608 HydrophobicContact CG2-CD2 4.11Å; Q604-L608 PolarHBondContact O-N 2.86Å; L605-L608 PolarHBondContact O-N 3.33Å; L608-K610 VanDerWaalsContact C-N 3.31Å; L608-K610 PolarHBondContact O-N 2.98Å; L608-I611 PolarHBondContact O-N 3.09Å; L608-V612 WeakPolarHBondContact O-CG2 3.46Å; L608-V612 PolarHBondContact O-N 3.13Å |
| 609 | E | 87.7 | Confident | 78.8 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 28% | 0.28 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.3 | -42.5 | 175.3 | -171.5 | -178.9 | 178 | 0 | 0 | 111.4 | Y588 L605 I611 V612 K613 | Y588-E609 HydrophobicContact CE2-CB 3.72Å; Y588-E609 HydrophobicContact CE2-CG 4.07Å; L605-E609 WeakPolarHBondContact O-CB 3.11Å; L605-E609 PolarHBondContact O-N 3.4Å; E609-I611 VanDerWaalsContact C-N 3.34Å; E609-I611 PolarHBondContact O-N 3.21Å; E609-V612 PolarHBondContact O-N 2.93Å; E609-K613 HydrophobicContact CG-CD 3.96Å; E609-K613 HydrophobicContact CG-CG 4.29Å; E609-K613 VanDerWaalsContact O-CB 3.23Å; E609-K613 WeakPolarHBondContact O-CB 3.43Å; E609-K613 WeakPolarHBondContact O-CG 3.38Å; E609-K613 PolarHBondContact O-N 3.15Å; E609-K613 WeakPolarHBondContact OE1-CE 3.48Å; E609-K613 IonicContact OE1-NZ 2.72Å; E609-K613 PolarHBondContact OE1-NZ 2.72Å |
| 610 | K | 88.5 | Confident | 76.9 | Confident | 146 Ų | 146 | 71.7 Ų | 71.7 | 64% | 0.635 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 177.2 | -177.2 | -175.7 | 175.9 | -173.2 | 0 | 111.6 | P606 E607 L608 Q614 | P606-K610 WeakPolarHBondContact O-CB 3.46Å; P606-K610 PolarHBondContact O-N 2.77Å; E607-K610 WeakPolarHBondContact O-CB 3.41Å; E607-K610 PolarHBondContact O-N 3.42Å; L608-K610 VanDerWaalsContact C-N 3.31Å; L608-K610 PolarHBondContact O-N 2.98Å; K610-Q614 WeakPolarHBondContact O-CB 3.36Å; K610-Q614 PolarHBondContact O-N 3.39Å |
| 611 | I | 85.1 | Confident | 74.8 | Confident | 34 Ų | 34 | 71.2 Ų | 71.2 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.3 | -52.2 | 178.4 | -67.6 | 168 | 0 | 0 | 0 | 110 | L564 A567 E607 L608 E609 K613 Q614 I615 | L564-I611 HydrophobicContact CD2-CD1 3.78Å; A567-I611 HydrophobicContact CB-CD1 4.03Å; A567-I611 HydrophobicContact CB-CG2 4.02Å; E607-I611 WeakPolarHBondContact O-CG1 3.45Å; E607-I611 PolarHBondContact O-N 3.27Å; E607-I611 VanDerWaalsContact O-N 3.17Å; L608-I611 PolarHBondContact O-N 3.09Å; E609-I611 VanDerWaalsContact C-N 3.34Å; E609-I611 PolarHBondContact O-N 3.21Å; I611-K613 VanDerWaalsContact C-N 3.34Å; I611-K613 PolarHBondContact O-N 2.99Å; I611-Q614 PolarHBondContact O-N 3.2Å; I611-I615 HydrophobicContact CG2-CD1 3.75Å; I611-I615 WeakPolarHBondContact O-CD1 3.46Å; I611-I615 WeakPolarHBondContact O-CG1 3.46Å; I611-I615 PolarHBondContact O-N 3.5Å |
| 612 | V | 83.6 | Confident | 72.4 | Confident | 23 Ų | 23 | 77.3 Ų | 77.3 | 14% | 0.139 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.7 | -41.3 | -178.7 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L584 Y588 L608 E609 I615 S616 | L584-V612 HydrophobicContact CB-CG2 4.49Å; Y588-V612 HydrophobicContact CG-CG2 4.26Å; L608-V612 WeakPolarHBondContact O-CG2 3.46Å; L608-V612 PolarHBondContact O-N 3.13Å; E609-V612 PolarHBondContact O-N 2.93Å; V612-I615 PolarHBondContact O-N 2.95Å; V612-S616 VanDerWaalsContact O-CB 3.29Å; V612-S616 WeakPolarHBondContact O-CB 3.46Å; V612-S616 PolarHBondContact O-N 3.5Å |
| 613 | K | 83.1 | Confident | 70.2 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 46% | 0.457 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 175.1 | -79.7 | -178 | 170.6 | 170.9 | 0 | 112.3 | E609 I611 I615 S616 E617 | E609-K613 HydrophobicContact CG-CD 3.96Å; E609-K613 HydrophobicContact CG-CG 4.29Å; E609-K613 VanDerWaalsContact O-CB 3.23Å; E609-K613 WeakPolarHBondContact O-CB 3.43Å; E609-K613 WeakPolarHBondContact O-CG 3.38Å; E609-K613 PolarHBondContact O-N 3.15Å; E609-K613 WeakPolarHBondContact OE1-CE 3.48Å; E609-K613 IonicContact OE1-NZ 2.72Å; E609-K613 PolarHBondContact OE1-NZ 2.72Å; I611-K613 VanDerWaalsContact C-N 3.34Å; I611-K613 PolarHBondContact O-N 2.99Å; K613-I615 PolarHBondContact O-N 3.43Å; K613-S616 PolarHBondContact O-N 3.06Å; K613-E617 VanDerWaalsContact O-CB 3.29Å; K613-E617 WeakPolarHBondContact O-CB 3.38Å; K613-E617 WeakPolarHBondContact O-CG 3.28Å; K613-E617 PolarHBondContact O-N 2.61Å |
| 614 | Q | 80.1 | Confident | 68.2 | Low | 101 Ų | 101 | 80.8 Ų | 80.8 | 47% | 0.472 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.9 | -40.8 | 178.7 | -177 | 173.8 | -11.5 | 0 | 0 | 110.7 | K610 I611 D618 | K610-Q614 WeakPolarHBondContact O-CB 3.36Å; K610-Q614 PolarHBondContact O-N 3.39Å; I611-Q614 PolarHBondContact O-N 3.2Å; Q614-D618 WeakPolarHBondContact O-CB 3.32Å; Q614-D618 PolarHBondContact O-N 2.85Å |
| 615 | I | 71.8 | Confident | 66.3 | Low | 11 Ų | 11 | 88.6 Ų | 88.6 | 6% | 0.056 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -74.2 | -40 | 178.9 | -52.3 | 157.9 | 0 | 0 | 0 | 111.8 | L574 Q575 M581 L584 I611 V612 K613 A619 | L574-I615 HydrophobicContact CB-CD1 4.38Å; L574-I615 HydrophobicContact CD1-CD1 3.69Å; Q575-I615 HydrophobicContact CG-CG2 3.72Å; M581-I615 HydrophobicContact CE-CB 4.06Å; M581-I615 HydrophobicContact CE-CG2 3.26Å; M581-I615 HydrophobicContact SD-CB 4.39Å; M581-I615 HydrophobicContact SD-CD1 4.27Å; M581-I615 HydrophobicContact SD-CG2 3.4Å; M581-I615 WeakPolarHBondContact SD-CG2 3.44Å; L584-I615 HydrophobicContact CD1-CD1 4.06Å; I611-I615 HydrophobicContact CG2-CD1 3.75Å; I611-I615 WeakPolarHBondContact O-CD1 3.46Å; I611-I615 WeakPolarHBondContact O-CG1 3.46Å; I611-I615 PolarHBondContact O-N 3.5Å; V612-I615 PolarHBondContact O-N 2.95Å; K613-I615 PolarHBondContact O-N 3.43Å; I615-A619 WeakPolarHBondContact O-CB 3.31Å; I615-A619 PolarHBondContact O-N 2.96Å |
| 616 | S | 67.1 | Low | 64.2 | Low | 33 Ų | 33 | 92.4 Ų | 92.4 | 23% | 0.231 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -69.5 | -37.1 | 178.6 | -165 | 0 | 0 | 0 | 0 | 113.1 | V612 K613 A619 K620 | V612-S616 VanDerWaalsContact O-CB 3.29Å; V612-S616 WeakPolarHBondContact O-CB 3.46Å; V612-S616 PolarHBondContact O-N 3.5Å; K613-S616 PolarHBondContact O-N 3.06Å; S616-A619 PolarHBondContact O-N 3.09Å; S616-K620 WeakPolarHBondContact O-CB 3.44Å; S616-K620 WeakPolarHBondContact O-CG 3.31Å; S616-K620 PolarHBondContact O-N 3.22Å |
| 617 | E | 64.1 | Low | 62.4 | Low | 137 Ų | 137 | 93 Ų | 93 | 64% | 0.64 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.9 | -38.8 | 176.4 | -74.4 | -176.8 | 174.4 | 0 | 0 | 111.7 | K613 A619 K620 A621 | K613-E617 VanDerWaalsContact O-CB 3.29Å; K613-E617 WeakPolarHBondContact O-CB 3.38Å; K613-E617 WeakPolarHBondContact O-CG 3.28Å; K613-E617 PolarHBondContact O-N 2.61Å; E617-A619 VanDerWaalsContact C-N 3.3Å; E617-A619 PolarHBondContact O-N 3.36Å; E617-K620 PolarHBondContact O-N 3.48Å; E617-A621 PolarHBondContact O-N 3.44Å |
| 618 | D | 56.2 | Low | 60.7 | Low | 60 Ų | 60 | 89.9 Ų | 89.9 | 32% | 0.321 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.6 | -32.5 | 171.3 | -101.1 | -24.8 | 0 | 0 | 0 | 112 | Q614 K624 | Q614-D618 WeakPolarHBondContact O-CB 3.32Å; Q614-D618 PolarHBondContact O-N 2.85Å; D618-K624 IonicContact OD1-NZ 3.59Å |
| 619 | A | 50.7 | Low | 59.3 | Low | 78 Ų | 78 | 90.2 Ų | 90.2 | 65% | 0.645 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -73.4 | -29.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I615 S616 E617 | I615-A619 WeakPolarHBondContact O-CB 3.31Å; I615-A619 PolarHBondContact O-N 2.96Å; S616-A619 PolarHBondContact O-N 3.09Å; E617-A619 VanDerWaalsContact C-N 3.3Å; E617-A619 PolarHBondContact O-N 3.36Å |
| 620 | K | 42.3 | Very low | 57.4 | Low | 166 Ų | 166 | 92.3 Ų | 92.3 | 72% | 0.722 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -94.4 | -10.8 | -179.6 | -76.2 | -179.7 | -177.9 | 172.3 | 0 | 114.8 | S616 E617 | S616-K620 WeakPolarHBondContact O-CB 3.44Å; S616-K620 WeakPolarHBondContact O-CG 3.31Å; S616-K620 PolarHBondContact O-N 3.22Å; E617-K620 PolarHBondContact O-N 3.48Å |
| 621 | A | 36.9 | Very low | 55.6 | Low | 35 Ų | 35 | 88.8 Ų | 88.8 | 29% | 0.289 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -53.4 | 126.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | E617 Q623 | E617-A621 PolarHBondContact O-N 3.44Å; A621-Q623 PolarHBondContact O-N 2.99Å |
| 622 | P | 33.7 | Very low | 54 | Low | 127 Ų | 127 | 89 Ų | 89 | 83% | 0.825 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 108.9 | -168.5 | 23.9 | -32.9 | 0 | 0 | 0 | 108.4 | K624 | P622-K624 PolarHBondContact O-N 3.35Å; P622-K624 VanDerWaalsContact O-N 3.11Å |
| 623 | Q | 35.9 | Very low | 52.3 | Low | 183 Ų | 183 | 91 Ų | 91 | 86% | 0.855 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 23.1 | 77.8 | 178.3 | -68.4 | 177.6 | -17.5 | 0 | 0 | 111.4 | A621 K625 | A621-Q623 PolarHBondContact O-N 2.99Å; Q623-K625 PolarHBondContact O-N 2.87Å |
| 624 | K | 39.4 | Very low | 50.3 | Low | 164 Ų | 164 | 89.8 Ų | 89.8 | 71% | 0.713 | 45% | 0.454 | S | S | * | . | trans | -55.8 | 98.9 | 150.3 | -87.7 | -179.1 | -175.1 | 159.7 | 0 | 102.9 | D618 P622 H626 | D618-K624 IonicContact OD1-NZ 3.59Å; P622-K624 PolarHBondContact O-N 3.35Å; P622-K624 VanDerWaalsContact O-N 3.11Å; K624-H626 PolarHBondContact O-N 3.48Å | ||
| 625 | K | 38.4 | Very low | 48.4 | Very low | 186 Ų | 186 | 90.5 Ų | 90.5 | 81% | 0.809 | 47% | 0.465 | S | S | * | . | trans | -31.3 | 121.1 | 175.8 | -66 | 172.6 | 176.8 | 177.9 | 0 | 105.2 | Q623 K627 | Q623-K625 PolarHBondContact O-N 2.87Å; K625-K627 WeakPolarHBondContact O-CA 3.14Å; K625-K627 PolarHBondContact O-N 3.13Å | ||
| 626 | H | 42.7 | Very low | 46.8 | Very low | 112 Ų | 112 | 92.2 Ų | 92.2 | 52% | 0.519 | 49% | 0.485 | S | S | . | . | trans | -31.8 | 113.3 | 167.9 | -80.8 | -85.7 | 0 | 0 | 0 | 106.1 | K624 V628 E651 | K624-H626 PolarHBondContact O-N 3.48Å; H626-V628 VanDerWaalsContact O-CG2 3.3Å; H626-V628 WeakPolarHBondContact O-CG2 3.09Å; H626-V628 PolarHBondContact O-N 3.28Å; H626-E651 HydrophobicContact CB-CB 4.29Å; H626-E651 HydrophobicContact CB-CG 3.89Å; H626-E651 WeakPolarHBondContact CB-OE2 2.97Å; H626-E651 IonicContact CG-OE2 2.65Å | ||
| 627 | K | 50.1 | Low | 45.5 | Very low | 86 Ų | 86 | 97.6 Ų | 97.6 | 37% | 0.374 | 51% | 0.511 | S | S | . | . | trans | -70.6 | 92.6 | -164.4 | -171.1 | -178.8 | 179.8 | -173.6 | 0 | 105.1 | K625 L629 E651 | K625-K627 WeakPolarHBondContact O-CA 3.14Å; K625-K627 PolarHBondContact O-N 3.13Å; K627-L629 VanDerWaalsContact C-N 3.34Å; K627-L629 PolarHBondContact O-N 3.09Å; K627-E651 VanDerWaalsContact O-O 3.04Å | ||
| 628 | V | 51.4 | Low | 44.9 | Very low | 39 Ų | 39 | 96.3 Ų | 96.3 | 24% | 0.236 | 51% | 0.505 | C | S | . | . | trans | -66.3 | 105.1 | -176.5 | -174 | 0 | 0 | 0 | 0 | 104.7 | H626 L630 E651 L653 | H626-V628 VanDerWaalsContact O-CG2 3.3Å; H626-V628 WeakPolarHBondContact O-CG2 3.09Å; H626-V628 PolarHBondContact O-N 3.28Å; V628-L630 HydrophobicContact CB-CD1 4.46Å; V628-L630 HydrophobicContact CB-CG 4.45Å; V628-L630 HydrophobicContact CG1-CD1 4.45Å; V628-L630 HydrophobicContact CG1-CG 3.98Å; V628-L630 PolarHBondContact O-N 2.88Å; V628-E651 CarbonylContact C-O 3.51Å; V628-E651 WeakPolarHBondContact CA-O 3.43Å; V628-L653 HydrophobicContact CG1-CB 4.31Å; V628-L653 HydrophobicContact CG1-CD1 3.51Å; V628-L653 HydrophobicContact CG1-CD2 4.46Å; V628-L653 HydrophobicContact CG1-CG 3.44Å; V628-L653 VanDerWaalsContact CG1-CG 3.44Å | ||
| 629 | L | 56.9 | Low | 44.8 | Very low | 8 Ų | 8 | 96.8 Ų | 96.8 | 4% | 0.042 | 50% | 0.503 | C | S | . | . | B | Isolated β-bridge | trans | -69.5 | 73.6 | 173.9 | -65.1 | 173.7 | 0 | 0 | 0 | 107.2 | K627 Q631 I646 D650 E651 V652 V670 | K627-L629 VanDerWaalsContact C-N 3.34Å; K627-L629 PolarHBondContact O-N 3.09Å; L629-Q631 PolarHBondContact O-N 3.06Å; L629-I646 HydrophobicContact CD1-CG2 3.85Å; L629-D650 HydrophobicContact CD1-CB 4.1Å; L629-E651 PolarHBondContact N-O 2.75Å; L629-V652 HydrophobicContact CB-CB 4.43Å; L629-V652 HydrophobicContact CB-CG2 4.34Å; L629-V670 HydrophobicContact CD1-CG2 3.69Å |
| 630 | L | 47.8 | Very low | 45.2 | Very low | 105 Ų | 105 | 94.1 Ų | 94.1 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | trans | -64.3 | -19.6 | 169.3 | -81.9 | 150.3 | 0 | 0 | 0 | 111.3 | V628 L653 | V628-L630 HydrophobicContact CB-CD1 4.46Å; V628-L630 HydrophobicContact CB-CG 4.45Å; V628-L630 HydrophobicContact CG1-CD1 4.45Å; V628-L630 HydrophobicContact CG1-CG 3.98Å; V628-L630 PolarHBondContact O-N 2.88Å; L630-L653 HydrophobicContact CD2-CD1 3.39Å; L630-L653 HydrophobicContact CG-CD1 3.94Å | ||
| 631 | Q | 51 | Low | 46.4 | Very low | 72 Ų | 72 | 91.9 Ų | 91.9 | 34% | 0.336 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -110.2 | -21.4 | -143.5 | -73 | 166.7 | -23.3 | 0 | 0 | 115.4 | L629 E638 | L629-Q631 PolarHBondContact O-N 3.06Å; Q631-E638 PolarHBondContact NE2-OE2 3.22Å |
| 632 | Q | 50.5 | Low | 48.4 | Very low | 39 Ų | 39 | 97.8 Ų | 97.8 | 18% | 0.182 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -90 | -9.3 | -173.1 | -63 | -169.6 | 22.2 | 0 | 0 | 114.2 | R643 | Q632-R643 VanDerWaalsContact CD-NH1 3.3Å; Q632-R643 VanDerWaalsContact OE1-NH2 3.13Å |
| 633 | F | 48.2 | Very low | 50.8 | Low | 63 Ų | 63 | 94.2 Ų | 94.2 | 28% | 0.276 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -123.6 | 10.7 | -176.8 | -57.7 | -74.2 | 0 | 0 | 0 | 113.3 | V652 F654 F713 T714 | F633-V652 HydrophobicContact CD2-CG2 3.98Å; F633-V652 HydrophobicContact CE2-CG2 3.88Å; F633-F654 HydrophobicContact CD1-CD2 4.36Å; F633-F654 AromaticContact CD1-CE2 3.62Å; F633-F654 HydrophobicContact CD1-CE2 3.62Å; F633-F654 HydrophobicContact CD1-CZ 4.47Å; F633-F654 AromaticContact CD2-CD2 3.77Å; F633-F654 HydrophobicContact CD2-CD2 3.77Å; F633-F654 AromaticContact CD2-CE2 3.86Å; F633-F654 HydrophobicContact CD2-CE2 3.86Å; F633-F654 HydrophobicContact CE1-CD2 4.47Å; F633-F654 AromaticContact CE1-CE2 3.65Å; F633-F654 HydrophobicContact CE1-CE2 3.65Å; F633-F654 AromaticContact CE2-CD2 3.89Å; F633-F654 HydrophobicContact CE2-CD2 3.89Å; F633-F654 AromaticContact CE2-CE2 3.89Å; F633-F654 HydrophobicContact CE2-CE2 3.89Å; F633-F654 HydrophobicContact CG-CD2 4.02Å; F633-F654 AromaticContact CG-CE2 3.73Å; F633-F654 HydrophobicContact CG-CE2 3.73Å; F633-F654 HydrophobicContact CZ-CD2 4.24Å; F633-F654 AromaticContact CZ-CE2 3.78Å; F633-F654 HydrophobicContact CZ-CE2 3.78Å; F633-F713 HydrophobicContact CE2-CB 4.4Å; F633-F713 HydrophobicContact CZ-CB 3.95Å; F633-T714 HydrophobicContact CZ-CG2 4.41Å |
| 634 | N | 40.6 | Very low | 53.2 | Low | 81 Ų | 81 | 91.1 Ų | 91.1 | 43% | 0.433 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -123.9 | 161 | 175.9 | -119 | 0.4 | 0 | 0 | 0 | 111.4 | R639 | N634-R639 PolarHBondContact O-NE 2.77Å; N634-R639 PolarHBondContact O-NH2 2.64Å; N634-R639 VanDerWaalsContact O-NH2 3.17Å |
| 635 | T | 40.1 | Very low | 55.6 | Low | 116 Ų | 116 | 86.8 Ų | 86.8 | 71% | 0.712 | 44% | 0.436 | S | S | * | . | trans | -100.2 | 27.2 | -165 | 40.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 636 | G | 39.6 | Very low | 58 | Low | 46 Ų | 46 | 78.2 Ų | 78.2 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -93.5 | 171.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | E638 | G636-E638 PolarHBondContact O-N 2.96Š|
| 637 | D | 39.7 | Very low | 60.3 | Low | 146 Ų | 146 | 75.4 Ų | 75.4 | 78% | 0.781 | 38% | 0.384 | S | S | * | . | G | 310 helix | trans | -56.8 | -11.1 | -176.8 | -96.9 | -34.6 | 0 | 0 | 0 | 116.2 | R639 | D637-R639 PolarHBondContact O-N 3.13Š|
| 638 | E | 50.5 | Low | 62.1 | Low | 111 Ų | 111 | 71.5 Ų | 71.5 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -82.7 | -8.5 | -172.5 | -61.3 | -168.8 | 159.4 | 0 | 0 | 115 | Q631 G636 A640 Q641 | Q631-E638 PolarHBondContact NE2-OE2 3.22Å; G636-E638 PolarHBondContact O-N 2.96Å; E638-A640 PolarHBondContact O-N 2.88Å; E638-Q641 PolarHBondContact O-N 2.84Å |
| 639 | R | 54.4 | Low | 63.9 | Low | 70 Ų | 70 | 72.4 Ų | 72.4 | 26% | 0.264 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -61 | -11.9 | 174.3 | -74 | -176.5 | -178.1 | -171.2 | 7 | 113.8 | N634 D637 Q641 R970 Q971 | N634-R639 PolarHBondContact O-NE 2.77Å; N634-R639 PolarHBondContact O-NH2 2.64Å; N634-R639 VanDerWaalsContact O-NH2 3.17Å; D637-R639 PolarHBondContact O-N 3.13Å; R639-Q641 VanDerWaalsContact C-N 3.28Å; R639-Q641 PolarHBondContact O-N 3.2Å; R639-R970 WeakPolarHBondContact O-CD 3.07Å; R639-Q971 HydrophobicContact CB-CG 3.66Å; R639-Q971 HydrophobicContact CG-CG 4.38Å |
| 640 | A | 58.8 | Low | 65.3 | Low | 22 Ų | 22 | 73.1 Ų | 73.1 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -71.8 | -16.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | E638 R966 | E638-A640 PolarHBondContact O-N 2.88Å; A640-R966 PolarHBondContact O-NE 3.34Å; A640-R966 PolarHBondContact O-NH2 3Å |
| 641 | Q | 67.9 | Low | 67.2 | Low | 118 Ų | 118 | 69.4 Ų | 69.4 | 55% | 0.551 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -68.7 | 156.6 | -177.1 | -69.9 | -172.4 | 5.3 | 0 | 0 | 114 | E638 R639 R970 | E638-Q641 PolarHBondContact O-N 2.84Å; R639-Q641 VanDerWaalsContact C-N 3.28Å; R639-Q641 PolarHBondContact O-N 3.2Å; Q641-R970 PolarHBondContact O-NH1 3.13Å |
| 642 | K | 78.4 | Confident | 68.8 | Low | 160 Ų | 160 | 66 Ų | 66 | 70% | 0.696 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 133.7 | 175.5 | -174.4 | 177.2 | -178.6 | -179.3 | 0 | 110 | E768 | K642-E768 VanDerWaalsContact CA-OE2 3.31Å; K642-E768 WeakPolarHBondContact CA-OE2 3.46Å; K642-E768 HydrophobicContact CG-CG 4.17Å |
| 643 | R | 84.5 | Confident | 70.5 | Confident | 52 Ų | 52 | 66.9 Ų | 66.9 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 147.4 | 179.4 | -55.5 | -71.5 | -74 | 157.6 | 0.6 | 111.6 | Q632 Y765 E768 L769 | Q632-R643 VanDerWaalsContact CD-NH1 3.3Å; Q632-R643 VanDerWaalsContact OE1-NH2 3.13Å; R643-Y765 HydrophobicContact CG-CD2 4.39Å; R643-Y765 HydrophobicContact CG-CE2 3.84Å; R643-E768 HydrophobicContact CB-CB 4.02Å; R643-E768 HydrophobicContact CG-CB 4.14Å; R643-E768 PolarHBondContact N-OE2 3.48Å; R643-L769 HydrophobicContact CG-CD2 3.99Å; R643-L769 HydrophobicContact CG-CG 4.47Å |
| 644 | Q | 86.1 | Confident | 72.5 | Confident | 118 Ų | 118 | 64.4 Ų | 64.4 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | trans | -126 | 151.7 | 171.5 | -70.8 | -177.1 | -18.5 | 0 | 0 | 108.5 | I646 | Q644-I646 PolarHBondContact O-N 3.48Š| ||
| 645 | P | 89.9 | Confident | 75.1 | Confident | 72 Ų | 72 | 63.1 Ų | 63.1 | 47% | 0.468 | 33% | 0.329 | S | S | . | . | trans | -57.1 | 134.9 | 176.7 | -22.4 | 32.4 | 0 | 0 | 0 | 111.4 | C772 | P645-C772 HydrophobicContact CG-CB 4.46Š| ||
| 646 | I | 89.6 | Confident | 77.8 | Confident | 7 Ų | 7 | 57.7 Ų | 57.7 | 4% | 0.036 | 30% | 0.296 | C | S | . | . | trans | -88.4 | 132.1 | 171.9 | -58.2 | 166.2 | 0 | 0 | 0 | 108 | L629 Q644 V670 A793 N794 L797 | L629-I646 HydrophobicContact CD1-CG2 3.85Å; Q644-I646 PolarHBondContact O-N 3.48Å; I646-V670 HydrophobicContact CG2-CB 4.43Å; I646-V670 HydrophobicContact CG2-CG1 4.05Å; I646-V670 HydrophobicContact CG2-CG2 3.97Å; I646-A793 HydrophobicContact CB-CB 4.19Å; I646-A793 HydrophobicContact CD1-CB 4.24Å; I646-A793 HydrophobicContact CG2-CB 3.94Å; I646-N794 WeakPolarHBondContact CB-OD1 3.24Å; I646-N794 PolarHBondContact N-OD1 3.11Å; I646-N794 PolarHBondContact O-ND2 3.34Å; I646-L797 HydrophobicContact CD1-CD1 3.42Å; I646-L797 VanDerWaalsContact CD1-CD1 3.42Å | ||
| 647 | R | 89.7 | Confident | 80.5 | Confident | 52 Ų | 52 | 56 Ų | 56 | 20% | 0.196 | 28% | 0.275 | C | S | . | . | trans | -104.6 | 162.6 | 177 | -60.2 | -176.2 | -179 | -179.5 | -1.8 | 111.1 | D572 S649 D650 | D572-R647 IonicContact OD1-NH2 2.66Å; D572-R647 IonicContact OD2-CZ 3.65Å; D572-R647 IonicContact OD2-NH2 3.94Å; D572-R647 PolarHBondContact OD2-NH2 3.29Å; R647-S649 VanDerWaalsContact C-N 3.34Å; R647-D650 PolarHBondContact N-OD2 2.79Å; R647-D650 WeakPolarHBondContact O-CB 3.31Å; R647-D650 PolarHBondContact O-N 3.47Å | ||
| 648 | G | 89.1 | Confident | 83.1 | Confident | 4 Ų | 4 | 50 Ų | 50 | 4% | 0.041 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -69.3 | -35.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | E576 D650 V670 A671 | E576-G648 VanDerWaalsContact OE2-CA 3.23Å; E576-G648 WeakPolarHBondContact OE2-CA 3.42Å; E576-G648 PolarHBondContact OE2-N 2.99Å; E576-G648 VanDerWaalsContact OE2-N 3.1Å; G648-D650 VanDerWaalsContact C-N 3.32Å; G648-V670 PolarHBondContact O-N 3.3Å; G648-V670 VanDerWaalsContact O-N 3.13Å; G648-A671 PolarHBondContact O-N 2.63Å |
| 649 | S | 88.4 | Confident | 85.1 | Confident | 59 Ų | 59 | 48.5 Ų | 48.5 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -75.6 | -13 | 176.3 | 64.3 | 0 | 0 | 0 | 0 | 114.7 | E576 R647 | E576-S649 VanDerWaalsContact OE1-CB 3.32Å; E576-S649 WeakPolarHBondContact OE1-CB 3.41Å; E576-S649 PolarHBondContact OE1-OG 3.08Å; E576-S649 PolarHBondContact OE2-N 2.85Å; R647-S649 VanDerWaalsContact C-N 3.34Å |
| 650 | D | 86.6 | Confident | 87 | Confident | 22 Ų | 22 | 50.1 Ų | 50.1 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -60.6 | 139.4 | 173.1 | -72.7 | -24.1 | 0 | 0 | 0 | 109.4 | L629 R647 G648 P669 V670 | L629-D650 HydrophobicContact CD1-CB 4.1Å; R647-D650 PolarHBondContact N-OD2 2.79Å; R647-D650 WeakPolarHBondContact O-CB 3.31Å; R647-D650 PolarHBondContact O-N 3.47Å; G648-D650 VanDerWaalsContact C-N 3.32Å; D650-P669 CarbonylContact O-C 3.6Å; D650-P669 VanDerWaalsContact O-CA 3.26Å; D650-P669 WeakPolarHBondContact O-CA 3.49Å; D650-V670 HydrophobicContact CB-CG2 4.16Å; D650-V670 WeakPolarHBondContact O-CG2 3.02Å; D650-V670 PolarHBondContact O-N 3.28Å |
| 651 | E | 86.7 | Confident | 88.7 | Confident | 27 Ų | 27 | 52.3 Ų | 52.3 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 141.9 | 177.5 | -70.3 | -174.4 | 131.9 | 0 | 0 | 111.3 | H626 K627 V628 L629 R667 V668 | H626-E651 HydrophobicContact CB-CB 4.29Å; H626-E651 HydrophobicContact CB-CG 3.89Å; H626-E651 WeakPolarHBondContact CB-OE2 2.97Å; H626-E651 IonicContact CG-OE2 2.65Å; K627-E651 VanDerWaalsContact O-O 3.04Å; V628-E651 CarbonylContact C-O 3.51Å; V628-E651 WeakPolarHBondContact CA-O 3.43Å; L629-E651 PolarHBondContact N-O 2.75Å; E651-R667 IonicContact OE1-CZ 3.84Å; E651-R667 IonicContact OE1-NE 2.64Å; E651-R667 PolarHBondContact OE1-NE 2.88Å; E651-R667 IonicContact OE1-NH2 3.08Å; E651-R667 IonicContact OE2-CZ 3.91Å; E651-R667 IonicContact OE2-NE 3.42Å; E651-R667 PolarHBondContact OE2-NE 2.77Å; E651-R667 IonicContact OE2-NH2 3.79Å; E651-R667 PolarHBondContact OE2-NH2 3.42Å; E651-V668 CarbonylContact C-O 3.48Å; E651-V668 WeakPolarHBondContact CA-O 3.34Å |
| 652 | V | 86 | Confident | 90 | Very high | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 140.8 | 174.8 | 65 | 0 | 0 | 0 | 0 | 110.6 | L629 F633 F654 R667 V668 V670 F713 | L629-V652 HydrophobicContact CB-CB 4.43Å; L629-V652 HydrophobicContact CB-CG2 4.34Å; F633-V652 HydrophobicContact CD2-CG2 3.98Å; F633-V652 HydrophobicContact CE2-CG2 3.88Å; V652-F654 HydrophobicContact CG1-CB 4.27Å; V652-F654 HydrophobicContact CG2-CB 4.24Å; V652-F654 HydrophobicContact CG2-CD2 4.21Å; V652-R667 WeakPolarHBondContact O-CA 3.35Å; V652-V668 HydrophobicContact CG1-CG2 4.17Å; V652-V668 WeakPolarHBondContact CG1-O 3.26Å; V652-V668 PolarHBondContact N-O 3.31Å; V652-V668 PolarHBondContact O-N 3.01Å; V652-V670 HydrophobicContact CB-CG2 4.43Å; V652-F713 HydrophobicContact CG1-CD2 3.95Å; V652-F713 HydrophobicContact CG1-CE2 3.84Å; V652-F713 HydrophobicContact CG1-CG 4.42Å; V652-F713 HydrophobicContact CG1-CZ 4.24Å |
| 653 | L | 86.8 | Confident | 90.8 | Very high | 56 Ų | 56 | 47.7 Ų | 47.7 | 29% | 0.293 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 106.8 | 161.4 | -74.6 | 173.9 | 0 | 0 | 0 | 108.4 | V628 L630 T665 I666 R667 | V628-L653 HydrophobicContact CG1-CB 4.31Å; V628-L653 HydrophobicContact CG1-CD1 3.51Å; V628-L653 HydrophobicContact CG1-CD2 4.46Å; V628-L653 HydrophobicContact CG1-CG 3.44Å; V628-L653 VanDerWaalsContact CG1-CG 3.44Å; L630-L653 HydrophobicContact CD2-CD1 3.39Å; L630-L653 HydrophobicContact CG-CD1 3.94Å; L653-T665 HydrophobicContact CB-CG2 4.02Å; L653-T665 HydrophobicContact CD2-CG2 4Å; L653-I666 WeakPolarHBondContact CA-O 3.41Å; L653-R667 HydrophobicContact CD2-CB 3.72Å; L653-R667 HydrophobicContact CD2-CG 4.11Å |
| 654 | F | 89.9 | Confident | 91.2 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 5% | 0.048 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 134.1 | -172.1 | -157.7 | -88 | 0 | 0 | 0 | 111.3 | F633 V652 V656 T665 I666 F713 L716 L722 | F633-F654 HydrophobicContact CD1-CD2 4.36Å; F633-F654 AromaticContact CD1-CE2 3.62Å; F633-F654 HydrophobicContact CD1-CE2 3.62Å; F633-F654 HydrophobicContact CD1-CZ 4.47Å; F633-F654 AromaticContact CD2-CD2 3.77Å; F633-F654 HydrophobicContact CD2-CD2 3.77Å; F633-F654 AromaticContact CD2-CE2 3.86Å; F633-F654 HydrophobicContact CD2-CE2 3.86Å; F633-F654 HydrophobicContact CE1-CD2 4.47Å; F633-F654 AromaticContact CE1-CE2 3.65Å; F633-F654 HydrophobicContact CE1-CE2 3.65Å; F633-F654 AromaticContact CE2-CD2 3.89Å; F633-F654 HydrophobicContact CE2-CD2 3.89Å; F633-F654 AromaticContact CE2-CE2 3.89Å; F633-F654 HydrophobicContact CE2-CE2 3.89Å; F633-F654 HydrophobicContact CG-CD2 4.02Å; F633-F654 AromaticContact CG-CE2 3.73Å; F633-F654 HydrophobicContact CG-CE2 3.73Å; F633-F654 HydrophobicContact CZ-CD2 4.24Å; F633-F654 AromaticContact CZ-CE2 3.78Å; F633-F654 HydrophobicContact CZ-CE2 3.78Å; V652-F654 HydrophobicContact CG1-CB 4.27Å; V652-F654 HydrophobicContact CG2-CB 4.24Å; V652-F654 HydrophobicContact CG2-CD2 4.21Å; F654-V656 HydrophobicContact CD1-CG2 4.25Å; F654-T665 CarbonylContact O-C 3.58Å; F654-T665 WeakPolarHBondContact O-CA 3.37Å; F654-I666 HydrophobicContact CB-CG1 4.23Å; F654-I666 PolarHBondContact N-O 2.98Å; F654-I666 PolarHBondContact O-N 2.8Å; F654-F713 HydrophobicContact CB-CD1 4.18Å; F654-F713 HydrophobicContact CB-CE1 4.19Å; F654-F713 AromaticContact CD1-CD1 3.81Å; F654-F713 HydrophobicContact CD1-CD1 3.81Å; F654-F713 HydrophobicContact CD1-CE1 4.13Å; F654-F713 HydrophobicContact CD2-CB 3.97Å; F654-F713 AromaticContact CD2-CD1 3.6Å; F654-F713 HydrophobicContact CD2-CD1 3.6Å; F654-F713 HydrophobicContact CD2-CE1 4.42Å; F654-F713 HydrophobicContact CD2-CG 4Å; F654-F713 HydrophobicContact CE1-CD1 4.09Å; F654-F713 HydrophobicContact CE2-CB 3.78Å; F654-F713 AromaticContact CE2-CD1 3.87Å; F654-F713 HydrophobicContact CE2-CD1 3.87Å; F654-F713 HydrophobicContact CE2-CG 4.22Å; F654-F713 AromaticContact CG-CD1 3.56Å; F654-F713 HydrophobicContact CG-CD1 3.56Å; F654-F713 AromaticContact CG-CE1 3.98Å; F654-F713 HydrophobicContact CG-CE1 3.98Å; F654-F713 HydrophobicContact CG-CG 4.37Å; F654-F713 HydrophobicContact CZ-CB 4.45Å; F654-F713 HydrophobicContact CZ-CD1 4.12Å; F654-L716 HydrophobicContact CZ-CD1 3.75Å; F654-L722 HydrophobicContact CD1-CD2 4.5Å; F654-L722 HydrophobicContact CE1-CB 3.76Å; F654-L722 HydrophobicContact CE1-CD2 4.16Å |
| 655 | K | 94.2 | Very high | 91.6 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 24% | 0.235 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 120.8 | 176.7 | -62.4 | -179.9 | 178.1 | 171.4 | 0 | 109.7 | Y657 Y663 | K655-Y657 HydrophobicContact CB-CE2 3.8Å; K655-Y657 WeakPolarHBondContact CD-OH 3.41Å; K655-Y663 HydrophobicContact CB-CD2 3.82Å; K655-Y663 HydrophobicContact CB-CE2 4.42Å; K655-Y663 HydrophobicContact CB-CG 4.21Å; K655-Y663 HydrophobicContact CD-CD2 3.84Å; K655-Y663 HydrophobicContact CD-CE1 4.36Å; K655-Y663 HydrophobicContact CD-CE2 3.65Å; K655-Y663 HydrophobicContact CD-CG 4.28Å; K655-Y663 HydrophobicContact CG-CD2 3.58Å; K655-Y663 HydrophobicContact CG-CE2 3.67Å; K655-Y663 HydrophobicContact CG-CG 4.31Å |
| 656 | V | 96.1 | Very high | 91.7 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.012 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.5 | 171.3 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | F654 Y663 T664 I666 V681 I693 L722 A724 | F654-V656 HydrophobicContact CD1-CG2 4.25Å; V656-Y663 CarbonylContact O-C 3.58Å; V656-Y663 VanDerWaalsContact O-CA 3.26Å; V656-Y663 WeakPolarHBondContact O-CA 3.37Å; V656-Y663 WeakPolarHBondContact O-CB 3.38Å; V656-T664 PolarHBondContact N-O 3.29Å; V656-T664 PolarHBondContact O-N 3.19Å; V656-I666 HydrophobicContact CG2-CD1 3.91Å; V656-I666 HydrophobicContact CG2-CG1 4.2Å; V656-V681 HydrophobicContact CB-CG2 3.98Å; V656-V681 HydrophobicContact CG1-CG2 4.05Å; V656-V681 HydrophobicContact CG2-CG2 4Å; V656-I693 HydrophobicContact CG1-CD1 4.35Å; V656-L722 HydrophobicContact CG2-CD2 4.26Å; V656-A724 HydrophobicContact CG1-CB 3.71Å |
| 657 | Y | 96.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 4% | 0.043 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 148.5 | -171.3 | -66.7 | -96.4 | 0 | 0 | 0 | 111.9 | K655 T662 Y663 R721 L722 F723 A724 L736 | K655-Y657 HydrophobicContact CB-CE2 3.8Å; K655-Y657 WeakPolarHBondContact CD-OH 3.41Å; Y657-T662 CarbonylContact C-O 3.55Å; Y657-T662 VanDerWaalsContact CA-O 3.28Å; Y657-T662 WeakPolarHBondContact CA-O 3.4Å; Y657-Y663 HydrophobicContact CD1-CD1 4.28Å; Y657-Y663 HydrophobicContact CD1-CG 4.37Å; Y657-Y663 AromaticContact CE1-CD1 3.77Å; Y657-Y663 HydrophobicContact CE1-CD1 3.77Å; Y657-Y663 HydrophobicContact CE1-CG 4.08Å; Y657-R721 HydrophobicContact CD2-CB 4.44Å; Y657-R721 HydrophobicContact CE2-CG 4.5Å; Y657-L722 PolarHBondContact N-O 2.96Å; Y657-F723 VanDerWaalsContact CB-CE1 3.5Å; Y657-F723 HydrophobicContact CG-CE1 4.46Å; Y657-F723 HydrophobicContact CG-CZ 4.46Å; Y657-F723 CarbonylContact O-C 3.53Å; Y657-F723 WeakPolarHBondContact O-CA 3.38Å; Y657-A724 PolarHBondContact O-N 3.49Å; Y657-L736 HydrophobicContact CD1-CD1 3.55Å; Y657-L736 HydrophobicContact CD1-CD2 4.05Å; Y657-L736 HydrophobicContact CD1-CG 4.43Å; Y657-L736 HydrophobicContact CD2-CD1 4.08Å; Y657-L736 HydrophobicContact CE1-CD1 3.37Å; Y657-L736 HydrophobicContact CE1-CD2 4.45Å; Y657-L736 HydrophobicContact CE2-CD1 3.93Å; Y657-L736 HydrophobicContact CG-CD1 3.91Å |
| 658 | C | 94.6 | Very high | 92 | Very high | 19 Ų | 19 | 43.6 Ų | 43.6 | 13% | 0.128 | 22% | 0.219 | C | C | . | . | trans | -95.3 | 173 | 170.6 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | D660 H661 T662 | C658-D660 VanDerWaalsContact CB-OD1 3.3Å; C658-D660 WeakPolarHBondContact CB-OD1 3.46Å; C658-D660 PolarHBondContact O-N 3.3Å; C658-H661 PolarHBondContact O-N 2.87Å; C658-H661 VanDerWaalsContact O-N 3.1Å; C658-T662 PolarHBondContact N-O 2.77Å | ||
| 659 | M | 92.9 | Very high | 92.2 | Very high | 81 Ų | 81 | 46 Ų | 46 | 40% | 0.399 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -29 | 179.8 | 66.3 | 169.2 | -68.3 | 0 | 0 | 114 | H661 Q729 L733 | M659-H661 PolarHBondContact O-CD2 3.19Å; M659-H661 PolarHBondContact O-N 3.49Å; M659-Q729 HydrophobicContact SD-CG 4.28Å; M659-Q729 PolarHBondContact SD-OE1 3.21Å; M659-L733 HydrophobicContact CB-CD2 3.97Å |
| 660 | D | 93.6 | Very high | 92.3 | Very high | 104 Ų | 104 | 43.5 Ų | 43.5 | 56% | 0.556 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | 11 | 179.7 | 66.5 | -7.7 | 0 | 0 | 0 | 112.8 | C658 T662 | C658-D660 VanDerWaalsContact CB-OD1 3.3Å; C658-D660 WeakPolarHBondContact CB-OD1 3.46Å; C658-D660 PolarHBondContact O-N 3.3Å; D660-T662 PolarHBondContact O-N 2.94Å; D660-T662 VanDerWaalsContact O-N 3.15Å; D660-T662 WeakPolarHBondContact OD1-CB 3.41Å; D660-T662 WeakPolarHBondContact OD1-CG2 3.49Å; D660-T662 PolarHBondContact OD1-N 3.16Å; D660-T662 PolarHBondContact OD1-OG1 3.36Å; D660-T662 WeakPolarHBondContact OD2-CG2 3.37Å; D660-T662 PolarHBondContact OD2-OG1 3.39Å |
| 661 | H | 95.6 | Very high | 92.6 | Very high | 67 Ų | 67 | 43.6 Ų | 43.6 | 31% | 0.31 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 65.6 | 7.5 | -178.9 | -57.4 | -179 | 0 | 0 | 0 | 114.6 | C658 M659 T734 L736 | C658-H661 PolarHBondContact O-N 2.87Å; C658-H661 VanDerWaalsContact O-N 3.1Å; M659-H661 PolarHBondContact O-CD2 3.19Å; M659-H661 PolarHBondContact O-N 3.49Å; H661-T734 PolarHBondContact NE2-O 2.85Å; H661-T734 PolarHBondContact NE2-OG1 3.14Å; H661-L736 HydrophobicContact CB-CD2 3.6Å |
| 662 | T | 95.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 42.5 Ų | 42.5 | 45% | 0.448 | 22% | 0.216 | S | C | . | . | trans | -68.5 | 164.7 | 161.9 | 68.5 | 0 | 0 | 0 | 0 | 109.8 | Y657 C658 D660 | Y657-T662 CarbonylContact C-O 3.55Å; Y657-T662 VanDerWaalsContact CA-O 3.28Å; Y657-T662 WeakPolarHBondContact CA-O 3.4Å; C658-T662 PolarHBondContact N-O 2.77Å; D660-T662 PolarHBondContact O-N 2.94Å; D660-T662 VanDerWaalsContact O-N 3.15Å; D660-T662 WeakPolarHBondContact OD1-CB 3.41Å; D660-T662 WeakPolarHBondContact OD1-CG2 3.49Å; D660-T662 PolarHBondContact OD1-N 3.16Å; D660-T662 PolarHBondContact OD1-OG1 3.36Å; D660-T662 WeakPolarHBondContact OD2-CG2 3.37Å; D660-T662 PolarHBondContact OD2-OG1 3.39Å | ||
| 663 | Y | 95.1 | Very high | 93.4 | Very high | 109 Ų | 109 | 43.1 Ų | 43.1 | 43% | 0.427 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 152.9 | 178.2 | 65.6 | -89.6 | 0 | 0 | 0 | 112.8 | K655 V656 Y657 T665 | K655-Y663 HydrophobicContact CB-CD2 3.82Å; K655-Y663 HydrophobicContact CB-CE2 4.42Å; K655-Y663 HydrophobicContact CB-CG 4.21Å; K655-Y663 HydrophobicContact CD-CD2 3.84Å; K655-Y663 HydrophobicContact CD-CE1 4.36Å; K655-Y663 HydrophobicContact CD-CE2 3.65Å; K655-Y663 HydrophobicContact CD-CG 4.28Å; K655-Y663 HydrophobicContact CG-CD2 3.58Å; K655-Y663 HydrophobicContact CG-CE2 3.67Å; K655-Y663 HydrophobicContact CG-CG 4.31Å; V656-Y663 CarbonylContact O-C 3.58Å; V656-Y663 VanDerWaalsContact O-CA 3.26Å; V656-Y663 WeakPolarHBondContact O-CA 3.37Å; V656-Y663 WeakPolarHBondContact O-CB 3.38Å; Y657-Y663 HydrophobicContact CD1-CD1 4.28Å; Y657-Y663 HydrophobicContact CD1-CG 4.37Å; Y657-Y663 AromaticContact CE1-CD1 3.77Å; Y657-Y663 HydrophobicContact CE1-CD1 3.77Å; Y657-Y663 HydrophobicContact CE1-CG 4.08Å; Y663-T665 WeakPolarHBondContact CE2-OG1 3.43Å |
| 664 | T | 93.5 | Very high | 93.9 | Very high | 19 Ų | 19 | 40.5 Ų | 40.5 | 12% | 0.117 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.2 | 168.2 | -63 | 0 | 0 | 0 | 0 | 109.2 | V656 I666 K684 L685 | V656-T664 PolarHBondContact N-O 3.29Å; V656-T664 PolarHBondContact O-N 3.19Å; T664-I666 HydrophobicContact CG2-CG2 4.26Å; T664-K684 HydrophobicContact CG2-CB 3.57Å; T664-K684 HydrophobicContact CG2-CD 3.43Å; T664-K684 VanDerWaalsContact CG2-CD 3.43Å; T664-K684 HydrophobicContact CG2-CG 4.11Å; T664-L685 WeakPolarHBondContact OG1-CD2 3.17Å |
| 665 | T | 94.1 | Very high | 94.1 | Very high | 49 Ų | 49 | 47 Ų | 47 | 30% | 0.301 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 114.2 | 171.4 | -55.6 | 0 | 0 | 0 | 0 | 109.2 | L653 F654 Y663 K684 | L653-T665 HydrophobicContact CB-CG2 4.02Å; L653-T665 HydrophobicContact CD2-CG2 4Å; F654-T665 CarbonylContact O-C 3.58Å; F654-T665 WeakPolarHBondContact O-CA 3.37Å; Y663-T665 WeakPolarHBondContact CE2-OG1 3.43Å; T665-K684 PolarHBondContact O-NZ 3.43Å |
| 666 | I | 92.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 151.8 | 174.2 | 60.9 | 173.5 | 0 | 0 | 0 | 110.8 | L653 F654 V656 T664 V668 V677 A680 V681 | L653-I666 WeakPolarHBondContact CA-O 3.41Å; F654-I666 HydrophobicContact CB-CG1 4.23Å; F654-I666 PolarHBondContact N-O 2.98Å; F654-I666 PolarHBondContact O-N 2.8Å; V656-I666 HydrophobicContact CG2-CD1 3.91Å; V656-I666 HydrophobicContact CG2-CG1 4.2Å; T664-I666 HydrophobicContact CG2-CG2 4.26Å; I666-V668 HydrophobicContact CB-CG1 4.49Å; I666-V668 HydrophobicContact CD1-CG1 4.3Å; I666-V668 HydrophobicContact CD1-CG2 3.95Å; I666-V668 HydrophobicContact CG1-CG2 4.31Å; I666-V677 HydrophobicContact CD1-CB 4.46Å; I666-V677 HydrophobicContact CD1-CG1 3.83Å; I666-V677 HydrophobicContact CD1-CG2 4.34Å; I666-A680 HydrophobicContact CB-CB 4.29Å; I666-A680 HydrophobicContact CG2-CB 4.05Å; I666-V681 HydrophobicContact CG2-CG2 3.79Å |
| 667 | R | 92.4 | Very high | 94.2 | Very high | 133 Ų | 133 | 49.2 Ų | 49.2 | 50% | 0.502 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 107.5 | 172.5 | -177.3 | -179.5 | 173 | -168.5 | -5.5 | 107.8 | E651 V652 L653 | E651-R667 IonicContact OE1-CZ 3.84Å; E651-R667 IonicContact OE1-NE 2.64Å; E651-R667 PolarHBondContact OE1-NE 2.88Å; E651-R667 IonicContact OE1-NH2 3.08Å; E651-R667 IonicContact OE2-CZ 3.91Å; E651-R667 IonicContact OE2-NE 3.42Å; E651-R667 PolarHBondContact OE2-NE 2.77Å; E651-R667 IonicContact OE2-NH2 3.79Å; E651-R667 PolarHBondContact OE2-NH2 3.42Å; V652-R667 WeakPolarHBondContact O-CA 3.35Å; L653-R667 HydrophobicContact CD2-CB 3.72Å; L653-R667 HydrophobicContact CD2-CG 4.11Å |
| 668 | V | 91.8 | Very high | 94.1 | Very high | 12 Ų | 12 | 50.5 Ų | 50.5 | 7% | 0.073 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 156.4 | -175.5 | -64.6 | 0 | 0 | 0 | 0 | 110.4 | E651 V652 I666 T672 A680 F713 | E651-V668 CarbonylContact C-O 3.48Å; E651-V668 WeakPolarHBondContact CA-O 3.34Å; V652-V668 HydrophobicContact CG1-CG2 4.17Å; V652-V668 WeakPolarHBondContact CG1-O 3.26Å; V652-V668 PolarHBondContact N-O 3.31Å; V652-V668 PolarHBondContact O-N 3.01Å; I666-V668 HydrophobicContact CB-CG1 4.49Å; I666-V668 HydrophobicContact CD1-CG1 4.3Å; I666-V668 HydrophobicContact CD1-CG2 3.95Å; I666-V668 HydrophobicContact CG1-CG2 4.31Å; V668-T672 HydrophobicContact CB-CG2 4Å; V668-T672 HydrophobicContact CG1-CG2 4.38Å; V668-T672 HydrophobicContact CG2-CG2 4.19Å; V668-A680 HydrophobicContact CG1-CB 3.88Å; V668-F713 HydrophobicContact CG2-CE2 4.11Å; V668-F713 HydrophobicContact CG2-CZ 3.6Å |
| 669 | P | 93.2 | Very high | 94.1 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 36% | 0.357 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 155.2 | 171.1 | -26.2 | 34.1 | 0 | 0 | 0 | 113.6 | D650 A671 T672 | D650-P669 CarbonylContact O-C 3.6Å; D650-P669 VanDerWaalsContact O-CA 3.26Å; D650-P669 WeakPolarHBondContact O-CA 3.49Å; P669-A671 VanDerWaalsContact C-N 3.3Å; P669-A671 PolarHBondContact O-N 3.39Å; P669-T672 VanDerWaalsContact C-OG1 3.32Å; P669-T672 WeakPolarHBondContact CA-OG1 3.45Å; P669-T672 VanDerWaalsContact CD-OG1 3.22Å; P669-T672 WeakPolarHBondContact CD-OG1 3.19Å; P669-T672 WeakPolarHBondContact O-CB 3.41Å; P669-T672 PolarHBondContact O-N 3.14Å; P669-T672 PolarHBondContact O-OG1 2.93Å |
| 670 | V | 91.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -33.5 | 176.6 | 168.5 | 0 | 0 | 0 | 0 | 111.7 | L629 I646 G648 D650 V652 T672 S711 T791 A793 | L629-V670 HydrophobicContact CD1-CG2 3.69Å; I646-V670 HydrophobicContact CG2-CB 4.43Å; I646-V670 HydrophobicContact CG2-CG1 4.05Å; I646-V670 HydrophobicContact CG2-CG2 3.97Å; G648-V670 PolarHBondContact O-N 3.3Å; G648-V670 VanDerWaalsContact O-N 3.13Å; D650-V670 HydrophobicContact CB-CG2 4.16Å; D650-V670 WeakPolarHBondContact O-CG2 3.02Å; D650-V670 PolarHBondContact O-N 3.28Å; V652-V670 HydrophobicContact CB-CG2 4.43Å; V670-T672 VanDerWaalsContact C-N 3.27Å; V670-T672 PolarHBondContact O-N 2.8Å; V670-S711 WeakPolarHBondContact O-CA 3.46Å; V670-S711 WeakPolarHBondContact O-CB 3.36Å; V670-S711 PolarHBondContact O-OG 2.9Å; V670-T791 HydrophobicContact CG1-CG2 4.5Å; V670-A793 HydrophobicContact CG1-CB 4.02Å |
| 671 | A | 92.9 | Very high | 94.3 | Very high | 25 Ų | 25 | 45.6 Ų | 45.6 | 21% | 0.207 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 0.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | G648 P669 | G648-A671 PolarHBondContact O-N 2.63Å; P669-A671 VanDerWaalsContact C-N 3.3Å; P669-A671 PolarHBondContact O-N 3.39Å |
| 672 | T | 93.9 | Very high | 94.2 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.018 | 23% | 0.231 | C | C | . | . | trans | -50.9 | 141.1 | -177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | V668 P669 V670 E676 V677 S711 | V668-T672 HydrophobicContact CB-CG2 4Å; V668-T672 HydrophobicContact CG1-CG2 4.38Å; V668-T672 HydrophobicContact CG2-CG2 4.19Å; P669-T672 VanDerWaalsContact C-OG1 3.32Å; P669-T672 WeakPolarHBondContact CA-OG1 3.45Å; P669-T672 VanDerWaalsContact CD-OG1 3.22Å; P669-T672 WeakPolarHBondContact CD-OG1 3.19Å; P669-T672 WeakPolarHBondContact O-CB 3.41Å; P669-T672 PolarHBondContact O-N 3.14Å; P669-T672 PolarHBondContact O-OG1 2.93Å; V670-T672 VanDerWaalsContact C-N 3.27Å; V670-T672 PolarHBondContact O-N 2.8Å; T672-E676 WeakPolarHBondContact CA-OE2 3.32Å; T672-E676 HydrophobicContact CG2-CB 3.35Å; T672-E676 HydrophobicContact CG2-CG 4.37Å; T672-E676 VanDerWaalsContact CG2-OE2 3.29Å; T672-E676 WeakPolarHBondContact CG2-OE2 3Å; T672-V677 HydrophobicContact CG2-CG2 3.87Å; T672-S711 PolarHBondContact O-N 2.79Å; T672-S711 VanDerWaalsContact O-N 3.12Å | ||
| 673 | S | 96.1 | Very high | 94.1 | Very high | 16 Ų | 16 | 46.4 Ų | 46.4 | 11% | 0.112 | 24% | 0.243 | C | C | . | . | B | Isolated β-bridge | trans | -79.1 | 156.4 | 175.1 | 70.2 | 0 | 0 | 0 | 0 | 112.5 | K675 E676 V677 D709 | S673-K675 PolarHBondContact O-N 3.38Å; S673-E676 PolarHBondContact N-OE2 2.89Å; S673-E676 WeakPolarHBondContact O-CB 3.49Å; S673-E676 PolarHBondContact O-N 3.27Å; S673-E676 WeakPolarHBondContact OG-CG 3.27Å; S673-E676 PolarHBondContact OG-N 2.67Å; S673-E676 PolarHBondContact OG-OE1 2.98Å; S673-V677 WeakPolarHBondContact O-CG2 3.42Å; S673-V677 PolarHBondContact O-N 2.98Å; S673-D709 CarbonylContact C-O 3.6Å; S673-D709 VanDerWaalsContact CA-O 3.32Å; S673-D709 WeakPolarHBondContact CA-O 3.49Å |
| 674 | V | 96.3 | Very high | 94 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -35.7 | 174.5 | 169.3 | 0 | 0 | 0 | 0 | 111.6 | E676 V677 I678 I693 L705 K706 D709 V712 | V674-E676 VanDerWaalsContact C-N 3.34Å; V674-E676 PolarHBondContact O-N 3.09Å; V674-V677 WeakPolarHBondContact O-CB 3.35Å; V674-V677 PolarHBondContact O-N 3.39Å; V674-I678 HydrophobicContact CG1-CD1 3.99Å; V674-I678 HydrophobicContact CG1-CG1 4.4Å; V674-I678 VanDerWaalsContact O-CG1 3.32Å; V674-I678 WeakPolarHBondContact O-CG1 3.41Å; V674-I678 PolarHBondContact O-N 3.02Å; V674-I693 HydrophobicContact CG1-CB 3.93Å; V674-I693 HydrophobicContact CG1-CG1 3.93Å; V674-L705 HydrophobicContact CG1-CB 4.31Å; V674-L705 HydrophobicContact CG2-CB 3.82Å; V674-L705 HydrophobicContact CG2-CD1 4.22Å; V674-K706 VanDerWaalsContact CB-O 3.25Å; V674-K706 WeakPolarHBondContact CB-O 3.48Å; V674-K706 WeakPolarHBondContact CG2-O 3.32Å; V674-D709 HydrophobicContact CG2-CB 3.86Å; V674-D709 PolarHBondContact N-O 3.04Å; V674-V712 HydrophobicContact CG2-CG1 3.67Å; V674-V712 HydrophobicContact CG2-CG2 4.31Å |
| 675 | K | 95.3 | Very high | 93.8 | Very high | 147 Ų | 147 | 49.8 Ų | 49.8 | 64% | 0.639 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -58.5 | -44.6 | 174.3 | -174.6 | -177.1 | 177.6 | -175.4 | 0 | 112.3 | S673 I678 S679 P707 | S673-K675 PolarHBondContact O-N 3.38Å; K675-I678 PolarHBondContact O-N 3.37Å; K675-S679 PolarHBondContact O-N 3.36Å; K675-P707 HydrophobicContact CB-CB 4.32Å; K675-P707 PolarHBondContact N-O 3.47Å; K675-P707 VanDerWaalsContact N-O 3.11Å |
| 676 | E | 95.3 | Very high | 93.4 | Very high | 103 Ų | 103 | 50.8 Ų | 50.8 | 48% | 0.481 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -68.8 | -36.7 | 176.7 | -72.8 | 147.4 | -137.5 | 0 | 0 | 111.8 | T672 S673 V674 S679 A680 | T672-E676 WeakPolarHBondContact CA-OE2 3.32Å; T672-E676 HydrophobicContact CG2-CB 3.35Å; T672-E676 HydrophobicContact CG2-CG 4.37Å; T672-E676 VanDerWaalsContact CG2-OE2 3.29Å; T672-E676 WeakPolarHBondContact CG2-OE2 3Å; S673-E676 PolarHBondContact N-OE2 2.89Å; S673-E676 WeakPolarHBondContact O-CB 3.49Å; S673-E676 PolarHBondContact O-N 3.27Å; S673-E676 WeakPolarHBondContact OG-CG 3.27Å; S673-E676 PolarHBondContact OG-N 2.67Å; S673-E676 PolarHBondContact OG-OE1 2.98Å; V674-E676 VanDerWaalsContact C-N 3.34Å; V674-E676 PolarHBondContact O-N 3.09Å; E676-S679 WeakPolarHBondContact O-CB 3.33Å; E676-S679 PolarHBondContact O-N 3.48Å; E676-A680 WeakPolarHBondContact O-CB 3.29Å; E676-A680 PolarHBondContact O-N 3.29Å |
| 677 | V | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 172.2 | 172.5 | 0 | 0 | 0 | 0 | 110.9 | I666 T672 S673 V674 S679 A680 V681 I693 F713 L722 | I666-V677 HydrophobicContact CD1-CB 4.46Å; I666-V677 HydrophobicContact CD1-CG1 3.83Å; I666-V677 HydrophobicContact CD1-CG2 4.34Å; T672-V677 HydrophobicContact CG2-CG2 3.87Å; S673-V677 WeakPolarHBondContact O-CG2 3.42Å; S673-V677 PolarHBondContact O-N 2.98Å; V674-V677 WeakPolarHBondContact O-CB 3.35Å; V674-V677 PolarHBondContact O-N 3.39Å; V677-S679 VanDerWaalsContact C-N 3.31Å; V677-S679 PolarHBondContact O-N 3.31Å; V677-A680 PolarHBondContact O-N 3.35Å; V677-V681 HydrophobicContact CG1-CG2 4.48Å; V677-V681 WeakPolarHBondContact O-CG2 3.48Å; V677-V681 PolarHBondContact O-N 2.99Å; V677-I693 HydrophobicContact CG1-CD1 3.95Å; V677-I693 HydrophobicContact CG1-CG1 4.17Å; V677-F713 HydrophobicContact CG2-CE1 4.12Å; V677-F713 HydrophobicContact CG2-CZ 3.77Å; V677-L722 HydrophobicContact CG1-CD2 4.46Å |
| 678 | I | 95.6 | Very high | 91.2 | Very high | 38 Ų | 38 | 50 Ų | 50 | 20% | 0.195 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.2 | -47.3 | 175.5 | -69.6 | 165.7 | 0 | 0 | 0 | 110 | V674 K675 A680 V681 A682 L691 I693 | V674-I678 HydrophobicContact CG1-CD1 3.99Å; V674-I678 HydrophobicContact CG1-CG1 4.4Å; V674-I678 VanDerWaalsContact O-CG1 3.32Å; V674-I678 WeakPolarHBondContact O-CG1 3.41Å; V674-I678 PolarHBondContact O-N 3.02Å; K675-I678 PolarHBondContact O-N 3.37Å; I678-A680 PolarHBondContact O-N 3.31Å; I678-V681 PolarHBondContact O-N 3.31Å; I678-A682 VanDerWaalsContact O-CB 3.28Å; I678-A682 WeakPolarHBondContact O-CB 3.36Å; I678-A682 PolarHBondContact O-N 2.86Å; I678-L691 HydrophobicContact CG2-CB 4.14Å; I678-I693 HydrophobicContact CD1-CG1 4.2Å; I678-I693 HydrophobicContact CG1-CD1 4.04Å; I678-I693 HydrophobicContact CG1-CG1 3.49Å; I678-I693 VanDerWaalsContact CG1-CG1 3.49Å |
| 679 | S | 95.1 | Very high | 89.9 | Confident | 76 Ų | 76 | 55.4 Ų | 55.4 | 53% | 0.531 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 178.6 | -167.2 | 0 | 0 | 0 | 0 | 112.2 | K675 E676 V677 V681 A682 D683 | K675-S679 PolarHBondContact O-N 3.36Å; E676-S679 WeakPolarHBondContact O-CB 3.33Å; E676-S679 PolarHBondContact O-N 3.48Å; V677-S679 VanDerWaalsContact C-N 3.31Å; V677-S679 PolarHBondContact O-N 3.31Å; S679-V681 VanDerWaalsContact C-N 3.33Å; S679-V681 PolarHBondContact O-N 3.25Å; S679-A682 PolarHBondContact O-N 3.48Å; S679-D683 WeakPolarHBondContact O-CB 3.44Å; S679-D683 PolarHBondContact O-N 3.08Å |
| 680 | A | 94.9 | Very high | 89.5 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 20% | 0.198 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.9 | -32.2 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | I666 V668 E676 V677 I678 | I666-A680 HydrophobicContact CB-CB 4.29Å; I666-A680 HydrophobicContact CG2-CB 4.05Å; V668-A680 HydrophobicContact CG1-CB 3.88Å; E676-A680 WeakPolarHBondContact O-CB 3.29Å; E676-A680 PolarHBondContact O-N 3.29Å; V677-A680 PolarHBondContact O-N 3.35Å; I678-A680 PolarHBondContact O-N 3.31Å |
| 681 | V | 94.9 | Very high | 89.6 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -74.7 | -46.6 | 174.4 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | V656 I666 V677 I678 S679 D683 K684 L685 L691 A724 | V656-V681 HydrophobicContact CB-CG2 3.98Å; V656-V681 HydrophobicContact CG1-CG2 4.05Å; V656-V681 HydrophobicContact CG2-CG2 4Å; I666-V681 HydrophobicContact CG2-CG2 3.79Å; V677-V681 HydrophobicContact CG1-CG2 4.48Å; V677-V681 WeakPolarHBondContact O-CG2 3.48Å; V677-V681 PolarHBondContact O-N 2.99Å; I678-V681 PolarHBondContact O-N 3.31Å; S679-V681 VanDerWaalsContact C-N 3.33Å; S679-V681 PolarHBondContact O-N 3.25Å; V681-D683 VanDerWaalsContact C-N 3.32Å; V681-D683 PolarHBondContact O-N 3.12Å; V681-K684 PolarHBondContact O-N 3.22Å; V681-L685 HydrophobicContact CG1-CD1 3.6Å; V681-L685 HydrophobicContact CG1-CG 4.24Å; V681-L685 WeakPolarHBondContact O-CB 3.29Å; V681-L685 WeakPolarHBondContact O-CG 3.38Å; V681-L685 PolarHBondContact O-N 2.9Å; V681-L691 HydrophobicContact CG1-CD1 4.21Å; V681-A724 HydrophobicContact CG1-CB 3.84Å |
| 682 | A | 93.9 | Very high | 89.7 | Confident | 23 Ų | 23 | 56.8 Ų | 56.8 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.5 | -41.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112 | I678 S679 K684 L685 G686 S687 L691 | I678-A682 VanDerWaalsContact O-CB 3.28Å; I678-A682 WeakPolarHBondContact O-CB 3.36Å; I678-A682 PolarHBondContact O-N 2.86Å; S679-A682 PolarHBondContact O-N 3.48Å; A682-K684 PolarHBondContact O-N 2.62Å; A682-L685 PolarHBondContact O-N 3.34Å; A682-G686 WeakPolarHBondContact O-CA 3.33Å; A682-G686 PolarHBondContact O-N 2.72Å; A682-S687 PolarHBondContact O-N 3.47Å; A682-S687 VanDerWaalsContact O-N 3.1Å; A682-L691 HydrophobicContact CB-CD1 4.22Å |
| 683 | D | 92.9 | Very high | 89.9 | Confident | 134 Ų | 134 | 56.7 Ų | 56.7 | 72% | 0.717 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58.1 | -45.7 | 176.6 | -177.4 | 56.3 | 0 | 0 | 0 | 112.1 | S679 V681 G686 | S679-D683 WeakPolarHBondContact O-CB 3.44Å; S679-D683 PolarHBondContact O-N 3.08Å; V681-D683 VanDerWaalsContact C-N 3.32Å; V681-D683 PolarHBondContact O-N 3.12Å; D683-G686 PolarHBondContact O-N 3.02Å |
| 684 | K | 92.5 | Very high | 90 | Very high | 120 Ų | 120 | 55.9 Ų | 55.9 | 52% | 0.522 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -74.8 | -31.7 | -179.8 | -72.6 | -168 | 176.4 | -159.9 | 0 | 114.2 | T664 T665 V681 A682 | T664-K684 HydrophobicContact CG2-CB 3.57Å; T664-K684 HydrophobicContact CG2-CD 3.43Å; T664-K684 VanDerWaalsContact CG2-CD 3.43Å; T664-K684 HydrophobicContact CG2-CG 4.11Å; T665-K684 PolarHBondContact O-NZ 3.43Å; V681-K684 PolarHBondContact O-N 3.22Å; A682-K684 PolarHBondContact O-N 2.62Å |
| 685 | L | 89.9 | Confident | 89.9 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 41% | 0.414 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -85.2 | -10.9 | 177.7 | -67.8 | 179.7 | 0 | 0 | 0 | 112.8 | T664 V681 A682 S687 | T664-L685 WeakPolarHBondContact OG1-CD2 3.17Å; V681-L685 HydrophobicContact CG1-CD1 3.6Å; V681-L685 HydrophobicContact CG1-CG 4.24Å; V681-L685 WeakPolarHBondContact O-CB 3.29Å; V681-L685 WeakPolarHBondContact O-CG 3.38Å; V681-L685 PolarHBondContact O-N 2.9Å; A682-L685 PolarHBondContact O-N 3.34Å; L685-S687 PolarHBondContact O-N 2.95Å |
| 686 | G | 85.1 | Confident | 89.9 | Confident | 70 Ų | 70 | 52 Ų | 52 | 72% | 0.722 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 26.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | A682 D683 | A682-G686 WeakPolarHBondContact O-CA 3.33Å; A682-G686 PolarHBondContact O-N 2.72Å; D683-G686 PolarHBondContact O-N 3.02Å |
| 687 | S | 75.1 | Confident | 89.9 | Confident | 31 Ų | 31 | 47.7 Ų | 47.7 | 22% | 0.217 | 31% | 0.31 | C | S | . | . | trans | -89.9 | 125.4 | -172.7 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | A682 L685 E689 | A682-S687 PolarHBondContact O-N 3.47Å; A682-S687 VanDerWaalsContact O-N 3.1Å; L685-S687 PolarHBondContact O-N 2.95Å; S687-E689 VanDerWaalsContact C-N 3.34Å; S687-E689 PolarHBondContact OG-N 2.85Å | ||
| 688 | G | 63.6 | Low | 89.7 | Confident | 86 Ų | 86 | 47.9 Ų | 47.9 | 89% | 0.887 | 31% | 0.311 | S | S | * | . | trans | -92.2 | 8.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 689 | E | 64.7 | Low | 89.4 | Confident | 127 Ų | 127 | 47.6 Ų | 47.6 | 59% | 0.593 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -88.5 | 152 | -172.1 | -60.6 | -179.3 | 176 | 0 | 0 | 111.6 | S687 L691 P726 | S687-E689 VanDerWaalsContact C-N 3.34Å; S687-E689 PolarHBondContact OG-N 2.85Å; E689-L691 PolarHBondContact O-N 2.69Å; E689-P726 WeakPolarHBondContact OE2-CG 3.18Å |
| 690 | G | 84.9 | Confident | 89.2 | Confident | 69 Ų | 69 | 45.2 Ų | 45.2 | 71% | 0.711 | 31% | 0.305 | S | S | * | . | trans | -68.8 | 70.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 691 | L | 93.4 | Very high | 89 | Confident | 18 Ų | 18 | 48.3 Ų | 48.3 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 139 | -179.5 | -67.4 | 177.7 | 0 | 0 | 0 | 111.4 | I678 V681 A682 E689 | I678-L691 HydrophobicContact CG2-CB 4.14Å; V681-L691 HydrophobicContact CG1-CD1 4.21Å; A682-L691 HydrophobicContact CB-CD1 4.22Å; E689-L691 PolarHBondContact O-N 2.69Å |
| 692 | I | 95.7 | Very high | 88.9 | Confident | 27 Ų | 27 | 50.8 Ų | 50.8 | 14% | 0.138 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 149.3 | 168.4 | 58.4 | 164.1 | 0 | 0 | 0 | 109.9 | V694 V704 A724 C725 R727 F730 | I692-V694 HydrophobicContact CD1-CG2 3.87Å; I692-V694 HydrophobicContact CG1-CG2 4.15Å; I692-V704 HydrophobicContact CB-CG1 4.31Å; I692-V704 HydrophobicContact CD1-CG1 4.3Å; I692-V704 HydrophobicContact CD1-CG2 4.1Å; I692-A724 WeakPolarHBondContact O-CA 3.44Å; I692-C725 WeakPolarHBondContact CG1-O 3.19Å; I692-C725 PolarHBondContact N-O 3.36Å; I692-C725 PolarHBondContact O-N 3.17Å; I692-R727 HydrophobicContact CD1-CB 4.4Å; I692-R727 HydrophobicContact CD1-CG 4.39Å; I692-F730 HydrophobicContact CD1-CB 4.5Å; I692-F730 HydrophobicContact CD1-CD2 4.13Å |
| 693 | I | 97.4 | Very high | 89 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 129.9 | 172.3 | -60 | -60.6 | 0 | 0 | 0 | 109.3 | V656 V674 V677 I678 L705 L722 F723 A724 | V656-I693 HydrophobicContact CG1-CD1 4.35Å; V674-I693 HydrophobicContact CG1-CB 3.93Å; V674-I693 HydrophobicContact CG1-CG1 3.93Å; V677-I693 HydrophobicContact CG1-CD1 3.95Å; V677-I693 HydrophobicContact CG1-CG1 4.17Å; I678-I693 HydrophobicContact CD1-CG1 4.2Å; I678-I693 HydrophobicContact CG1-CD1 4.04Å; I678-I693 HydrophobicContact CG1-CG1 3.49Å; I678-I693 VanDerWaalsContact CG1-CG1 3.49Å; I693-L705 HydrophobicContact CG2-CD1 3.87Å; I693-L705 HydrophobicContact CG2-CG 4.43Å; I693-L705 PolarHBondContact O-N 3.3Å; I693-L722 HydrophobicContact CG2-CD1 3.54Å; I693-L722 HydrophobicContact CG2-CD2 3.75Å; I693-L722 HydrophobicContact CG2-CG 3.55Å; I693-F723 CarbonylContact C-O 3.51Å; I693-F723 WeakPolarHBondContact CA-O 3.34Å; I693-A724 HydrophobicContact CD1-CB 3.87Å |
| 694 | V | 97.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 126.8 | -176.7 | -175.8 | 0 | 0 | 0 | 0 | 109 | I692 K702 V703 V704 F723 F730 L733 | I692-V694 HydrophobicContact CD1-CG2 3.87Å; I692-V694 HydrophobicContact CG1-CG2 4.15Å; V694-K702 HydrophobicContact CG1-CB 3.94Å; V694-V703 WeakPolarHBondContact CA-O 3.11Å; V694-V704 HydrophobicContact CG2-CG2 4.42Å; V694-F723 HydrophobicContact CB-CB 4.41Å; V694-F723 PolarHBondContact N-O 3.43Å; V694-F723 PolarHBondContact O-N 3.46Å; V694-F730 HydrophobicContact CG1-CD2 4.34Å; V694-F730 HydrophobicContact CG1-CE2 3.84Å; V694-F730 HydrophobicContact CG2-CD2 3.88Å; V694-F730 HydrophobicContact CG2-CE2 4.06Å; V694-L733 HydrophobicContact CB-CD1 4.09Å; V694-L733 HydrophobicContact CG1-CD1 4.1Å; V694-L733 HydrophobicContact CG2-CD1 4.1Å |
| 695 | K | 95.7 | Very high | 89.2 | Confident | 63 Ų | 63 | 45 Ų | 45 | 27% | 0.274 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134 | 163.2 | 62.9 | 173.3 | -179.7 | 178.7 | 0 | 108.8 | K702 V703 L705 L716 L722 | K695-K702 WeakPolarHBondContact O-CA 3.46Å; K695-V703 HydrophobicContact CD-CB 4.13Å; K695-V703 VanDerWaalsContact CE-CG1 3.49Å; K695-V703 HydrophobicContact CG-CB 3.67Å; K695-V703 HydrophobicContact CG-CG1 4.44Å; K695-V703 HydrophobicContact CG-CG2 4.43Å; K695-V703 WeakPolarHBondContact CG-O 3.26Å; K695-V703 PolarHBondContact N-O 3.14Å; K695-V703 PolarHBondContact O-N 3.2Å; K695-L705 HydrophobicContact CB-CD2 4.48Å; K695-L705 HydrophobicContact CD-CD2 3.99Å; K695-L705 HydrophobicContact CG-CD2 3.99Å; K695-L716 HydrophobicContact CB-CD2 3.73Å; K695-L722 HydrophobicContact CB-CD1 4.43Å |
| 696 | M | 95.2 | Very high | 89.4 | Confident | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.015 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.9 | 176.5 | -174.8 | 159.4 | 49.9 | 0 | 0 | 111 | E701 K702 G720 R721 F723 L733 T734 P735 Q739 | M696-E701 WeakPolarHBondContact CA-O 2.81Å; M696-K702 HydrophobicContact CG-CG 4.36Å; M696-K702 HydrophobicContact SD-CG 4.08Å; M696-G720 WeakPolarHBondContact O-CA 3.4Å; M696-R721 PolarHBondContact N-O 3.22Å; M696-R721 PolarHBondContact O-N 3.32Å; M696-F723 HydrophobicContact CB-CD2 4.1Å; M696-F723 HydrophobicContact CB-CE2 4.13Å; M696-F723 HydrophobicContact CE-CD1 4.33Å; M696-F723 HydrophobicContact CE-CD2 3.63Å; M696-F723 HydrophobicContact CE-CE1 3.88Å; M696-F723 HydrophobicContact CE-CE2 3.11Å; M696-F723 HydrophobicContact CE-CG 4.22Å; M696-F723 HydrophobicContact CE-CZ 3.24Å; M696-L733 HydrophobicContact CE-CB 4.37Å; M696-L733 HydrophobicContact SD-CB 4.39Å; M696-T734 WeakPolarHBondContact CE-O 3.31Å; M696-P735 HydrophobicContact CG-CG 4.49Å; M696-P735 HydrophobicContact SD-CG 4.15Å; M696-Q739 PolarHBondContact O-NE2 3.11Å; M696-Q739 VanDerWaalsContact O-NE2 3.09Å |
| 697 | S | 93.7 | Very high | 89.8 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 8% | 0.077 | 30% | 0.302 | C | S | . | . | trans | -80.7 | 169.4 | 175 | 75.1 | 0 | 0 | 0 | 0 | 111.6 | G699 G700 E701 | S697-G699 PolarHBondContact O-N 3.4Å; S697-G699 PolarHBondContact OG-N 3.13Å; S697-G700 PolarHBondContact O-N 3.32Å; S697-G700 VanDerWaalsContact O-N 3.11Å; S697-E701 PolarHBondContact N-O 2.93Å; S697-E701 WeakPolarHBondContact OG-CB 3.39Å; S697-E701 PolarHBondContact OG-N 3.44Å | ||
| 698 | S | 91.9 | Very high | 90.7 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 4% | 0.035 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.2 | 172 | 54 | 0 | 0 | 0 | 0 | 113.3 | G700 Q739 D976 N977 | S698-G700 VanDerWaalsContact C-N 3.26Å; S698-G700 PolarHBondContact O-N 2.7Å; S698-Q739 WeakPolarHBondContact CB-O 3.46Å; S698-D976 VanDerWaalsContact CB-OD1 3.25Å; S698-D976 WeakPolarHBondContact CB-OD1 3.36Å; S698-D976 PolarHBondContact OG-OD1 3.06Å; S698-N977 PolarHBondContact O-ND2 2.85Å; S698-N977 PolarHBondContact OG-N 2.9Å |
| 699 | G | 89.9 | Confident | 92.1 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 33% | 0.33 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -3.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | S697 E701 | S697-G699 PolarHBondContact O-N 3.4Å; S697-G699 PolarHBondContact OG-N 3.13Å; G699-E701 VanDerWaalsContact C-N 3.31Å |
| 700 | G | 89.9 | Confident | 93.5 | Very high | 25 Ų | 25 | 46 Ų | 46 | 26% | 0.258 | 27% | 0.27 | S | S | . | . | trans | 79.1 | 9.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S697 S698 | S697-G700 PolarHBondContact O-N 3.32Å; S697-G700 VanDerWaalsContact O-N 3.11Å; S698-G700 VanDerWaalsContact C-N 3.26Å; S698-G700 PolarHBondContact O-N 2.7Å | ||
| 701 | E | 91.4 | Very high | 94 | Very high | 89 Ų | 89 | 42.7 Ų | 42.7 | 42% | 0.416 | 24% | 0.236 | S | C | . | . | trans | -70.9 | 129.7 | 172.6 | -59.5 | 174.9 | 165.4 | 0 | 0 | 109.4 | H8 M696 S697 G699 | H8-E701 IonicContact CE1-OE2 3.26Å; H8-E701 IonicContact ND1-OE2 2.73Å; M696-E701 WeakPolarHBondContact CA-O 2.81Å; S697-E701 PolarHBondContact N-O 2.93Å; S697-E701 WeakPolarHBondContact OG-CB 3.39Å; S697-E701 PolarHBondContact OG-N 3.44Å; G699-E701 VanDerWaalsContact C-N 3.31Å | ||
| 702 | K | 93.5 | Very high | 94 | Very high | 54 Ų | 54 | 42.1 Ų | 42.1 | 24% | 0.235 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 134 | -173.7 | -56.9 | 168.4 | -165.3 | -177.5 | 0 | 109.7 | V694 K695 M696 F730 D731 L733 | V694-K702 HydrophobicContact CG1-CB 3.94Å; K695-K702 WeakPolarHBondContact O-CA 3.46Å; M696-K702 HydrophobicContact CG-CG 4.36Å; M696-K702 HydrophobicContact SD-CG 4.08Å; K702-F730 HydrophobicContact CB-CE1 4.45Å; K702-F730 HydrophobicContact CB-CE2 3.73Å; K702-F730 HydrophobicContact CB-CZ 3.53Å; K702-F730 HydrophobicContact CD-CE1 4.35Å; K702-F730 HydrophobicContact CD-CE2 4.32Å; K702-F730 HydrophobicContact CD-CZ 4.12Å; K702-F730 HydrophobicContact CG-CZ 4.48Å; K702-F730 PolarHBondContact NZ-O 3.16Å; K702-D731 VanDerWaalsContact NZ-C 3.3Å; K702-D731 PolarHBondContact NZ-O 2.74Å; K702-L733 HydrophobicContact CD-CB 4.26Å; K702-L733 WeakPolarHBondContact CE-O 3.39Å; K702-L733 PolarHBondContact NZ-O 3.39Å |
| 703 | V | 94.4 | Very high | 93.8 | Very high | 70 Ų | 70 | 41 Ų | 41 | 42% | 0.424 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 124 | 173.6 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | V694 K695 | V694-V703 WeakPolarHBondContact CA-O 3.11Å; K695-V703 HydrophobicContact CD-CB 4.13Å; K695-V703 VanDerWaalsContact CE-CG1 3.49Å; K695-V703 HydrophobicContact CG-CB 3.67Å; K695-V703 HydrophobicContact CG-CG1 4.44Å; K695-V703 HydrophobicContact CG-CG2 4.43Å; K695-V703 WeakPolarHBondContact CG-O 3.26Å; K695-V703 PolarHBondContact N-O 3.14Å; K695-V703 PolarHBondContact O-N 3.2Å |
| 704 | V | 96.2 | Very high | 93.5 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 42% | 0.418 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 127.5 | 173.8 | -174.9 | 0 | 0 | 0 | 0 | 109 | I692 V694 F730 | I692-V704 HydrophobicContact CB-CG1 4.31Å; I692-V704 HydrophobicContact CD1-CG1 4.3Å; I692-V704 HydrophobicContact CD1-CG2 4.1Å; V694-V704 HydrophobicContact CG2-CG2 4.42Å; V704-F730 HydrophobicContact CG2-CD2 3.93Å; V704-F730 HydrophobicContact CG2-CE2 3.51Å; V704-F730 HydrophobicContact CG2-CZ 4.18Å |
| 705 | L | 94.5 | Very high | 93.3 | Very high | 17 Ų | 17 | 43.3 Ų | 43.3 | 9% | 0.089 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -85.5 | 143.6 | 177.5 | -57.6 | -176.8 | 0 | 0 | 0 | 110.8 | V674 I693 K695 V712 L722 | V674-L705 HydrophobicContact CG1-CB 4.31Å; V674-L705 HydrophobicContact CG2-CB 3.82Å; V674-L705 HydrophobicContact CG2-CD1 4.22Å; I693-L705 HydrophobicContact CG2-CD1 3.87Å; I693-L705 HydrophobicContact CG2-CG 4.43Å; I693-L705 PolarHBondContact O-N 3.3Å; K695-L705 HydrophobicContact CB-CD2 4.48Å; K695-L705 HydrophobicContact CD-CD2 3.99Å; K695-L705 HydrophobicContact CG-CD2 3.99Å; L705-V712 HydrophobicContact CD1-CB 3.84Å; L705-V712 HydrophobicContact CD1-CG1 3.91Å; L705-V712 HydrophobicContact CD1-CG2 4.09Å; L705-L722 HydrophobicContact CD1-CD1 3.77Å |
| 706 | K | 94.3 | Very high | 93.2 | Very high | 150 Ų | 150 | 40.9 Ų | 40.9 | 65% | 0.652 | 23% | 0.232 | S | C | * | . | P | Polyproline II helix | trans | -78.3 | 146.6 | 179.7 | -62.2 | 178.6 | -179 | 176.8 | 0 | 109.7 | V674 N708 D709 | V674-K706 VanDerWaalsContact CB-O 3.25Å; V674-K706 WeakPolarHBondContact CB-O 3.48Å; V674-K706 WeakPolarHBondContact CG2-O 3.32Å; K706-N708 PolarHBondContact O-N 3.48Å; K706-N708 VanDerWaalsContact O-N 3.08Å; K706-D709 PolarHBondContact N-OD2 3.42Å; K706-D709 WeakPolarHBondContact O-CB 3.38Å; K706-D709 PolarHBondContact O-N 3.28Å |
| 707 | P | 93.4 | Very high | 93 | Very high | 72 Ų | 72 | 42.4 Ų | 42.4 | 47% | 0.468 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -29.6 | 179.2 | -28 | 35.5 | 0 | 0 | 0 | 115 | K675 | K675-P707 HydrophobicContact CB-CB 4.32Å; K675-P707 PolarHBondContact N-O 3.47Å; K675-P707 VanDerWaalsContact N-O 3.11Å |
| 708 | N | 93.6 | Very high | 92.9 | Very high | 129 Ų | 129 | 42.7 Ų | 42.7 | 69% | 0.69 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -5 | -180 | -67.5 | -8.2 | 0 | 0 | 0 | 113.7 | K706 | K706-N708 PolarHBondContact O-N 3.48Å; K706-N708 VanDerWaalsContact O-N 3.08Å |
| 709 | D | 93.3 | Very high | 93 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 24% | 0.241 | 25% | 0.245 | C | C | . | . | trans | -66.5 | 138.4 | 175.1 | -65.3 | -23.2 | 0 | 0 | 0 | 109 | S673 V674 K706 V712 | S673-D709 CarbonylContact C-O 3.6Å; S673-D709 VanDerWaalsContact CA-O 3.32Å; S673-D709 WeakPolarHBondContact CA-O 3.49Å; V674-D709 HydrophobicContact CG2-CB 3.86Å; V674-D709 PolarHBondContact N-O 3.04Å; K706-D709 PolarHBondContact N-OD2 3.42Å; K706-D709 WeakPolarHBondContact O-CB 3.38Å; K706-D709 PolarHBondContact O-N 3.28Å; D709-V712 HydrophobicContact CB-CG1 3.91Å | ||
| 710 | V | 94.1 | Very high | 93.2 | Very high | 17 Ų | 17 | 42 Ų | 42 | 10% | 0.103 | 23% | 0.231 | C | C | . | . | B | Isolated β-bridge | trans | -120.6 | 150.5 | -176.8 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | V712 R785 | V710-V712 PolarHBondContact O-N 3.29Å; V710-R785 HydrophobicContact CG2-CB 4.06Å |
| 711 | S | 94.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | trans | 56.1 | 44.9 | 174.7 | -148.1 | 0 | 0 | 0 | 0 | 114.8 | V670 T672 F713 T791 | V670-S711 WeakPolarHBondContact O-CA 3.46Å; V670-S711 WeakPolarHBondContact O-CB 3.36Å; V670-S711 PolarHBondContact O-OG 2.9Å; T672-S711 PolarHBondContact O-N 2.79Å; T672-S711 VanDerWaalsContact O-N 3.12Å; S711-F713 VanDerWaalsContact C-N 3.29Å; S711-F713 PolarHBondContact O-N 3.46Å; S711-T791 WeakPolarHBondContact OG-CB 3.24Å; S711-T791 PolarHBondContact OG-OG1 3.31Å | ||
| 712 | V | 93.6 | Very high | 93.7 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -72.9 | -18.1 | -171 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | V674 L705 D709 V710 T714 T715 L722 | V674-V712 HydrophobicContact CG2-CG1 3.67Å; V674-V712 HydrophobicContact CG2-CG2 4.31Å; L705-V712 HydrophobicContact CD1-CB 3.84Å; L705-V712 HydrophobicContact CD1-CG1 3.91Å; L705-V712 HydrophobicContact CD1-CG2 4.09Å; D709-V712 HydrophobicContact CB-CG1 3.91Å; V710-V712 PolarHBondContact O-N 3.29Å; V712-T714 PolarHBondContact O-N 3.14Å; V712-T715 PolarHBondContact O-N 3.3Å; V712-T715 PolarHBondContact O-OG1 3.11Å; V712-L722 HydrophobicContact CG2-CD2 4.5Å |
| 713 | F | 91.7 | Very high | 93.9 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -61.7 | -40.1 | -173.1 | -47.5 | -63.4 | 0 | 0 | 0 | 113.8 | F633 V652 F654 V668 V677 S711 | F633-F713 HydrophobicContact CE2-CB 4.4Å; F633-F713 HydrophobicContact CZ-CB 3.95Å; V652-F713 HydrophobicContact CG1-CD2 3.95Å; V652-F713 HydrophobicContact CG1-CE2 3.84Å; V652-F713 HydrophobicContact CG1-CG 4.42Å; V652-F713 HydrophobicContact CG1-CZ 4.24Å; F654-F713 HydrophobicContact CB-CD1 4.18Å; F654-F713 HydrophobicContact CB-CE1 4.19Å; F654-F713 AromaticContact CD1-CD1 3.81Å; F654-F713 HydrophobicContact CD1-CD1 3.81Å; F654-F713 HydrophobicContact CD1-CE1 4.13Å; F654-F713 HydrophobicContact CD2-CB 3.97Å; F654-F713 AromaticContact CD2-CD1 3.6Å; F654-F713 HydrophobicContact CD2-CD1 3.6Å; F654-F713 HydrophobicContact CD2-CE1 4.42Å; F654-F713 HydrophobicContact CD2-CG 4Å; F654-F713 HydrophobicContact CE1-CD1 4.09Å; F654-F713 HydrophobicContact CE2-CB 3.78Å; F654-F713 AromaticContact CE2-CD1 3.87Å; F654-F713 HydrophobicContact CE2-CD1 3.87Å; F654-F713 HydrophobicContact CE2-CG 4.22Å; F654-F713 AromaticContact CG-CD1 3.56Å; F654-F713 HydrophobicContact CG-CD1 3.56Å; F654-F713 AromaticContact CG-CE1 3.98Å; F654-F713 HydrophobicContact CG-CE1 3.98Å; F654-F713 HydrophobicContact CG-CG 4.37Å; F654-F713 HydrophobicContact CZ-CB 4.45Å; F654-F713 HydrophobicContact CZ-CD1 4.12Å; V668-F713 HydrophobicContact CG2-CE2 4.11Å; V668-F713 HydrophobicContact CG2-CZ 3.6Å; V677-F713 HydrophobicContact CG2-CE1 4.12Å; V677-F713 HydrophobicContact CG2-CZ 3.77Å; S711-F713 VanDerWaalsContact C-N 3.29Å; S711-F713 PolarHBondContact O-N 3.46Å |
| 714 | T | 92 | Very high | 94 | Very high | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.037 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -84.6 | -13.7 | -177.9 | 47.4 | 0 | 0 | 0 | 0 | 113.3 | F633 V712 L716 A793 D796 L797 | F633-T714 HydrophobicContact CZ-CG2 4.41Å; V712-T714 PolarHBondContact O-N 3.14Å; T714-L716 VanDerWaalsContact C-N 3.3Å; T714-L716 PolarHBondContact O-N 3.4Å; T714-A793 HydrophobicContact CG2-CB 3.78Å; T714-D796 PolarHBondContact OG1-OD2 3.35Å; T714-L797 HydrophobicContact CG2-CD1 4.29Å; T714-L797 HydrophobicContact CG2-CD2 4.15Å; T714-L797 HydrophobicContact CG2-CG 4.05Å |
| 715 | T | 93.2 | Very high | 93.9 | Very high | 44 Ų | 44 | 30.3 Ų | 30.3 | 27% | 0.27 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -83.2 | -3.2 | -178.6 | 72.1 | 0 | 0 | 0 | 0 | 114.4 | V712 | V712-T715 PolarHBondContact O-N 3.3Å; V712-T715 PolarHBondContact O-OG1 3.11Å |
| 716 | L | 92.2 | Very high | 93.9 | Very high | 12 Ų | 12 | 30.7 Ų | 30.7 | 6% | 0.063 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -66.5 | 152.5 | 176.9 | -63.3 | 176.9 | 0 | 0 | 0 | 111.5 | F654 K695 T714 L722 | F654-L716 HydrophobicContact CZ-CD1 3.75Å; K695-L716 HydrophobicContact CB-CD2 3.73Å; T714-L716 VanDerWaalsContact C-N 3.3Å; T714-L716 PolarHBondContact O-N 3.4Å; L716-L722 HydrophobicContact CD2-CD1 4.28Å |
| 717 | T | 91.7 | Very high | 93.8 | Very high | 35 Ų | 35 | 33.2 Ų | 33.2 | 22% | 0.215 | 17% | 0.169 | C | C | . | . | trans | -61.9 | 172.7 | 167.6 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | N719 G720 R800 | T717-N719 VanDerWaalsContact C-N 3.29Å; T717-N719 PolarHBondContact O-N 3.47Å; T717-G720 PolarHBondContact O-N 3.37Å; T717-G720 VanDerWaalsContact OG1-CA 3.27Å; T717-G720 WeakPolarHBondContact OG1-CA 3.49Å; T717-G720 PolarHBondContact OG1-N 3.39Å; T717-G720 VanDerWaalsContact OG1-N 3.09Å; T717-R800 VanDerWaalsContact O-CZ 3.25Å; T717-R800 PolarHBondContact O-NH2 2.96Å; T717-R800 VanDerWaalsContact O-NH2 3.14Å | ||
| 718 | I | 91.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.092 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -44 | -174.7 | -57.9 | 154.2 | 0 | 0 | 0 | 111.7 | R800 N803 E804 F807 V974 D976 | I718-R800 HydrophobicContact CG1-CG 4.16Å; I718-R800 PolarHBondContact O-NH2 2.93Å; I718-N803 HydrophobicContact CD1-CB 3.91Å; I718-N803 HydrophobicContact CG1-CB 4.49Å; I718-E804 HydrophobicContact CD1-CB 4.37Å; I718-E804 HydrophobicContact CG1-CB 4.49Å; I718-F807 HydrophobicContact CD1-CB 4.38Å; I718-F807 HydrophobicContact CD1-CD2 3.66Å; I718-F807 HydrophobicContact CD1-CE2 4.46Å; I718-F807 HydrophobicContact CD1-CG 4.42Å; I718-V974 HydrophobicContact CB-CG2 4.42Å; I718-V974 HydrophobicContact CD1-CG2 4.17Å; I718-V974 HydrophobicContact CG2-CG2 3.62Å; I718-D976 HydrophobicContact CB-CB 4.24Å; I718-D976 HydrophobicContact CD1-CB 4.04Å; I718-D976 PolarHBondContact N-OD2 2.91Å |
| 719 | N | 94.3 | Very high | 93.6 | Very high | 19 Ų | 19 | 35.7 Ų | 35.7 | 10% | 0.102 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 17.1 | 174.9 | -62.3 | -40 | 0 | 0 | 0 | 112.7 | T717 R721 Q739 V974 D976 | T717-N719 VanDerWaalsContact C-N 3.29Å; T717-N719 PolarHBondContact O-N 3.47Å; N719-R721 PolarHBondContact O-NH1 3.28Å; N719-Q739 HydrophobicContact CB-CB 4.34Å; N719-Q739 WeakPolarHBondContact CB-O 3.19Å; N719-Q739 VanDerWaalsContact O-CG 3.23Å; N719-Q739 WeakPolarHBondContact O-CG 3.3Å; N719-Q739 PolarHBondContact O-NE2 3.41Å; N719-V974 PolarHBondContact ND2-O 2.98Å; N719-D976 WeakPolarHBondContact CB-OD1 3.37Å; N719-D976 PolarHBondContact N-OD2 3.13Å; N719-D976 PolarHBondContact ND2-OD1 2.92Å |
| 720 | G | 94.1 | Very high | 93.6 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.031 | 17% | 0.168 | C | C | . | . | trans | -64.2 | 150.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | M696 T717 | M696-G720 WeakPolarHBondContact O-CA 3.4Å; T717-G720 PolarHBondContact O-N 3.37Å; T717-G720 VanDerWaalsContact OG1-CA 3.27Å; T717-G720 WeakPolarHBondContact OG1-CA 3.49Å; T717-G720 PolarHBondContact OG1-N 3.39Å; T717-G720 VanDerWaalsContact OG1-N 3.09Å | ||
| 721 | R | 95.5 | Very high | 93.6 | Very high | 54 Ų | 54 | 41.3 Ų | 41.3 | 20% | 0.204 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 157.9 | 175.9 | -66.8 | -67.3 | -174.6 | -79.3 | -3.4 | 110.6 | Y657 M696 N719 F723 L736 E738 Q739 | Y657-R721 HydrophobicContact CD2-CB 4.44Å; Y657-R721 HydrophobicContact CE2-CG 4.5Å; M696-R721 PolarHBondContact N-O 3.22Å; M696-R721 PolarHBondContact O-N 3.32Å; N719-R721 PolarHBondContact O-NH1 3.28Å; R721-F723 HydrophobicContact CB-CD2 4.38Å; R721-F723 HydrophobicContact CB-CE2 3.76Å; R721-L736 HydrophobicContact CG-CD1 3.96Å; R721-E738 IonicContact NH2-OE2 3.73Å; R721-Q739 HydrophobicContact CG-CG 3.64Å |
| 722 | L | 96.5 | Very high | 93.6 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 130.9 | -179.4 | -155.3 | 73.1 | 0 | 0 | 0 | 109.7 | F654 V656 Y657 V677 I693 K695 L705 V712 L716 | F654-L722 HydrophobicContact CD1-CD2 4.5Å; F654-L722 HydrophobicContact CE1-CB 3.76Å; F654-L722 HydrophobicContact CE1-CD2 4.16Å; V656-L722 HydrophobicContact CG2-CD2 4.26Å; Y657-L722 PolarHBondContact N-O 2.96Å; V677-L722 HydrophobicContact CG1-CD2 4.46Å; I693-L722 HydrophobicContact CG2-CD1 3.54Å; I693-L722 HydrophobicContact CG2-CD2 3.75Å; I693-L722 HydrophobicContact CG2-CG 3.55Å; K695-L722 HydrophobicContact CB-CD1 4.43Å; L705-L722 HydrophobicContact CD1-CD1 3.77Å; V712-L722 HydrophobicContact CG2-CD2 4.5Å; L716-L722 HydrophobicContact CD2-CD1 4.28Å |
| 723 | F | 97.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 147.5 | -178.9 | -74.1 | -102.6 | 0 | 0 | 0 | 111.1 | Y657 I693 V694 M696 R721 L733 L736 | Y657-F723 VanDerWaalsContact CB-CE1 3.5Å; Y657-F723 HydrophobicContact CG-CE1 4.46Å; Y657-F723 HydrophobicContact CG-CZ 4.46Å; Y657-F723 CarbonylContact O-C 3.53Å; Y657-F723 WeakPolarHBondContact O-CA 3.38Å; I693-F723 CarbonylContact C-O 3.51Å; I693-F723 WeakPolarHBondContact CA-O 3.34Å; V694-F723 HydrophobicContact CB-CB 4.41Å; V694-F723 PolarHBondContact N-O 3.43Å; V694-F723 PolarHBondContact O-N 3.46Å; M696-F723 HydrophobicContact CB-CD2 4.1Å; M696-F723 HydrophobicContact CB-CE2 4.13Å; M696-F723 HydrophobicContact CE-CD1 4.33Å; M696-F723 HydrophobicContact CE-CD2 3.63Å; M696-F723 HydrophobicContact CE-CE1 3.88Å; M696-F723 HydrophobicContact CE-CE2 3.11Å; M696-F723 HydrophobicContact CE-CG 4.22Å; M696-F723 HydrophobicContact CE-CZ 3.24Å; R721-F723 HydrophobicContact CB-CD2 4.38Å; R721-F723 HydrophobicContact CB-CE2 3.76Å; F723-L733 HydrophobicContact CB-CD1 4.2Å; F723-L733 HydrophobicContact CB-CD2 4.5Å; F723-L733 HydrophobicContact CD1-CD2 4.02Å; F723-L736 HydrophobicContact CE1-CD2 4.38Å; F723-L736 HydrophobicContact CZ-CD1 4.45Å; F723-L736 HydrophobicContact CZ-CD2 3.97Å; F723-L736 HydrophobicContact CZ-CG 3.95Å |
| 724 | A | 96.7 | Very high | 93.9 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 4% | 0.041 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.6 | 167 | 0 | 0 | 0 | 0 | 0 | 108.9 | V656 Y657 V681 I692 I693 | V656-A724 HydrophobicContact CG1-CB 3.71Å; Y657-A724 PolarHBondContact O-N 3.49Å; V681-A724 HydrophobicContact CG1-CB 3.84Å; I692-A724 WeakPolarHBondContact O-CA 3.44Å; I693-A724 HydrophobicContact CD1-CB 3.87Å |
| 725 | C | 94.8 | Very high | 94 | Very high | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.014 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 160.1 | 175.8 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | I692 Q729 L733 | I692-C725 WeakPolarHBondContact CG1-O 3.19Å; I692-C725 PolarHBondContact N-O 3.36Å; I692-C725 PolarHBondContact O-N 3.17Å; C725-Q729 HydrophobicContact CB-CB 4.38Å; C725-L733 HydrophobicContact CB-CD2 4.24Å |
| 726 | P | 93.7 | Very high | 94.1 | Very high | 24 Ų | 24 | 47.7 Ų | 47.7 | 16% | 0.156 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 149.2 | 162.6 | -20.5 | 33.2 | 0 | 0 | 0 | 111.1 | E689 E728 Q729 | E689-P726 WeakPolarHBondContact OE2-CG 3.18Å; P726-E728 PolarHBondContact O-N 2.69Å; P726-E728 VanDerWaalsContact O-N 3.14Å; P726-Q729 PolarHBondContact O-N 2.92Å |
| 727 | R | 92.2 | Very high | 94.2 | Very high | 203 Ų | 203 | 52 Ų | 52 | 77% | 0.766 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -58.9 | -30.5 | -177.3 | -167.7 | 168.6 | -176.2 | 159.8 | -0.3 | 113.7 | I692 Q729 F730 | I692-R727 HydrophobicContact CD1-CB 4.4Å; I692-R727 HydrophobicContact CD1-CG 4.39Å; R727-Q729 PolarHBondContact O-N 2.93Å; R727-F730 WeakPolarHBondContact O-CB 3.39Å; R727-F730 PolarHBondContact O-N 2.75Å |
| 728 | E | 92.1 | Very high | 94.1 | Very high | 186 Ų | 186 | 56.1 Ų | 56.1 | 87% | 0.869 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -67 | -22.7 | 177.9 | -59.1 | -179.3 | -173.2 | 0 | 0 | 113.2 | P726 | P726-E728 PolarHBondContact O-N 2.69Å; P726-E728 VanDerWaalsContact O-N 3.14Å |
| 729 | Q | 91.6 | Very high | 94.3 | Very high | 68 Ų | 68 | 55.3 Ų | 55.3 | 32% | 0.318 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -97.5 | 2.5 | -177 | -63.8 | 178.2 | -3.4 | 0 | 0 | 113.1 | M659 C725 P726 R727 D731 S732 L733 | M659-Q729 HydrophobicContact SD-CG 4.28Å; M659-Q729 PolarHBondContact SD-OE1 3.21Å; C725-Q729 HydrophobicContact CB-CB 4.38Å; P726-Q729 PolarHBondContact O-N 2.92Å; R727-Q729 PolarHBondContact O-N 2.93Å; Q729-D731 VanDerWaalsContact C-N 3.33Å; Q729-D731 PolarHBondContact O-N 3.24Å; Q729-S732 PolarHBondContact O-N 2.95Å; Q729-S732 VanDerWaalsContact O-N 3.13Å; Q729-L733 PolarHBondContact O-N 3.08Å |
| 730 | F | 93.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 58.4 Ų | 58.4 | 21% | 0.206 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -54.9 | -45.8 | -176.5 | 175.1 | -98.9 | 0 | 0 | 0 | 112.8 | I692 V694 K702 V704 R727 S732 L733 | I692-F730 HydrophobicContact CD1-CB 4.5Å; I692-F730 HydrophobicContact CD1-CD2 4.13Å; V694-F730 HydrophobicContact CG1-CD2 4.34Å; V694-F730 HydrophobicContact CG1-CE2 3.84Å; V694-F730 HydrophobicContact CG2-CD2 3.88Å; V694-F730 HydrophobicContact CG2-CE2 4.06Å; K702-F730 HydrophobicContact CB-CE1 4.45Å; K702-F730 HydrophobicContact CB-CE2 3.73Å; K702-F730 HydrophobicContact CB-CZ 3.53Å; K702-F730 HydrophobicContact CD-CE1 4.35Å; K702-F730 HydrophobicContact CD-CE2 4.32Å; K702-F730 HydrophobicContact CD-CZ 4.12Å; K702-F730 HydrophobicContact CG-CZ 4.48Å; K702-F730 PolarHBondContact NZ-O 3.16Å; V704-F730 HydrophobicContact CG2-CD2 3.93Å; V704-F730 HydrophobicContact CG2-CE2 3.51Å; V704-F730 HydrophobicContact CG2-CZ 4.18Å; R727-F730 WeakPolarHBondContact O-CB 3.39Å; R727-F730 PolarHBondContact O-N 2.75Å; F730-S732 VanDerWaalsContact C-N 3.25Å; F730-S732 PolarHBondContact O-N 3.5Å; F730-L733 PolarHBondContact O-N 3.11Å |
| 731 | D | 93.4 | Very high | 94.2 | Very high | 133 Ų | 133 | 59.4 Ų | 59.4 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -68.7 | -26 | -177.1 | -65.7 | -42.1 | 0 | 0 | 0 | 112.6 | K702 Q729 | K702-D731 VanDerWaalsContact NZ-C 3.3Å; K702-D731 PolarHBondContact NZ-O 2.74Å; Q729-D731 VanDerWaalsContact C-N 3.33Å; Q729-D731 PolarHBondContact O-N 3.24Å |
| 732 | S | 94.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 54% | 0.538 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -82.7 | -10.5 | -179.9 | -57.9 | 0 | 0 | 0 | 0 | 114.3 | Q729 F730 | Q729-S732 PolarHBondContact O-N 2.95Å; Q729-S732 VanDerWaalsContact O-N 3.13Å; F730-S732 VanDerWaalsContact C-N 3.25Å; F730-S732 PolarHBondContact O-N 3.5Å |
| 733 | L | 95.2 | Very high | 94.1 | Very high | 4 Ų | 4 | 64.2 Ų | 64.2 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | trans | -61.2 | 138.8 | 176.8 | -67.8 | 179.2 | 0 | 0 | 0 | 111.7 | M659 V694 M696 K702 F723 C725 Q729 F730 | M659-L733 HydrophobicContact CB-CD2 3.97Å; V694-L733 HydrophobicContact CB-CD1 4.09Å; V694-L733 HydrophobicContact CG1-CD1 4.1Å; V694-L733 HydrophobicContact CG2-CD1 4.1Å; M696-L733 HydrophobicContact CE-CB 4.37Å; M696-L733 HydrophobicContact SD-CB 4.39Å; K702-L733 HydrophobicContact CD-CB 4.26Å; K702-L733 WeakPolarHBondContact CE-O 3.39Å; K702-L733 PolarHBondContact NZ-O 3.39Å; F723-L733 HydrophobicContact CB-CD1 4.2Å; F723-L733 HydrophobicContact CB-CD2 4.5Å; F723-L733 HydrophobicContact CD1-CD2 4.02Å; C725-L733 HydrophobicContact CB-CD2 4.24Å; Q729-L733 PolarHBondContact O-N 3.08Å; F730-L733 PolarHBondContact O-N 3.11Å | ||
| 734 | T | 96.2 | Very high | 93.9 | Very high | 70 Ų | 70 | 69.4 Ų | 69.4 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | trans | -133.2 | 146 | 179.6 | 56.1 | 0 | 0 | 0 | 0 | 111.7 | H661 M696 | H661-T734 PolarHBondContact NE2-O 2.85Å; H661-T734 PolarHBondContact NE2-OG1 3.14Å; M696-T734 WeakPolarHBondContact CE-O 3.31Å | ||
| 735 | P | 95.5 | Very high | 93.7 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 22% | 0.221 | 38% | 0.383 | C | S | . | . | trans | -56.8 | 149.7 | 176 | -26.1 | 35.9 | 0 | 0 | 0 | 113.4 | M696 | M696-P735 HydrophobicContact CG-CG 4.49Å; M696-P735 HydrophobicContact SD-CG 4.15Å | ||
| 736 | L | 94.6 | Very high | 93.6 | Very high | 6 Ų | 6 | 72.7 Ų | 72.7 | 3% | 0.031 | 40% | 0.398 | C | S | . | . | trans | -78.4 | 150.5 | 172.7 | -50.6 | 172.2 | 0 | 0 | 0 | 110.5 | Y657 H661 R721 F723 E738 Q739 | Y657-L736 HydrophobicContact CD1-CD1 3.55Å; Y657-L736 HydrophobicContact CD1-CD2 4.05Å; Y657-L736 HydrophobicContact CD1-CG 4.43Å; Y657-L736 HydrophobicContact CD2-CD1 4.08Å; Y657-L736 HydrophobicContact CE1-CD1 3.37Å; Y657-L736 HydrophobicContact CE1-CD2 4.45Å; Y657-L736 HydrophobicContact CE2-CD1 3.93Å; Y657-L736 HydrophobicContact CG-CD1 3.91Å; H661-L736 HydrophobicContact CB-CD2 3.6Å; R721-L736 HydrophobicContact CG-CD1 3.96Å; F723-L736 HydrophobicContact CE1-CD2 4.38Å; F723-L736 HydrophobicContact CZ-CD1 4.45Å; F723-L736 HydrophobicContact CZ-CD2 3.97Å; F723-L736 HydrophobicContact CZ-CG 3.95Å; L736-E738 PolarHBondContact O-N 3.39Å; L736-E738 VanDerWaalsContact O-N 3.13Å; L736-Q739 HydrophobicContact CB-CG 4.11Å; L736-Q739 WeakPolarHBondContact O-CB 3.44Å; L736-Q739 PolarHBondContact O-N 2.93Å | ||
| 737 | P | 94.4 | Very high | 93.5 | Very high | 104 Ų | 104 | 72.5 Ų | 72.5 | 68% | 0.675 | 40% | 0.396 | S | S | * | . | G | 310 helix | trans | -55.3 | -32.8 | 174.1 | -26.7 | 35 | 0 | 0 | 0 | 114 | Q739 E740 | P737-Q739 PolarHBondContact O-N 3.15Å; P737-E740 WeakPolarHBondContact O-CB 3.33Å; P737-E740 PolarHBondContact O-N 3.34Å |
| 738 | E | 90.2 | Very high | 93.2 | Very high | 121 Ų | 121 | 65.5 Ų | 65.5 | 57% | 0.565 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -65.7 | -20.4 | 177 | -57.8 | 175.3 | -161.7 | 0 | 0 | 113.5 | R721 L736 E740 | R721-E738 IonicContact NH2-OE2 3.73Å; L736-E738 PolarHBondContact O-N 3.39Å; L736-E738 VanDerWaalsContact O-N 3.13Å; E738-E740 VanDerWaalsContact C-N 3.34Å |
| 739 | Q | 93.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -80.4 | -17.6 | -179.7 | -58.4 | -174.6 | -104.3 | 0 | 0 | 112.7 | M696 S698 N719 R721 L736 P737 G741 | M696-Q739 PolarHBondContact O-NE2 3.11Å; M696-Q739 VanDerWaalsContact O-NE2 3.09Å; S698-Q739 WeakPolarHBondContact CB-O 3.46Å; N719-Q739 HydrophobicContact CB-CB 4.34Å; N719-Q739 WeakPolarHBondContact CB-O 3.19Å; N719-Q739 VanDerWaalsContact O-CG 3.23Å; N719-Q739 WeakPolarHBondContact O-CG 3.3Å; N719-Q739 PolarHBondContact O-NE2 3.41Å; R721-Q739 HydrophobicContact CG-CG 3.64Å; L736-Q739 HydrophobicContact CB-CG 4.11Å; L736-Q739 WeakPolarHBondContact O-CB 3.44Å; L736-Q739 PolarHBondContact O-N 2.93Å; P737-Q739 PolarHBondContact O-N 3.15Å; Q739-G741 PolarHBondContact O-N 2.9Å |
| 740 | E | 93 | Very high | 93.2 | Very high | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.393 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -68.8 | -18 | -179 | -65.1 | -63.4 | 153.3 | 0 | 0 | 112.9 | P737 E738 | P737-E740 WeakPolarHBondContact O-CB 3.33Å; P737-E740 PolarHBondContact O-N 3.34Å; E738-E740 VanDerWaalsContact C-N 3.34Å |
| 741 | G | 93.6 | Very high | 93.1 | Very high | 25 Ų | 25 | 58.3 Ų | 58.3 | 26% | 0.258 | 36% | 0.359 | S | S | . | . | trans | 81 | -169 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q739 | Q739-G741 PolarHBondContact O-N 2.9Š| ||
| 742 | P | 96.1 | Very high | 93 | Very high | 29 Ų | 29 | 59.1 Ų | 59.1 | 19% | 0.188 | 36% | 0.363 | C | S | . | . | trans | -71.3 | 144.4 | -176.7 | 29.6 | -36.3 | 0 | 0 | 0 | 112.7 | T811 L815 I975 | P742-T811 HydrophobicContact CG-CG2 3.88Å; P742-L815 HydrophobicContact CG-CD1 4.32Å; P742-I975 HydrophobicContact CG-CG1 4.18Å; P742-I975 WeakPolarHBondContact O-CD1 3.45Å | ||
| 743 | T | 94.1 | Very high | 92.9 | Very high | 126 Ų | 126 | 56.3 Ų | 56.3 | 77% | 0.773 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -97 | -13.5 | 174.4 | 54.6 | 0 | 0 | 0 | 0 | 113.5 | ||
| 744 | V | 93.8 | Very high | 92.9 | Very high | 110 Ų | 110 | 58.6 Ų | 58.6 | 67% | 0.667 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -128.9 | 133.5 | 179.9 | -175.2 | 0 | 0 | 0 | 0 | 109 | ||
| 745 | G | 91.4 | Very high | 92.9 | Very high | 24 Ų | 24 | 56.1 Ų | 56.1 | 25% | 0.247 | 34% | 0.343 | C | S | . | . | trans | -71.9 | 160.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 746 | T | 94.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 57.7 Ų | 57.7 | 32% | 0.319 | 35% | 0.347 | S | S | . | . | trans | -105.7 | 12.7 | -176.7 | 64.6 | 0 | 0 | 0 | 0 | 113.7 | G748 T749 F750 E812 Y968 | T746-G748 PolarHBondContact O-N 3.15Å; T746-G748 VanDerWaalsContact O-N 3.09Å; T746-T749 WeakPolarHBondContact O-CB 3.36Å; T746-T749 PolarHBondContact O-N 3.36Å; T746-F750 WeakPolarHBondContact O-CD1 3.45Å; T746-F750 PolarHBondContact O-N 2.94Å; T746-E812 PolarHBondContact N-OE1 3.38Å; T746-E812 PolarHBondContact N-OE2 3.44Å; T746-E812 VanDerWaalsContact OG1-CD 3.27Å; T746-E812 PolarHBondContact OG1-OE1 3.31Å; T746-Y968 WeakPolarHBondContact OG1-CE2 3.08Å; T746-Y968 PolarHBondContact OG1-OH 2.93Å; T746-Y968 VanDerWaalsContact OG1-OH 3.07Å | ||
| 747 | V | 90 | Very high | 92.8 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -42.3 | -47.6 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 113.1 | T749 F750 E751 E812 L825 | V747-T749 PolarHBondContact O-N 3.33Å; V747-F750 HydrophobicContact CB-CE1 4.49Å; V747-F750 HydrophobicContact CG2-CE1 4.42Å; V747-F750 PolarHBondContact O-N 3.28Å; V747-E751 HydrophobicContact CG1-CB 4.33Å; V747-E751 WeakPolarHBondContact O-CB 3.39Å; V747-E751 PolarHBondContact O-N 3.33Å; V747-E812 WeakPolarHBondContact CG2-OE2 3.47Å; V747-E812 PolarHBondContact N-OE2 3.23Å; V747-L825 HydrophobicContact CG1-CD2 4Å; V747-L825 HydrophobicContact CG1-CG 4.46Å; V747-L825 HydrophobicContact CG2-CD1 3.8Å; V747-L825 HydrophobicContact CG2-CD2 4.07Å; V747-L825 HydrophobicContact CG2-CG 4.37Å |
| 748 | G | 87.3 | Confident | 92.9 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 58% | 0.577 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -60.4 | -20.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | T746 | T746-G748 PolarHBondContact O-N 3.15Å; T746-G748 VanDerWaalsContact O-N 3.09Å |
| 749 | T | 91.2 | Very high | 93.2 | Very high | 77 Ų | 77 | 48.9 Ų | 48.9 | 47% | 0.472 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -86.9 | -61.7 | 177.2 | -54.3 | 0 | 0 | 0 | 0 | 111 | T746 V747 E751 L752 M753 Y968 | T746-T749 WeakPolarHBondContact O-CB 3.36Å; T746-T749 PolarHBondContact O-N 3.36Å; V747-T749 PolarHBondContact O-N 3.33Å; T749-E751 PolarHBondContact O-N 3.37Å; T749-L752 PolarHBondContact O-N 2.99Å; T749-M753 HydrophobicContact CG2-CE 4Å; T749-Y968 HydrophobicContact CG2-CD2 4.32Å |
| 750 | F | 92.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -81.5 | -14.2 | -171.9 | 80.9 | -84.7 | 0 | 0 | 0 | 113.6 | T746 V747 L752 M753 L758 W808 E812 L825 K828 F829 Y968 | T746-F750 WeakPolarHBondContact O-CD1 3.45Å; T746-F750 PolarHBondContact O-N 2.94Å; V747-F750 HydrophobicContact CB-CE1 4.49Å; V747-F750 HydrophobicContact CG2-CE1 4.42Å; V747-F750 PolarHBondContact O-N 3.28Å; F750-L752 PolarHBondContact O-N 2.84Å; F750-M753 HydrophobicContact CB-SD 4.08Å; F750-M753 WeakPolarHBondContact O-CB 3.28Å; F750-M753 PolarHBondContact O-N 3.03Å; F750-M753 VanDerWaalsContact O-N 3.11Å; F750-L758 HydrophobicContact CB-CD1 4.43Å; F750-L758 HydrophobicContact CB-CD2 4.47Å; F750-L758 HydrophobicContact CD2-CD1 4.02Å; F750-W808 HydrophobicContact CD2-CZ2 4.14Å; F750-W808 HydrophobicContact CE2-CZ2 4.09Å; F750-W808 HydrophobicContact CZ-CZ2 4.42Å; F750-E812 HydrophobicContact CE1-CB 4.48Å; F750-E812 HydrophobicContact CE1-CG 3.92Å; F750-E812 HydrophobicContact CZ-CB 4.4Å; F750-E812 HydrophobicContact CZ-CG 4.18Å; F750-L825 HydrophobicContact CE1-CD2 4.38Å; F750-L825 HydrophobicContact CE2-CD2 4.13Å; F750-L825 HydrophobicContact CZ-CD2 3.53Å; F750-K828 HydrophobicContact CD2-CD 4.12Å; F750-K828 HydrophobicContact CE2-CD 3.91Å; F750-K828 WeakPolarHBondContact O-CE 3.47Å; F750-K828 PolarHBondContact O-NZ 3.26Å; F750-F829 HydrophobicContact CE2-CE1 4.34Å; F750-F829 HydrophobicContact CE2-CZ 4.2Å; F750-F829 AromaticContact CZ-CZ 3.97Å; F750-F829 HydrophobicContact CZ-CZ 3.97Å; F750-Y968 HydrophobicContact CB-CD1 4.11Å; F750-Y968 HydrophobicContact CB-CE1 3.56Å; F750-Y968 HydrophobicContact CB-CE2 4.15Å; F750-Y968 HydrophobicContact CD1-CE1 4.4Å; F750-Y968 HydrophobicContact CD1-CE2 4.37Å; F750-Y968 AromaticContact CD1-CZ 3.73Å; F750-Y968 WeakPolarHBondContact CD1-OH 3.41Å; F750-Y968 HydrophobicContact CG-CE1 4.02Å; F750-Y968 AromaticContact CG-CZ 3.82Å; F750-Y968 WeakPolarHBondContact CG-OH 3.23Å |
| 751 | E | 90.7 | Very high | 93.3 | Very high | 74 Ų | 74 | 47.3 Ų | 47.3 | 35% | 0.346 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -38.2 | 170.4 | -179 | 174.4 | -162.7 | 0 | 0 | 111.5 | V747 T749 M753 K828 | V747-E751 HydrophobicContact CG1-CB 4.33Å; V747-E751 WeakPolarHBondContact O-CB 3.39Å; V747-E751 PolarHBondContact O-N 3.33Å; T749-E751 PolarHBondContact O-N 3.37Å; E751-M753 VanDerWaalsContact C-N 3.29Å; E751-M753 PolarHBondContact O-N 3.4Å; E751-K828 PolarHBondContact O-NZ 2.73Å |
| 752 | L | 90.8 | Very high | 93.5 | Very high | 150 Ų | 150 | 46.2 Ų | 46.2 | 79% | 0.785 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -19.2 | 179.2 | -57.5 | 176 | 0 | 0 | 0 | 113.4 | T749 F750 | T749-L752 PolarHBondContact O-N 2.99Å; F750-L752 PolarHBondContact O-N 2.84Å |
| 753 | M | 93.9 | Very high | 93.5 | Very high | 17 Ų | 17 | 44.9 Ų | 44.9 | 8% | 0.084 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -83.2 | 141 | 178.5 | -56.7 | 174.1 | 176.8 | 0 | 0 | 110.1 | T749 F750 E751 L758 K828 V965 Y968 | T749-M753 HydrophobicContact CG2-CE 4Å; F750-M753 HydrophobicContact CB-SD 4.08Å; F750-M753 WeakPolarHBondContact O-CB 3.28Å; F750-M753 PolarHBondContact O-N 3.03Å; F750-M753 VanDerWaalsContact O-N 3.11Å; E751-M753 VanDerWaalsContact C-N 3.29Å; E751-M753 PolarHBondContact O-N 3.4Å; M753-L758 HydrophobicContact CB-CD1 4.13Å; M753-L758 HydrophobicContact CB-CD2 4.28Å; M753-L758 HydrophobicContact CB-CG 3.99Å; M753-L758 HydrophobicContact SD-CD2 3.88Å; M753-K828 PolarHBondContact O-NZ 2.77Å; M753-V965 HydrophobicContact CB-CG2 4.24Å; M753-V965 HydrophobicContact CE-CG2 4.36Å; M753-V965 HydrophobicContact CG-CG2 3.89Å; M753-V965 HydrophobicContact SD-CB 4.2Å; M753-V965 HydrophobicContact SD-CG1 4.16Å; M753-V965 HydrophobicContact SD-CG2 3.88Å; M753-Y968 HydrophobicContact CE-CG 4.39Å; M753-Y968 HydrophobicContact SD-CD1 4.3Å; M753-Y968 HydrophobicContact SD-CG 4.37Å |
| 754 | S | 94.4 | Very high | 93.5 | Very high | 52 Ų | 52 | 40.8 Ų | 40.8 | 36% | 0.364 | 24% | 0.241 | S | C | . | . | trans | -68.3 | 147 | 178.4 | 91.1 | 0 | 0 | 0 | 0 | 111 | K756 D757 L758 | S754-K756 PolarHBondContact O-N 2.96Å; S754-D757 WeakPolarHBondContact CB-OD2 3.5Å; S754-D757 PolarHBondContact O-N 3.47Å; S754-D757 WeakPolarHBondContact OG-CB 3.49Å; S754-D757 PolarHBondContact OG-N 3.01Å; S754-D757 PolarHBondContact OG-OD2 3.36Å; S754-L758 PolarHBondContact O-N 2.84Å; S754-L758 VanDerWaalsContact O-N 3.1Å | ||
| 755 | S | 96.9 | Very high | 93.6 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 13% | 0.126 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -31 | 176.6 | -64.2 | 0 | 0 | 0 | 0 | 112.4 | A759 | S755-A759 WeakPolarHBondContact O-CB 3.35Å; S755-A759 PolarHBondContact O-N 3.39Å; S755-A759 VanDerWaalsContact O-N 3.15Å |
| 756 | K | 94.6 | Very high | 93.9 | Very high | 68 Ų | 68 | 35.7 Ų | 35.7 | 30% | 0.296 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -72.1 | -44.2 | 178.1 | -173.7 | 173.2 | 175.3 | 175.4 | 0 | 111.5 | S754 A759 Y760 Y839 | S754-K756 PolarHBondContact O-N 2.96Å; K756-A759 PolarHBondContact O-N 3.1Å; K756-Y760 VanDerWaalsContact O-CB 3.22Å; K756-Y760 WeakPolarHBondContact O-CB 3.43Å; K756-Y760 PolarHBondContact O-N 3.4Å; K756-Y839 WeakPolarHBondContact CE-OH 3.49Å; K756-Y839 VanDerWaalsContact CG-OH 3.27Å; K756-Y839 WeakPolarHBondContact CG-OH 3.48Å |
| 757 | D | 93 | Very high | 94.1 | Very high | 45 Ų | 45 | 33.8 Ų | 33.8 | 24% | 0.241 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.3 | -40.6 | 178.3 | -63.8 | -42.6 | 0 | 0 | 0 | 111.9 | S754 Y760 Q761 V965 | S754-D757 WeakPolarHBondContact CB-OD2 3.5Å; S754-D757 PolarHBondContact O-N 3.47Å; S754-D757 WeakPolarHBondContact OG-CB 3.49Å; S754-D757 PolarHBondContact OG-N 3.01Å; S754-D757 PolarHBondContact OG-OD2 3.36Å; D757-Y760 PolarHBondContact O-N 3.09Å; D757-Q761 WeakPolarHBondContact O-CB 3.29Å; D757-Q761 WeakPolarHBondContact O-CG 3.38Å; D757-Q761 PolarHBondContact O-N 3.44Å; D757-V965 HydrophobicContact CB-CG1 4.32Å; D757-V965 HydrophobicContact CB-CG2 4.5Å |
| 758 | L | 96.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.2 | -52.7 | 173.2 | -75.4 | 167.1 | 0 | 0 | 0 | 110.8 | F750 M753 S754 Y760 Q761 M762 I832 V965 Y968 V969 | F750-L758 HydrophobicContact CB-CD1 4.43Å; F750-L758 HydrophobicContact CB-CD2 4.47Å; F750-L758 HydrophobicContact CD2-CD1 4.02Å; M753-L758 HydrophobicContact CB-CD1 4.13Å; M753-L758 HydrophobicContact CB-CD2 4.28Å; M753-L758 HydrophobicContact CB-CG 3.99Å; M753-L758 HydrophobicContact SD-CD2 3.88Å; S754-L758 PolarHBondContact O-N 2.84Å; S754-L758 VanDerWaalsContact O-N 3.1Å; L758-Y760 VanDerWaalsContact C-N 3.3Å; L758-Y760 PolarHBondContact O-N 3.45Å; L758-Q761 PolarHBondContact O-N 3.12Å; L758-M762 WeakPolarHBondContact O-CB 3.46Å; L758-M762 WeakPolarHBondContact O-CG 3.19Å; L758-M762 PolarHBondContact O-N 3.26Å; L758-I832 HydrophobicContact CB-CD1 4.36Å; L758-I832 HydrophobicContact CB-CG1 4.36Å; L758-I832 HydrophobicContact CD1-CD1 3.75Å; L758-I832 HydrophobicContact CD1-CG1 4.36Å; L758-V965 HydrophobicContact CD2-CG1 3.99Å; L758-V965 HydrophobicContact CG-CG1 4.4Å; L758-Y968 HydrophobicContact CD2-CD1 4.01Å; L758-Y968 HydrophobicContact CD2-CE1 4.24Å; L758-V969 HydrophobicContact CD2-CG2 3.91Å |
| 759 | A | 97.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -61.2 | -38.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | S755 K756 T763 I832 H835 Y839 | S755-A759 WeakPolarHBondContact O-CB 3.35Å; S755-A759 PolarHBondContact O-N 3.39Å; S755-A759 VanDerWaalsContact O-N 3.15Å; K756-A759 PolarHBondContact O-N 3.1Å; A759-T763 WeakPolarHBondContact O-CB 3.39Å; A759-T763 PolarHBondContact O-N 2.88Å; A759-T763 PolarHBondContact O-OG1 2.91Å; A759-I832 HydrophobicContact CB-CG2 4.18Å; A759-H835 HydrophobicContact CB-CB 3.48Å; A759-H835 VanDerWaalsContact CB-CB 3.48Å; A759-Y839 HydrophobicContact CB-CD2 4.28Å; A759-Y839 HydrophobicContact CB-CE2 4.18Å |
| 760 | Y | 94.6 | Very high | 95.1 | Very high | 42 Ų | 42 | 28 Ų | 28 | 17% | 0.165 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.1 | -51.4 | 176.7 | 177.4 | -91.5 | 0 | 0 | 0 | 112 | K756 D757 L758 M762 T763 I764 Y839 P953 | K756-Y760 VanDerWaalsContact O-CB 3.22Å; K756-Y760 WeakPolarHBondContact O-CB 3.43Å; K756-Y760 PolarHBondContact O-N 3.4Å; D757-Y760 PolarHBondContact O-N 3.09Å; L758-Y760 VanDerWaalsContact C-N 3.3Å; L758-Y760 PolarHBondContact O-N 3.45Å; Y760-M762 VanDerWaalsContact C-N 3.31Å; Y760-M762 PolarHBondContact O-N 2.96Å; Y760-T763 PolarHBondContact O-N 3.11Å; Y760-T763 VanDerWaalsContact O-N 3.15Å; Y760-I764 HydrophobicContact CD1-CD1 3.8Å; Y760-I764 HydrophobicContact CE1-CD1 3.15Å; Y760-I764 HydrophobicContact CE1-CG1 4.19Å; Y760-I764 HydrophobicContact CE2-CD1 4.47Å; Y760-I764 PolarHBondContact O-N 2.69Å; Y760-Y839 HydrophobicContact CD2-CE1 4.37Å; Y760-P953 HydrophobicContact CD2-CB 4.44Å; Y760-P953 HydrophobicContact CD2-CG 3.93Å; Y760-P953 HydrophobicContact CE2-CB 3.89Å; Y760-P953 HydrophobicContact CE2-CG 3.16Å |
| 761 | Q | 93.9 | Very high | 95.3 | Very high | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.047 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.9 | -34.8 | 178.9 | -71.2 | -60.2 | -39.5 | 0 | 0 | 111.9 | D757 L758 Y765 H962 V965 V969 | D757-Q761 WeakPolarHBondContact O-CB 3.29Å; D757-Q761 WeakPolarHBondContact O-CG 3.38Å; D757-Q761 PolarHBondContact O-N 3.44Å; L758-Q761 PolarHBondContact O-N 3.12Å; Q761-Y765 WeakPolarHBondContact O-CB 3.43Å; Q761-Y765 PolarHBondContact O-N 2.83Å; Q761-Y765 VanDerWaalsContact O-N 3.09Å; Q761-H962 PolarHBondContact NE2-ND1 3.4Å; Q761-V965 HydrophobicContact CB-CG1 4.13Å; Q761-V965 HydrophobicContact CG-CB 4.2Å; Q761-V965 HydrophobicContact CG-CG1 3.79Å; Q761-V969 HydrophobicContact CB-CB 4.38Å; Q761-V969 HydrophobicContact CB-CG1 4.46Å; Q761-V969 HydrophobicContact CB-CG2 4.14Å |
| 762 | M | 96.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.6 | -49.6 | 170.6 | -73.9 | 174.7 | 75.7 | 0 | 0 | 110.1 | L758 Y760 I764 Y765 D766 I805 W808 I832 I848 V969 | L758-M762 WeakPolarHBondContact O-CB 3.46Å; L758-M762 WeakPolarHBondContact O-CG 3.19Å; L758-M762 PolarHBondContact O-N 3.26Å; Y760-M762 VanDerWaalsContact C-N 3.31Å; Y760-M762 PolarHBondContact O-N 2.96Å; M762-I764 PolarHBondContact O-N 3.43Å; M762-Y765 PolarHBondContact O-N 3.11Å; M762-Y765 VanDerWaalsContact O-N 3.13Å; M762-D766 WeakPolarHBondContact O-CB 3.29Å; M762-D766 PolarHBondContact O-N 3.45Å; M762-D766 VanDerWaalsContact O-OD2 3.11Å; M762-I805 HydrophobicContact CE-CB 4.45Å; M762-I805 HydrophobicContact CE-CD1 3.67Å; M762-I805 HydrophobicContact CE-CG1 3.89Å; M762-I805 HydrophobicContact CE-CG2 3.68Å; M762-W808 HydrophobicContact CE-CZ3 4.22Å; M762-W808 HydrophobicContact SD-CZ3 4.14Å; M762-I832 HydrophobicContact SD-CG2 3.99Å; M762-I848 HydrophobicContact CE-CD1 4.26Å; M762-V969 HydrophobicContact CB-CG1 4.17Å; M762-V969 HydrophobicContact CG-CB 4.48Å; M762-V969 HydrophobicContact CG-CG1 3.51Å; M762-V969 HydrophobicContact CG-CG2 4.09Å |
| 763 | T | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.3 | -40.5 | -178 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | A759 Y760 Y765 D766 W767 N841 F951 | A759-T763 WeakPolarHBondContact O-CB 3.39Å; A759-T763 PolarHBondContact O-N 2.88Å; A759-T763 PolarHBondContact O-OG1 2.91Å; Y760-T763 PolarHBondContact O-N 3.11Å; Y760-T763 VanDerWaalsContact O-N 3.15Å; T763-Y765 PolarHBondContact O-N 3.26Å; T763-D766 PolarHBondContact O-N 3.46Å; T763-W767 WeakPolarHBondContact O-CB 3.41Å; T763-W767 PolarHBondContact O-N 3.46Å; T763-N841 WeakPolarHBondContact CA-ND2 3.23Å; T763-N841 HydrophobicContact CG2-CB 3.82Å; T763-N841 WeakPolarHBondContact OG1-CB 3.22Å; T763-N841 PolarHBondContact OG1-ND2 3.04Å; T763-N841 VanDerWaalsContact OG1-ND2 3.11Å; T763-F951 HydrophobicContact CG2-CD1 4.37Å; T763-F951 HydrophobicContact CG2-CD2 4.48Å; T763-F951 HydrophobicContact CG2-CE1 3.76Å; T763-F951 HydrophobicContact CG2-CE2 3.9Å; T763-F951 HydrophobicContact CG2-CZ 3.5Å; T763-F951 VanDerWaalsContact CG2-CZ 3.5Å |
| 764 | I | 94.3 | Very high | 96.1 | Very high | 40 Ų | 40 | 23.6 Ų | 23.6 | 21% | 0.205 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.3 | -47.3 | 173 | -70.7 | 178.3 | 0 | 0 | 0 | 111 | Y760 M762 D766 W767 E768 F951 | Y760-I764 HydrophobicContact CD1-CD1 3.8Å; Y760-I764 HydrophobicContact CE1-CD1 3.15Å; Y760-I764 HydrophobicContact CE1-CG1 4.19Å; Y760-I764 HydrophobicContact CE2-CD1 4.47Å; Y760-I764 PolarHBondContact O-N 2.69Å; M762-I764 PolarHBondContact O-N 3.43Å; I764-D766 VanDerWaalsContact C-N 3.35Å; I764-W767 PolarHBondContact O-N 2.78Å; I764-E768 WeakPolarHBondContact O-CG 3.24Å; I764-E768 PolarHBondContact O-N 3.25Å; I764-F951 HydrophobicContact CG1-CE1 4.2Å |
| 765 | Y | 95.3 | Very high | 96.2 | Very high | 28 Ų | 28 | 21.9 Ų | 21.9 | 11% | 0.11 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.7 | -40.3 | -178.3 | -177.7 | -127.3 | 0 | 0 | 0 | 112.1 | R643 Q761 M762 T763 E768 L769 R970 | R643-Y765 HydrophobicContact CG-CD2 4.39Å; R643-Y765 HydrophobicContact CG-CE2 3.84Å; Q761-Y765 WeakPolarHBondContact O-CB 3.43Å; Q761-Y765 PolarHBondContact O-N 2.83Å; Q761-Y765 VanDerWaalsContact O-N 3.09Å; M762-Y765 PolarHBondContact O-N 3.11Å; M762-Y765 VanDerWaalsContact O-N 3.13Å; T763-Y765 PolarHBondContact O-N 3.26Å; Y765-E768 WeakPolarHBondContact O-CB 3.24Å; Y765-E768 PolarHBondContact O-N 3.48Å; Y765-L769 HydrophobicContact CD1-CD1 4.2Å; Y765-L769 HydrophobicContact CE1-CD1 3.79Å; Y765-L769 HydrophobicContact CE2-CD1 4.33Å; Y765-L769 HydrophobicContact CE2-CG 4.31Å; Y765-L769 PolarHBondContact O-N 2.95Å; Y765-R970 HydrophobicContact CD1-CG 4.19Å; Y765-R970 HydrophobicContact CD2-CG 3.75Å; Y765-R970 HydrophobicContact CE1-CG 4.47Å; Y765-R970 HydrophobicContact CE2-CG 4.05Å; Y765-R970 HydrophobicContact CG-CG 3.81Å |
| 766 | D | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.9 | -37.7 | 176.4 | -60.7 | -27.9 | 0 | 0 | 0 | 111.3 | M762 T763 I764 L769 F770 F798 R801 N841 S844 I903 | M762-D766 WeakPolarHBondContact O-CB 3.29Å; M762-D766 PolarHBondContact O-N 3.45Å; M762-D766 VanDerWaalsContact O-OD2 3.11Å; T763-D766 PolarHBondContact O-N 3.46Å; I764-D766 VanDerWaalsContact C-N 3.35Å; D766-L769 PolarHBondContact O-N 2.85Å; D766-F770 WeakPolarHBondContact O-CB 3.47Å; D766-F770 PolarHBondContact O-N 3.2Å; D766-F798 HydrophobicContact CB-CE2 4.22Å; D766-R801 IonicContact OD1-NE 2.93Å; D766-R801 PolarHBondContact OD1-NE 2.91Å; D766-R801 VanDerWaalsContact OD1-NE 3.16Å; D766-N841 PolarHBondContact OD2-ND2 3.32Å; D766-S844 WeakPolarHBondContact OD2-CB 3.27Å; D766-S844 PolarHBondContact OD2-OG 2.72Å; D766-I903 HydrophobicContact CB-CD1 3.7Å |
| 767 | W | 97.3 | Very high | 96.4 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 4% | 0.042 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -62.2 | -40.6 | 172.3 | -93.4 | 109.5 | 0 | 0 | 0 | 112.8 | T763 I764 F770 N771 P901 I903 R947 F951 | T763-W767 WeakPolarHBondContact O-CB 3.41Å; T763-W767 PolarHBondContact O-N 3.46Å; I764-W767 PolarHBondContact O-N 2.78Å; W767-F770 HydrophobicContact CE3-CD1 4.14Å; W767-F770 HydrophobicContact CH2-CD1 4.5Å; W767-F770 AromaticContact CZ3-CD1 3.97Å; W767-F770 HydrophobicContact CZ3-CD1 3.97Å; W767-F770 HydrophobicContact CZ3-CE1 4.33Å; W767-F770 PolarHBondContact O-N 3.29Å; W767-N771 VanDerWaalsContact O-CB 3.28Å; W767-N771 WeakPolarHBondContact O-CB 3.46Å; W767-N771 VanDerWaalsContact O-CG 3.26Å; W767-N771 PolarHBondContact O-N 2.7Å; W767-N771 PolarHBondContact O-ND2 2.8Å; W767-P901 HydrophobicContact CH2-CB 3.8Å; W767-P901 HydrophobicContact CZ2-CB 3.49Å; W767-P901 VanDerWaalsContact CZ2-CB 3.49Å; W767-I903 HydrophobicContact CB-CD1 4.49Å; W767-I903 HydrophobicContact CD2-CD1 4.12Å; W767-I903 HydrophobicContact CD2-CG1 4.07Å; W767-I903 HydrophobicContact CG-CD1 3.88Å; W767-I903 HydrophobicContact CG-CG1 4.35Å; W767-I903 HydrophobicContact CZ2-CG1 3.93Å; W767-R947 HydrophobicContact CH2-CB 4.22Å; W767-R947 HydrophobicContact CZ3-CB 3.75Å; W767-F951 AromaticContact CD1-CD1 3.61Å; W767-F951 AromaticContact CD1-CG 3.45Å; W767-F951 VanDerWaalsContact CD1-CG 3.45Å; W767-F951 HydrophobicContact CD2-CB 3.93Å; W767-F951 HydrophobicContact CG-CB 3.94Å; W767-F951 HydrophobicContact CG-CD1 4.45Å; W767-F951 HydrophobicContact CG-CG 4.27Å; W767-F951 HydrophobicContact CZ2-CB 4.27Å; W767-F951 AromaticContact NE1-CD1 3.97Å; W767-F951 AromaticContact NE1-CD2 3.48Å; W767-F951 AromaticContact NE1-CG 3.33Å; W767-F951 VanDerWaalsContact NE1-CG 3.33Å |
| 768 | E | 95.1 | Very high | 96.7 | Very high | 24 Ų | 24 | 16 Ų | 16 | 11% | 0.112 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.1 | -45.7 | 175.4 | -71.4 | 176.5 | -162.3 | 0 | 0 | 111.3 | K642 R643 I764 Y765 C772 R970 | K642-E768 VanDerWaalsContact CA-OE2 3.31Å; K642-E768 WeakPolarHBondContact CA-OE2 3.46Å; K642-E768 HydrophobicContact CG-CG 4.17Å; R643-E768 HydrophobicContact CB-CB 4.02Å; R643-E768 HydrophobicContact CG-CB 4.14Å; R643-E768 PolarHBondContact N-OE2 3.48Å; I764-E768 WeakPolarHBondContact O-CG 3.24Å; I764-E768 PolarHBondContact O-N 3.25Å; Y765-E768 WeakPolarHBondContact O-CB 3.24Å; Y765-E768 PolarHBondContact O-N 3.48Å; E768-C772 PolarHBondContact O-N 2.85Å; E768-C772 PolarHBondContact O-SG 2.89Å; E768-R970 VanDerWaalsContact CD-NH2 3.31Å; E768-R970 IonicContact OE1-CZ 3.56Å; E768-R970 IonicContact OE1-NH1 2.77Å; E768-R970 PolarHBondContact OE1-NH1 3.21Å; E768-R970 IonicContact OE1-NH2 2.61Å; E768-R970 PolarHBondContact OE1-NH2 3.35Å; E768-R970 IonicContact OE2-CZ 3.84Å; E768-R970 IonicContact OE2-NH1 3.96Å; E768-R970 PolarHBondContact OE2-NH1 2.76Å; E768-R970 IonicContact OE2-NH2 2.82Å; E768-R970 PolarHBondContact OE2-NH2 3.21Å |
| 769 | L | 95.9 | Very high | 96.8 | Very high | 7 Ų | 7 | 16 Ų | 16 | 4% | 0.037 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -65 | -45.2 | 176.7 | -68.8 | 171.4 | 0 | 0 | 0 | 111.8 | R643 Y765 D766 N771 C772 F798 R801 | R643-L769 HydrophobicContact CG-CD2 3.99Å; R643-L769 HydrophobicContact CG-CG 4.47Å; Y765-L769 HydrophobicContact CD1-CD1 4.2Å; Y765-L769 HydrophobicContact CE1-CD1 3.79Å; Y765-L769 HydrophobicContact CE2-CD1 4.33Å; Y765-L769 HydrophobicContact CE2-CG 4.31Å; Y765-L769 PolarHBondContact O-N 2.95Å; D766-L769 PolarHBondContact O-N 2.85Å; L769-N771 PolarHBondContact O-N 3.22Å; L769-C772 WeakPolarHBondContact O-CB 3.31Å; L769-C772 PolarHBondContact O-N 3.42Å; L769-C772 VanDerWaalsContact O-N 3.14Å; L769-F798 HydrophobicContact CB-CB 4.37Å; L769-F798 HydrophobicContact CB-CD2 3.64Å; L769-F798 HydrophobicContact CB-CE2 4.34Å; L769-F798 HydrophobicContact CB-CG 4.29Å; L769-F798 HydrophobicContact CD1-CD2 4.37Å; L769-R801 HydrophobicContact CD1-CB 3.96Å; L769-R801 HydrophobicContact CD1-CG 3.82Å |
| 770 | F | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.7 | -40.2 | -178.8 | -175.5 | -138.9 | 0 | 0 | 0 | 112.6 | D766 W767 C772 V773 F798 I903 P904 M906 V943 R947 | D766-F770 WeakPolarHBondContact O-CB 3.47Å; D766-F770 PolarHBondContact O-N 3.2Å; W767-F770 HydrophobicContact CE3-CD1 4.14Å; W767-F770 HydrophobicContact CH2-CD1 4.5Å; W767-F770 AromaticContact CZ3-CD1 3.97Å; W767-F770 HydrophobicContact CZ3-CD1 3.97Å; W767-F770 HydrophobicContact CZ3-CE1 4.33Å; W767-F770 PolarHBondContact O-N 3.29Å; F770-C772 VanDerWaalsContact C-N 3.27Å; F770-C772 PolarHBondContact O-N 2.86Å; F770-V773 WeakPolarHBondContact O-CB 3.39Å; F770-V773 PolarHBondContact O-N 3.4Å; F770-F798 HydrophobicContact CB-CD1 4.39Å; F770-F798 HydrophobicContact CB-CE1 3.79Å; F770-F798 HydrophobicContact CB-CE2 4.18Å; F770-F798 HydrophobicContact CB-CZ 3.72Å; F770-F798 AromaticContact CD2-CD1 3.98Å; F770-F798 HydrophobicContact CD2-CD1 3.98Å; F770-F798 AromaticContact CD2-CE1 3.34Å; F770-F798 HydrophobicContact CD2-CE1 3.34Å; F770-F798 HydrophobicContact CD2-CZ 4.04Å; F770-F798 HydrophobicContact CE2-CE1 4.15Å; F770-F798 AromaticContact CG-CE1 3.84Å; F770-F798 HydrophobicContact CG-CE1 3.84Å; F770-F798 HydrophobicContact CG-CZ 4.07Å; F770-I903 HydrophobicContact CD1-CG1 4.28Å; F770-I903 HydrophobicContact CD1-CG2 4.38Å; F770-P904 HydrophobicContact CZ-CG 4.23Å; F770-M906 HydrophobicContact CD2-SD 4.47Å; F770-M906 HydrophobicContact CE2-CE 4.48Å; F770-M906 HydrophobicContact CE2-SD 3.87Å; F770-V943 HydrophobicContact CE2-CG1 3.69Å; F770-V943 HydrophobicContact CZ-CG1 3.71Å; F770-R947 HydrophobicContact CE1-CB 4.1Å |
| 771 | N | 96.9 | Very high | 96.9 | Very high | 85 Ų | 85 | 16.8 Ų | 16.8 | 46% | 0.455 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -72.5 | -19.1 | 176.4 | -73 | -24.2 | 0 | 0 | 0 | 113.3 | W767 L769 V773 | W767-N771 VanDerWaalsContact O-CB 3.28Å; W767-N771 WeakPolarHBondContact O-CB 3.46Å; W767-N771 VanDerWaalsContact O-CG 3.26Å; W767-N771 PolarHBondContact O-N 2.7Å; W767-N771 PolarHBondContact O-ND2 2.8Å; L769-N771 PolarHBondContact O-N 3.22Å; N771-V773 VanDerWaalsContact C-N 3.27Å |
| 772 | C | 96.6 | Very high | 96.9 | Very high | 12 Ų | 12 | 16.9 Ų | 16.9 | 8% | 0.081 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -73.5 | -20.4 | 171.4 | -67.8 | 0 | 0 | 0 | 0 | 112.5 | P645 E768 L769 F770 H774 N794 | P645-C772 HydrophobicContact CG-CB 4.46Å; E768-C772 PolarHBondContact O-N 2.85Å; E768-C772 PolarHBondContact O-SG 2.89Å; L769-C772 WeakPolarHBondContact O-CB 3.31Å; L769-C772 PolarHBondContact O-N 3.42Å; L769-C772 VanDerWaalsContact O-N 3.14Å; F770-C772 VanDerWaalsContact C-N 3.27Å; F770-C772 PolarHBondContact O-N 2.86Å; C772-H774 PolarHBondContact O-N 2.81Å; C772-N794 HydrophobicContact CB-CB 4.06Å; C772-N794 WeakPolarHBondContact O-CB 3.41Å; C772-N794 VanDerWaalsContact O-CG 3.26Å; C772-N794 PolarHBondContact O-ND2 2.78Å |
| 773 | V | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 17.7 Ų | 17.7 | 2% | 0.024 | 9% | 0.086 | C | C | . | . | trans | -73.9 | 116.9 | -179.7 | -175.3 | 0 | 0 | 0 | 0 | 110 | F770 N771 E777 N794 L795 F798 R947 | F770-V773 WeakPolarHBondContact O-CB 3.39Å; F770-V773 PolarHBondContact O-N 3.4Å; N771-V773 VanDerWaalsContact C-N 3.27Å; V773-E777 HydrophobicContact CG1-CB 4.34Å; V773-N794 HydrophobicContact CG2-CB 4.22Å; V773-L795 HydrophobicContact CG1-CB 4.03Å; V773-L795 HydrophobicContact CG1-CD1 4.19Å; V773-F798 HydrophobicContact CG2-CB 4.19Å; V773-F798 HydrophobicContact CG2-CD1 4.32Å; V773-R947 PolarHBondContact O-NH1 2.81Å | ||
| 774 | H | 97.8 | Very high | 96.6 | Very high | 48 Ų | 48 | 18.5 Ų | 18.5 | 22% | 0.222 | 10% | 0.095 | C | C | . | . | trans | -76.6 | 148.5 | 171 | -163.7 | -85.5 | 0 | 0 | 0 | 111.2 | M569 L573 C772 L776 E777 | M569-H774 PolarHBondContact O-CE1 2.88Å; M569-H774 PolarHBondContact O-NE2 2.91Å; M569-H774 VanDerWaalsContact O-NE2 3.13Å; L573-H774 HydrophobicContact CD1-CB 4.06Å; L573-H774 VanDerWaalsContact CD1-CG 3.46Å; L573-H774 WeakPolarHBondContact CD1-ND1 3.45Å; C772-H774 PolarHBondContact O-N 2.81Å; H774-L776 VanDerWaalsContact C-N 3.28Å; H774-L776 PolarHBondContact ND1-N 3.45Å; H774-L776 PolarHBondContact O-N 2.85Å; H774-E777 HydrophobicContact CB-CG 4.14Å; H774-E777 PolarHBondContact N-OE1 3Å; H774-E777 WeakPolarHBondContact O-CB 2.93Å; H774-E777 PolarHBondContact O-N 2.84Å | ||
| 775 | E | 97.3 | Very high | 96.5 | Very high | 15 Ų | 15 | 19.1 Ų | 19.1 | 7% | 0.07 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | -177.6 | -65.9 | 178.3 | -155.6 | 0 | 0 | 112 | M517 E777 L778 R944 R947 | M517-E775 WeakPolarHBondContact CE-OE2 3.46Å; E775-E777 PolarHBondContact O-N 3.32Å; E775-L778 VanDerWaalsContact O-CB 3.32Å; E775-L778 WeakPolarHBondContact O-CB 3.45Å; E775-L778 PolarHBondContact O-N 2.99Å; E775-L778 VanDerWaalsContact O-N 3.11Å; E775-R944 WeakPolarHBondContact OE1-CB 3.36Å; E775-R944 VanDerWaalsContact OE1-CG 3.3Å; E775-R944 WeakPolarHBondContact OE1-CG 3.48Å; E775-R944 IonicContact OE1-CZ 3.63Å; E775-R944 IonicContact OE1-NE 3.7Å; E775-R944 PolarHBondContact OE1-NE 2.97Å; E775-R944 IonicContact OE1-NH2 2.8Å; E775-R944 IonicContact OE2-CZ 3.26Å; E775-R944 VanDerWaalsContact OE2-CZ 3.26Å; E775-R944 IonicContact OE2-NE 3.92Å; E775-R944 PolarHBondContact OE2-NE 2.92Å; E775-R944 VanDerWaalsContact OE2-NE 3.07Å; E775-R944 IonicContact OE2-NH2 3.87Å; E775-R944 PolarHBondContact OE2-NH2 3.17Å; E775-R947 VanDerWaalsContact CG-NH2 3.26Å; E775-R947 IonicContact OE1-NH2 2.85Å; E775-R947 PolarHBondContact OE1-NH2 3.2Å |
| 776 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -23.2 | 175.4 | -61.1 | 177.1 | 0 | 0 | 0 | 113.6 | M517 M569 Y570 L573 H774 L778 I779 Y780 | M517-L776 HydrophobicContact CG-CD2 4.32Å; M569-L776 HydrophobicContact CG-CD1 4.5Å; M569-L776 HydrophobicContact CG-CD2 4.42Å; M569-L776 HydrophobicContact SD-CD2 4.46Å; Y570-L776 HydrophobicContact CD1-CD1 3.92Å; Y570-L776 HydrophobicContact CD2-CD1 4.32Å; Y570-L776 HydrophobicContact CE1-CD1 3.86Å; Y570-L776 HydrophobicContact CE2-CD1 4.26Å; Y570-L776 HydrophobicContact CG-CD1 4.15Å; L573-L776 HydrophobicContact CD1-CD1 4.25Å; H774-L776 VanDerWaalsContact C-N 3.28Å; H774-L776 PolarHBondContact ND1-N 3.45Å; H774-L776 PolarHBondContact O-N 2.85Å; L776-L778 PolarHBondContact O-N 3.5Å; L776-I779 HydrophobicContact CD2-CG1 4.42Å; L776-I779 WeakPolarHBondContact O-CB 3.36Å; L776-I779 PolarHBondContact O-N 3.3Å; L776-I779 VanDerWaalsContact O-N 3.08Å; L776-Y780 HydrophobicContact CB-CE1 4.32Å; L776-Y780 HydrophobicContact CB-CE2 3.82Å; L776-Y780 VanDerWaalsContact O-CD2 3.27Å; L776-Y780 WeakPolarHBondContact O-CD2 3.42Å; L776-Y780 PolarHBondContact O-N 3.19Å |
| 777 | E | 98.3 | Very high | 96 | Very high | 8 Ų | 8 | 27.6 Ų | 27.6 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.9 | -33.4 | 174.5 | -68.5 | -179.1 | -119.9 | 0 | 0 | 111.6 | V773 H774 E775 I779 H781 T792 N794 L795 | V773-E777 HydrophobicContact CG1-CB 4.34Å; H774-E777 HydrophobicContact CB-CG 4.14Å; H774-E777 PolarHBondContact N-OE1 3Å; H774-E777 WeakPolarHBondContact O-CB 2.93Å; H774-E777 PolarHBondContact O-N 2.84Å; E775-E777 PolarHBondContact O-N 3.32Å; E777-I779 VanDerWaalsContact C-N 3.29Å; E777-I779 PolarHBondContact O-N 2.67Å; E777-H781 WeakPolarHBondContact O-CB 3.37Å; E777-H781 PolarHBondContact O-N 2.74Å; E777-T792 HydrophobicContact CB-CG2 4.05Å; E777-T792 HydrophobicContact CG-CG2 4.41Å; E777-T792 WeakPolarHBondContact O-CG2 3.45Å; E777-T792 WeakPolarHBondContact OE2-CA 3.46Å; E777-N794 WeakPolarHBondContact OE1-CB 3.46Å; E777-N794 PolarHBondContact OE1-ND2 3.4Å; E777-N794 WeakPolarHBondContact OE2-CB 3.36Å; E777-N794 PolarHBondContact OE2-N 3.35Å; E777-N794 VanDerWaalsContact OE2-N 3.14Å; E777-L795 HydrophobicContact CB-CB 4.21Å; E777-L795 PolarHBondContact OE2-N 2.88Å |
| 778 | L | 98.2 | Very high | 95.9 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.6 | -37.3 | 174.3 | -58.7 | 167.1 | 0 | 0 | 0 | 110.9 | E775 L776 T782 L795 M906 L909 I910 M913 A940 V943 | E775-L778 VanDerWaalsContact O-CB 3.32Å; E775-L778 WeakPolarHBondContact O-CB 3.45Å; E775-L778 PolarHBondContact O-N 2.99Å; E775-L778 VanDerWaalsContact O-N 3.11Å; L776-L778 PolarHBondContact O-N 3.5Å; L778-T782 WeakPolarHBondContact O-CB 3.26Å; L778-T782 PolarHBondContact O-N 2.97Å; L778-T782 VanDerWaalsContact O-N 3.08Å; L778-T782 PolarHBondContact O-OG1 3.43Å; L778-L795 HydrophobicContact CD2-CD1 3.85Å; L778-L795 HydrophobicContact CD2-CD2 4.03Å; L778-M906 HydrophobicContact CD2-CE 4.22Å; L778-L909 HydrophobicContact CD2-CD2 4.43Å; L778-I910 HydrophobicContact CD2-CD1 3.78Å; L778-M913 HydrophobicContact CB-CE 3.75Å; L778-M913 HydrophobicContact CB-SD 3.88Å; L778-M913 HydrophobicContact CD2-SD 4.46Å; L778-A940 HydrophobicContact CD1-CB 4.22Å; L778-V943 HydrophobicContact CD1-CB 4.23Å; L778-V943 HydrophobicContact CD1-CG1 4.43Å; L778-V943 HydrophobicContact CD1-CG2 3.86Å |
| 779 | I | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -70.1 | -50.7 | 178.3 | -49.1 | -52.5 | 0 | 0 | 0 | 110.3 | M517 M518 V521 L776 E777 H781 T782 F783 M913 I936 A940 | M517-I779 HydrophobicContact CG-CD1 4.4Å; M517-I779 HydrophobicContact CG-CG1 4.3Å; M517-I779 HydrophobicContact SD-CD1 4.41Å; M518-I779 HydrophobicContact CE-CD1 4.26Å; M518-I779 HydrophobicContact CE-CG2 4.12Å; M518-I779 HydrophobicContact SD-CD1 3.6Å; M518-I779 HydrophobicContact SD-CG1 4.24Å; M518-I779 HydrophobicContact SD-CG2 4.36Å; V521-I779 HydrophobicContact CG2-CG2 3.9Å; L776-I779 HydrophobicContact CD2-CG1 4.42Å; L776-I779 WeakPolarHBondContact O-CB 3.36Å; L776-I779 PolarHBondContact O-N 3.3Å; L776-I779 VanDerWaalsContact O-N 3.08Å; E777-I779 VanDerWaalsContact C-N 3.29Å; E777-I779 PolarHBondContact O-N 2.67Å; I779-H781 VanDerWaalsContact C-N 3.29Å; I779-H781 PolarHBondContact O-N 3.23Å; I779-T782 PolarHBondContact O-N 2.93Å; I779-T782 VanDerWaalsContact O-N 3.13Å; I779-F783 HydrophobicContact CG2-CD2 4.05Å; I779-F783 HydrophobicContact CG2-CE2 4.41Å; I779-F783 PolarHBondContact O-N 2.79Å; I779-M913 HydrophobicContact CD1-CE 4.03Å; I779-I936 HydrophobicContact CD1-CG2 3.75Å; I779-A940 HydrophobicContact CD1-CB 4.44Å |
| 780 | Y | 97.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.3 | -38 | 178.8 | -54.7 | -29.7 | 0 | 0 | 0 | 112.2 | L776 G784 R785 F788 K790 | L776-Y780 HydrophobicContact CB-CE1 4.32Å; L776-Y780 HydrophobicContact CB-CE2 3.82Å; L776-Y780 VanDerWaalsContact O-CD2 3.27Å; L776-Y780 WeakPolarHBondContact O-CD2 3.42Å; L776-Y780 PolarHBondContact O-N 3.19Å; Y780-G784 CarbonylContact O-C 3.47Å; Y780-G784 WeakPolarHBondContact O-CA 3.3Å; Y780-G784 PolarHBondContact O-N 3.16Å; Y780-R785 PolarHBondContact O-N 2.86Å; Y780-F788 HydrophobicContact CD1-CB 3.93Å; Y780-F788 AromaticContact CD1-CD1 3.73Å; Y780-F788 HydrophobicContact CD1-CD1 3.73Å; Y780-F788 AromaticContact CD1-CD2 3.68Å; Y780-F788 HydrophobicContact CD1-CD2 3.68Å; Y780-F788 HydrophobicContact CD1-CE1 4.14Å; Y780-F788 HydrophobicContact CD1-CE2 4.12Å; Y780-F788 AromaticContact CD1-CG 3.48Å; Y780-F788 HydrophobicContact CD1-CG 3.48Å; Y780-F788 VanDerWaalsContact CD1-CG 3.48Å; Y780-F788 HydrophobicContact CD1-CZ 4.33Å; Y780-F788 HydrophobicContact CE1-CB 4.26Å; Y780-F788 AromaticContact CE1-CD1 3.87Å; Y780-F788 HydrophobicContact CE1-CD1 3.87Å; Y780-F788 HydrophobicContact CE1-CE1 4.39Å; Y780-F788 AromaticContact CE1-CG 3.98Å; Y780-F788 HydrophobicContact CE1-CG 3.98Å; Y780-F788 HydrophobicContact CG-CB 4.41Å; Y780-F788 HydrophobicContact CG-CD2 4.22Å; Y780-F788 HydrophobicContact CG-CG 4.25Å; Y780-K790 HydrophobicContact CD2-CB 3.76Å; Y780-K790 HydrophobicContact CD2-CG 4.48Å; Y780-K790 HydrophobicContact CE2-CB 3.73Å; Y780-K790 HydrophobicContact CE2-CG 4.03Å; Y780-K790 HydrophobicContact CG-CB 4.38Å |
| 781 | H | 96.6 | Very high | 95.5 | Very high | 47 Ų | 47 | 38 Ų | 38 | 22% | 0.218 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -47.6 | 174.2 | -179.9 | -78 | 0 | 0 | 0 | 111.2 | E777 I779 G784 R785 T792 L795 | E777-H781 WeakPolarHBondContact O-CB 3.37Å; E777-H781 PolarHBondContact O-N 2.74Å; I779-H781 VanDerWaalsContact C-N 3.29Å; I779-H781 PolarHBondContact O-N 3.23Å; H781-G784 PolarHBondContact O-N 2.81Å; H781-R785 PolarHBondContact CD2-NH1 3.5Å; H781-T792 HydrophobicContact CB-CG2 4.29Å; H781-L795 HydrophobicContact CB-CD2 3.58Å |
| 782 | T | 95.5 | Very high | 95.5 | Very high | 12 Ų | 12 | 34 Ų | 34 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.7 | -41.3 | -175.4 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | L778 I779 M913 H917 I936 | L778-T782 WeakPolarHBondContact O-CB 3.26Å; L778-T782 PolarHBondContact O-N 2.97Å; L778-T782 VanDerWaalsContact O-N 3.08Å; L778-T782 PolarHBondContact O-OG1 3.43Å; I779-T782 PolarHBondContact O-N 2.93Å; I779-T782 VanDerWaalsContact O-N 3.13Å; T782-M913 HydrophobicContact CG2-CB 4Å; T782-M913 WeakPolarHBondContact OG1-CB 3.47Å; T782-M913 WeakPolarHBondContact OG1-CE 3.4Å; T782-H917 HydrophobicContact CG2-CB 3.62Å; T782-I936 HydrophobicContact CG2-CD1 4.3Å |
| 783 | F | 95.6 | Very high | 95.4 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 8% | 0.083 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -93.9 | 2.7 | -178.3 | -74.3 | -96.4 | 0 | 0 | 0 | 113.5 | M518 V521 I779 N787 F788 H917 M933 I936 | M518-F783 HydrophobicContact CE-CE2 3.85Å; M518-F783 HydrophobicContact CE-CZ 4.19Å; V521-F783 HydrophobicContact CB-CE1 4.45Å; V521-F783 HydrophobicContact CG1-CD1 3.64Å; V521-F783 HydrophobicContact CG1-CE1 3.39Å; V521-F783 HydrophobicContact CG1-CG 4.37Å; V521-F783 HydrophobicContact CG1-CZ 3.94Å; V521-F783 HydrophobicContact CG2-CD1 4.14Å; V521-F783 HydrophobicContact CG2-CD2 3.95Å; V521-F783 HydrophobicContact CG2-CE1 4.15Å; V521-F783 HydrophobicContact CG2-CE2 3.96Å; V521-F783 HydrophobicContact CG2-CG 4.04Å; V521-F783 HydrophobicContact CG2-CZ 4.05Å; I779-F783 HydrophobicContact CG2-CD2 4.05Å; I779-F783 HydrophobicContact CG2-CE2 4.41Å; I779-F783 PolarHBondContact O-N 2.79Å; F783-N787 PolarHBondContact O-ND2 3.15Å; F783-F788 HydrophobicContact CB-CE2 3.64Å; F783-F788 HydrophobicContact CB-CZ 3.73Å; F783-H917 AromaticContact CD1-CE1 3.3Å; F783-H917 WeakPolarHBondContact CD1-CE1 3.43Å; F783-H917 AromaticContact CD1-ND1 3.4Å; F783-H917 WeakPolarHBondContact CD1-ND1 3.38Å; F783-H917 AromaticContact CE1-CE1 3.5Å; F783-H917 AromaticContact CE1-ND1 3.22Å; F783-H917 WeakPolarHBondContact CE1-ND1 3.49Å; F783-H917 AromaticContact CG-CE1 4Å; F783-H917 AromaticContact CG-ND1 3.93Å; F783-H917 AromaticContact CZ-ND1 3.64Å; F783-M933 HydrophobicContact CZ-CE 4.43Å; F783-M933 HydrophobicContact CZ-SD 4.43Å; F783-I936 HydrophobicContact CE2-CG1 4.35Å; F783-I936 HydrophobicContact CE2-CG2 4.27Å; F783-I936 HydrophobicContact CZ-CG1 4.48Å |
| 784 | G | 91.8 | Very high | 95.3 | Very high | 18 Ų | 18 | 33.7 Ų | 33.7 | 19% | 0.186 | 16% | 0.161 | C | C | . | . | trans | 89.3 | 114 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y780 H781 H786 N787 F788 | Y780-G784 CarbonylContact O-C 3.47Å; Y780-G784 WeakPolarHBondContact O-CA 3.3Å; Y780-G784 PolarHBondContact O-N 3.16Å; H781-G784 PolarHBondContact O-N 2.81Å; G784-H786 PolarHBondContact O-N 2.86Å; G784-H786 VanDerWaalsContact O-N 3.13Å; G784-N787 WeakPolarHBondContact O-CB 3.28Å; G784-N787 PolarHBondContact O-N 2.89Å; G784-F788 WeakPolarHBondContact O-CD2 3.49Å | ||
| 785 | R | 92.1 | Very high | 95.3 | Very high | 53 Ų | 53 | 31.4 Ų | 31.4 | 20% | 0.2 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -52.5 | -37.3 | -177.6 | -67.5 | 174.7 | -94.1 | -112.8 | 6.4 | 114.7 | V710 Y780 H781 N787 F788 K789 T792 D796 | V710-R785 HydrophobicContact CG2-CB 4.06Å; Y780-R785 PolarHBondContact O-N 2.86Å; H781-R785 PolarHBondContact CD2-NH1 3.5Å; R785-N787 PolarHBondContact O-N 2.9Å; R785-F788 PolarHBondContact O-N 3.37Å; R785-F788 VanDerWaalsContact O-N 3.14Å; R785-K789 PolarHBondContact O-N 3.2Å; R785-T792 WeakPolarHBondContact CD-OG1 3.32Å; R785-T792 HydrophobicContact CG-CG2 3.77Å; R785-T792 PolarHBondContact NH1-OG1 3.1Å; R785-D796 IonicContact CZ-OD1 2.84Å; R785-D796 IonicContact NH1-OD1 3.5Å; R785-D796 PolarHBondContact NH1-OD1 3.14Å; R785-D796 IonicContact NH1-OD2 3.35Å; R785-D796 IonicContact NH2-OD1 2.64Å |
| 786 | H | 88.9 | Confident | 95.2 | Very high | 99 Ų | 99 | 31.3 Ų | 31.3 | 46% | 0.458 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -61.8 | -28 | -179 | 59.4 | -89 | 0 | 0 | 0 | 112.9 | G784 F788 | G784-H786 PolarHBondContact O-N 2.86Å; G784-H786 VanDerWaalsContact O-N 3.13Å; H786-F788 VanDerWaalsContact C-N 3.3Å; H786-F788 PolarHBondContact O-N 3.04Å |
| 787 | N | 92.8 | Very high | 95.1 | Very high | 107 Ų | 107 | 32.4 Ų | 32.4 | 57% | 0.572 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -70.2 | -28.5 | 178.5 | -66.5 | -35.3 | 0 | 0 | 0 | 112.4 | F783 G784 R785 | F783-N787 PolarHBondContact O-ND2 3.15Å; G784-N787 WeakPolarHBondContact O-CB 3.28Å; G784-N787 PolarHBondContact O-N 2.89Å; R785-N787 PolarHBondContact O-N 2.9Å |
| 788 | F | 94.8 | Very high | 95 | Very high | 38 Ų | 38 | 32 Ų | 32 | 17% | 0.167 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -102.3 | -18.5 | -177.7 | -53.6 | -84 | 0 | 0 | 0 | 113 | C520 V521 Y780 F783 G784 R785 H786 K790 | C520-F788 HydrophobicContact CB-CD1 4.36Å; C520-F788 HydrophobicContact CB-CE1 4.09Å; C520-F788 WeakPolarHBondContact O-CE1 3.49Å; V521-F788 HydrophobicContact CG2-CZ 4.35Å; Y780-F788 HydrophobicContact CD1-CB 3.93Å; Y780-F788 AromaticContact CD1-CD1 3.73Å; Y780-F788 HydrophobicContact CD1-CD1 3.73Å; Y780-F788 AromaticContact CD1-CD2 3.68Å; Y780-F788 HydrophobicContact CD1-CD2 3.68Å; Y780-F788 HydrophobicContact CD1-CE1 4.14Å; Y780-F788 HydrophobicContact CD1-CE2 4.12Å; Y780-F788 AromaticContact CD1-CG 3.48Å; Y780-F788 HydrophobicContact CD1-CG 3.48Å; Y780-F788 VanDerWaalsContact CD1-CG 3.48Å; Y780-F788 HydrophobicContact CD1-CZ 4.33Å; Y780-F788 HydrophobicContact CE1-CB 4.26Å; Y780-F788 AromaticContact CE1-CD1 3.87Å; Y780-F788 HydrophobicContact CE1-CD1 3.87Å; Y780-F788 HydrophobicContact CE1-CE1 4.39Å; Y780-F788 AromaticContact CE1-CG 3.98Å; Y780-F788 HydrophobicContact CE1-CG 3.98Å; Y780-F788 HydrophobicContact CG-CB 4.41Å; Y780-F788 HydrophobicContact CG-CD2 4.22Å; Y780-F788 HydrophobicContact CG-CG 4.25Å; F783-F788 HydrophobicContact CB-CE2 3.64Å; F783-F788 HydrophobicContact CB-CZ 3.73Å; G784-F788 WeakPolarHBondContact O-CD2 3.49Å; R785-F788 PolarHBondContact O-N 3.37Å; R785-F788 VanDerWaalsContact O-N 3.14Å; H786-F788 VanDerWaalsContact C-N 3.3Å; H786-F788 PolarHBondContact O-N 3.04Å; F788-K790 HydrophobicContact CB-CB 4.29Å; F788-K790 HydrophobicContact CB-CG 4.13Å; F788-K790 PolarHBondContact O-N 3.48Å |
| 789 | K | 93.4 | Very high | 94.9 | Very high | 162 Ų | 162 | 33.6 Ų | 33.6 | 70% | 0.704 | 16% | 0.162 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 33.5 | -169.7 | -55.7 | 179.2 | -179.7 | 177.6 | 0 | 112.6 | R785 | R785-K789 PolarHBondContact O-N 3.2Š|
| 790 | K | 93.5 | Very high | 94.8 | Very high | 46 Ų | 46 | 36.2 Ų | 36.2 | 20% | 0.2 | 17% | 0.172 | C | C | . | . | trans | -113.4 | 152.3 | 175.8 | -60.1 | -62.2 | 178.8 | 169.2 | 0 | 110 | E576 Y780 F788 | E576-K790 VanDerWaalsContact C-NZ 3.26Å; E576-K790 PolarHBondContact O-NZ 3Å; Y780-K790 HydrophobicContact CD2-CB 3.76Å; Y780-K790 HydrophobicContact CD2-CG 4.48Å; Y780-K790 HydrophobicContact CE2-CB 3.73Å; Y780-K790 HydrophobicContact CE2-CG 4.03Å; Y780-K790 HydrophobicContact CG-CB 4.38Å; F788-K790 HydrophobicContact CB-CB 4.29Å; F788-K790 HydrophobicContact CB-CG 4.13Å; F788-K790 PolarHBondContact O-N 3.48Å | ||
| 791 | T | 94.1 | Very high | 94.8 | Very high | 15 Ų | 15 | 35.9 Ų | 35.9 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | trans | -80.6 | 156.9 | 176 | -174.6 | 0 | 0 | 0 | 0 | 111.6 | V670 S711 A793 | V670-T791 HydrophobicContact CG1-CG2 4.5Å; S711-T791 WeakPolarHBondContact OG-CB 3.24Å; S711-T791 PolarHBondContact OG-OG1 3.31Å; T791-A793 VanDerWaalsContact OG1-CB 3.31Å; T791-A793 WeakPolarHBondContact OG1-CB 3.38Å; T791-A793 PolarHBondContact OG1-N 3.46Å | ||
| 792 | T | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -128.6 | 35.4 | 163.8 | 68.4 | 0 | 0 | 0 | 0 | 110.2 | E777 H781 R785 N794 L795 D796 | E777-T792 HydrophobicContact CB-CG2 4.05Å; E777-T792 HydrophobicContact CG-CG2 4.41Å; E777-T792 WeakPolarHBondContact O-CG2 3.45Å; E777-T792 WeakPolarHBondContact OE2-CA 3.46Å; H781-T792 HydrophobicContact CB-CG2 4.29Å; R785-T792 WeakPolarHBondContact CD-OG1 3.32Å; R785-T792 HydrophobicContact CG-CG2 3.77Å; R785-T792 PolarHBondContact NH1-OG1 3.1Å; T792-N794 PolarHBondContact O-N 2.93Å; T792-L795 PolarHBondContact O-N 3.32Å; T792-L795 VanDerWaalsContact O-N 3.15Å; T792-D796 VanDerWaalsContact O-CG 3.27Å; T792-D796 PolarHBondContact O-N 3.37Å; T792-D796 PolarHBondContact OG1-OD1 2.75Å | ||
| 793 | A | 94.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.9 | -37.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | I646 V670 T714 T791 D796 L797 | I646-A793 HydrophobicContact CB-CB 4.19Å; I646-A793 HydrophobicContact CD1-CB 4.24Å; I646-A793 HydrophobicContact CG2-CB 3.94Å; V670-A793 HydrophobicContact CG1-CB 4.02Å; T714-A793 HydrophobicContact CG2-CB 3.78Å; T791-A793 VanDerWaalsContact OG1-CB 3.31Å; T791-A793 WeakPolarHBondContact OG1-CB 3.38Å; T791-A793 PolarHBondContact OG1-N 3.46Å; A793-D796 PolarHBondContact O-N 3.1Å; A793-L797 WeakPolarHBondContact O-CB 3.29Å; A793-L797 WeakPolarHBondContact O-CG 3.32Å; A793-L797 PolarHBondContact O-N 3.46Å; A793-L797 VanDerWaalsContact O-N 3.08Å |
| 794 | N | 96.4 | Very high | 94.9 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.053 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -70.5 | -43.9 | -179 | -52.9 | -66.4 | 0 | 0 | 0 | 110.5 | I646 C772 V773 E777 T792 L797 F798 | I646-N794 WeakPolarHBondContact CB-OD1 3.24Å; I646-N794 PolarHBondContact N-OD1 3.11Å; I646-N794 PolarHBondContact O-ND2 3.34Å; C772-N794 HydrophobicContact CB-CB 4.06Å; C772-N794 WeakPolarHBondContact O-CB 3.41Å; C772-N794 VanDerWaalsContact O-CG 3.26Å; C772-N794 PolarHBondContact O-ND2 2.78Å; V773-N794 HydrophobicContact CG2-CB 4.22Å; E777-N794 WeakPolarHBondContact OE1-CB 3.46Å; E777-N794 PolarHBondContact OE1-ND2 3.4Å; E777-N794 WeakPolarHBondContact OE2-CB 3.36Å; E777-N794 PolarHBondContact OE2-N 3.35Å; E777-N794 VanDerWaalsContact OE2-N 3.14Å; T792-N794 PolarHBondContact O-N 2.93Å; N794-L797 PolarHBondContact O-N 3.39Å; N794-F798 WeakPolarHBondContact O-CB 3.31Å; N794-F798 PolarHBondContact O-N 2.8Å |
| 795 | L | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.8 | -46.5 | 174 | 179.5 | 60.8 | 0 | 0 | 0 | 111.5 | V773 E777 L778 H781 T792 L797 F798 L799 M906 I910 | V773-L795 HydrophobicContact CG1-CB 4.03Å; V773-L795 HydrophobicContact CG1-CD1 4.19Å; E777-L795 HydrophobicContact CB-CB 4.21Å; E777-L795 PolarHBondContact OE2-N 2.88Å; L778-L795 HydrophobicContact CD2-CD1 3.85Å; L778-L795 HydrophobicContact CD2-CD2 4.03Å; H781-L795 HydrophobicContact CB-CD2 3.58Å; T792-L795 PolarHBondContact O-N 3.32Å; T792-L795 VanDerWaalsContact O-N 3.15Å; L795-L797 VanDerWaalsContact C-N 3.33Å; L795-L797 PolarHBondContact O-N 3Å; L795-F798 PolarHBondContact O-N 3.26Å; L795-L799 HydrophobicContact CD1-CD1 4.04Å; L795-L799 HydrophobicContact CD1-CD2 4.49Å; L795-L799 HydrophobicContact CD1-CG 4.01Å; L795-L799 HydrophobicContact CG-CD1 3.95Å; L795-L799 HydrophobicContact CG-CG 4.32Å; L795-L799 WeakPolarHBondContact O-CG 3.4Å; L795-L799 PolarHBondContact O-N 3.18Å; L795-M906 HydrophobicContact CD1-CE 4.09Å; L795-I910 HydrophobicContact CD1-CD1 4.23Å; L795-I910 HydrophobicContact CD2-CD1 4.27Å |
| 796 | D | 95.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 33.2 Ų | 33.2 | 7% | 0.07 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -57.3 | -46.9 | -179.7 | -70.7 | -22.7 | 0 | 0 | 0 | 111.7 | T714 R785 T792 A793 F798 L799 R800 | T714-D796 PolarHBondContact OG1-OD2 3.35Å; R785-D796 IonicContact CZ-OD1 2.84Å; R785-D796 IonicContact NH1-OD1 3.5Å; R785-D796 PolarHBondContact NH1-OD1 3.14Å; R785-D796 IonicContact NH1-OD2 3.35Å; R785-D796 IonicContact NH2-OD1 2.64Å; T792-D796 VanDerWaalsContact O-CG 3.27Å; T792-D796 PolarHBondContact O-N 3.37Å; T792-D796 PolarHBondContact OG1-OD1 2.75Å; A793-D796 PolarHBondContact O-N 3.1Å; D796-F798 VanDerWaalsContact C-N 3.34Å; D796-F798 PolarHBondContact O-N 3.4Å; D796-L799 PolarHBondContact O-N 2.76Å; D796-R800 VanDerWaalsContact O-CB 3.26Å; D796-R800 WeakPolarHBondContact O-CB 3.35Å; D796-R800 PolarHBondContact O-N 3.19Å |
| 797 | L | 94.3 | Very high | 96 | Very high | 23 Ų | 23 | 29.6 Ų | 29.6 | 12% | 0.12 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.2 | -36 | 179.4 | -67.9 | 173.6 | 0 | 0 | 0 | 112.1 | I646 T714 A793 N794 L795 R800 R801 | I646-L797 HydrophobicContact CD1-CD1 3.42Å; I646-L797 VanDerWaalsContact CD1-CD1 3.42Å; T714-L797 HydrophobicContact CG2-CD1 4.29Å; T714-L797 HydrophobicContact CG2-CD2 4.15Å; T714-L797 HydrophobicContact CG2-CG 4.05Å; A793-L797 WeakPolarHBondContact O-CB 3.29Å; A793-L797 WeakPolarHBondContact O-CG 3.32Å; A793-L797 PolarHBondContact O-N 3.46Å; A793-L797 VanDerWaalsContact O-N 3.08Å; N794-L797 PolarHBondContact O-N 3.39Å; L795-L797 VanDerWaalsContact C-N 3.33Å; L795-L797 PolarHBondContact O-N 3Å; L797-R800 PolarHBondContact O-N 3.1Å; L797-R801 WeakPolarHBondContact O-CB 3.26Å; L797-R801 PolarHBondContact O-N 3.38Å |
| 798 | F | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.6 | -36.7 | 177.2 | -172.1 | -134.3 | 0 | 0 | 0 | 112.6 | D766 L769 F770 V773 N794 L795 D796 R801 F802 I903 M906 | D766-F798 HydrophobicContact CB-CE2 4.22Å; L769-F798 HydrophobicContact CB-CB 4.37Å; L769-F798 HydrophobicContact CB-CD2 3.64Å; L769-F798 HydrophobicContact CB-CE2 4.34Å; L769-F798 HydrophobicContact CB-CG 4.29Å; L769-F798 HydrophobicContact CD1-CD2 4.37Å; F770-F798 HydrophobicContact CB-CD1 4.39Å; F770-F798 HydrophobicContact CB-CE1 3.79Å; F770-F798 HydrophobicContact CB-CE2 4.18Å; F770-F798 HydrophobicContact CB-CZ 3.72Å; F770-F798 AromaticContact CD2-CD1 3.98Å; F770-F798 HydrophobicContact CD2-CD1 3.98Å; F770-F798 AromaticContact CD2-CE1 3.34Å; F770-F798 HydrophobicContact CD2-CE1 3.34Å; F770-F798 HydrophobicContact CD2-CZ 4.04Å; F770-F798 HydrophobicContact CE2-CE1 4.15Å; F770-F798 AromaticContact CG-CE1 3.84Å; F770-F798 HydrophobicContact CG-CE1 3.84Å; F770-F798 HydrophobicContact CG-CZ 4.07Å; V773-F798 HydrophobicContact CG2-CB 4.19Å; V773-F798 HydrophobicContact CG2-CD1 4.32Å; N794-F798 WeakPolarHBondContact O-CB 3.31Å; N794-F798 PolarHBondContact O-N 2.8Å; L795-F798 PolarHBondContact O-N 3.26Å; D796-F798 VanDerWaalsContact C-N 3.34Å; D796-F798 PolarHBondContact O-N 3.4Å; F798-R801 WeakPolarHBondContact O-CB 3.43Å; F798-R801 PolarHBondContact O-N 2.89Å; F798-F802 PolarHBondContact O-N 3.41Å; F798-I903 HydrophobicContact CE1-CG2 4.42Å; F798-I903 HydrophobicContact CZ-CG2 3.66Å; F798-M906 HydrophobicContact CD1-CE 4.37Å; F798-M906 HydrophobicContact CD1-CG 3.92Å; F798-M906 HydrophobicContact CE1-CB 4.47Å; F798-M906 HydrophobicContact CE1-CE 4.4Å; F798-M906 HydrophobicContact CE1-CG 3.32Å; F798-M906 HydrophobicContact CE1-SD 4.04Å; F798-M906 HydrophobicContact CZ-CG 4.1Å |
| 799 | L | 95.8 | Very high | 96.5 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 17% | 0.173 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.7 | -39.9 | 171 | -66.5 | 175.9 | 0 | 0 | 0 | 111.4 | L795 D796 R801 F802 M906 I910 | L795-L799 HydrophobicContact CD1-CD1 4.04Å; L795-L799 HydrophobicContact CD1-CD2 4.49Å; L795-L799 HydrophobicContact CD1-CG 4.01Å; L795-L799 HydrophobicContact CG-CD1 3.95Å; L795-L799 HydrophobicContact CG-CG 4.32Å; L795-L799 WeakPolarHBondContact O-CG 3.4Å; L795-L799 PolarHBondContact O-N 3.18Å; D796-L799 PolarHBondContact O-N 2.76Å; L799-R801 VanDerWaalsContact C-N 3.29Å; L799-R801 PolarHBondContact O-N 3.03Å; L799-F802 VanDerWaalsContact O-CB 3.31Å; L799-F802 WeakPolarHBondContact O-CB 3.31Å; L799-F802 PolarHBondContact O-N 3.42Å; L799-M906 HydrophobicContact CD2-CB 3.99Å; L799-I910 HydrophobicContact CD1-CG1 4.14Å; L799-I910 HydrophobicContact CD2-CG1 3.94Å |
| 800 | R | 95.3 | Very high | 96.7 | Very high | 55 Ų | 55 | 15.2 Ų | 15.2 | 21% | 0.208 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.9 | -35.5 | 174.4 | -178 | 174.8 | 171.9 | 172.3 | -0.3 | 112.3 | T717 I718 D796 L797 F802 N803 E804 | T717-R800 VanDerWaalsContact O-CZ 3.25Å; T717-R800 PolarHBondContact O-NH2 2.96Å; T717-R800 VanDerWaalsContact O-NH2 3.14Å; I718-R800 HydrophobicContact CG1-CG 4.16Å; I718-R800 PolarHBondContact O-NH2 2.93Å; D796-R800 VanDerWaalsContact O-CB 3.26Å; D796-R800 WeakPolarHBondContact O-CB 3.35Å; D796-R800 PolarHBondContact O-N 3.19Å; L797-R800 PolarHBondContact O-N 3.1Å; R800-F802 VanDerWaalsContact C-N 3.26Å; R800-F802 PolarHBondContact O-N 2.9Å; R800-N803 PolarHBondContact O-N 3.03Å; R800-N803 VanDerWaalsContact O-N 3.16Å; R800-E804 PolarHBondContact O-N 3.34Å |
| 801 | R | 97.4 | Very high | 97 | Very high | 4 Ų | 4 | 13 Ų | 13 | 2% | 0.015 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -58.2 | -36.4 | 174.6 | 175.3 | 59.3 | 176.5 | 178 | 4.5 | 112.3 | D766 L769 L797 F798 L799 E804 I805 V969 | D766-R801 IonicContact OD1-NE 2.93Å; D766-R801 PolarHBondContact OD1-NE 2.91Å; D766-R801 VanDerWaalsContact OD1-NE 3.16Å; L769-R801 HydrophobicContact CD1-CB 3.96Å; L769-R801 HydrophobicContact CD1-CG 3.82Å; L797-R801 WeakPolarHBondContact O-CB 3.26Å; L797-R801 PolarHBondContact O-N 3.38Å; F798-R801 WeakPolarHBondContact O-CB 3.43Å; F798-R801 PolarHBondContact O-N 2.89Å; L799-R801 VanDerWaalsContact C-N 3.29Å; L799-R801 PolarHBondContact O-N 3.03Å; R801-E804 WeakPolarHBondContact CD-OE2 3.48Å; R801-E804 IonicContact CZ-OE2 3.78Å; R801-E804 IonicContact NE-OE2 3.52Å; R801-E804 IonicContact NH1-OE2 3.56Å; R801-E804 PolarHBondContact NH1-OE2 3.26Å; R801-E804 PolarHBondContact O-N 3.2Å; R801-I805 HydrophobicContact CG-CD1 4.17Å; R801-I805 WeakPolarHBondContact O-CG1 3.22Å; R801-I805 PolarHBondContact O-N 3.17Å; R801-V969 PolarHBondContact NH1-O 3.07Å; R801-V969 PolarHBondContact NH2-O 2.69Å |
| 802 | F | 98.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 12.4 Ų | 12.4 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -58.5 | -51 | 174.1 | -177.2 | -85.8 | 0 | 0 | 0 | 111.3 | F798 L799 R800 E804 I805 Q806 N843 F846 A847 M850 F905 P907 | F798-F802 PolarHBondContact O-N 3.41Å; L799-F802 VanDerWaalsContact O-CB 3.31Å; L799-F802 WeakPolarHBondContact O-CB 3.31Å; L799-F802 PolarHBondContact O-N 3.42Å; R800-F802 VanDerWaalsContact C-N 3.26Å; R800-F802 PolarHBondContact O-N 2.9Å; F802-E804 VanDerWaalsContact C-N 3.34Å; F802-E804 PolarHBondContact O-N 2.86Å; F802-I805 PolarHBondContact O-N 3.07Å; F802-Q806 PolarHBondContact O-N 3.49Å; F802-N843 WeakPolarHBondContact CD2-O 3.46Å; F802-N843 VanDerWaalsContact CE2-O 3.28Å; F802-N843 WeakPolarHBondContact CE2-O 3.46Å; F802-F846 HydrophobicContact CE2-CB 4.11Å; F802-F846 HydrophobicContact CZ-CB 4.41Å; F802-A847 HydrophobicContact CD2-CB 3.75Å; F802-A847 HydrophobicContact CE1-CB 4.44Å; F802-A847 HydrophobicContact CE2-CB 3.68Å; F802-A847 VanDerWaalsContact CE2-N 3.34Å; F802-A847 HydrophobicContact CG-CB 4.17Å; F802-A847 HydrophobicContact CZ-CB 4.02Å; F802-M850 HydrophobicContact CE1-SD 3.88Å; F802-M850 HydrophobicContact CZ-CG 4.49Å; F802-M850 HydrophobicContact CZ-SD 3.56Å; F802-M850 VanDerWaalsContact CZ-SD 3.56Å; F802-F905 AromaticContact CE2-CD2 3.9Å; F802-F905 HydrophobicContact CE2-CD2 3.9Å; F802-F905 AromaticContact CE2-CE2 3.57Å; F802-F905 HydrophobicContact CE2-CE2 3.57Å; F802-F905 HydrophobicContact CZ-CD2 4.4Å; F802-F905 AromaticContact CZ-CE2 3.61Å; F802-F905 HydrophobicContact CZ-CE2 3.61Å; F802-F905 HydrophobicContact CZ-CZ 4.48Å; F802-P907 HydrophobicContact CD1-CG 4Å; F802-P907 HydrophobicContact CD2-CG 3.97Å; F802-P907 HydrophobicContact CE1-CG 4.19Å; F802-P907 HydrophobicContact CE2-CG 4.15Å; F802-P907 HydrophobicContact CG-CG 3.9Å; F802-P907 HydrophobicContact CZ-CG 4.28Å |
| 803 | N | 95.1 | Very high | 97.3 | Very high | 43 Ų | 43 | 12.4 Ų | 12.4 | 23% | 0.23 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -65 | -38 | 178.5 | -66.9 | -31 | 0 | 0 | 0 | 111.6 | I718 R800 I805 Q806 F807 | I718-N803 HydrophobicContact CD1-CB 3.91Å; I718-N803 HydrophobicContact CG1-CB 4.49Å; R800-N803 PolarHBondContact O-N 3.03Å; R800-N803 VanDerWaalsContact O-N 3.16Å; N803-I805 VanDerWaalsContact C-N 3.35Å; N803-I805 PolarHBondContact O-N 3.4Å; N803-Q806 PolarHBondContact O-N 2.86Å; N803-F807 HydrophobicContact CB-CD2 4.43Å; N803-F807 WeakPolarHBondContact O-CB 3.07Å; N803-F807 VanDerWaalsContact O-CD2 3.28Å; N803-F807 WeakPolarHBondContact O-CD2 3.46Å; N803-F807 PolarHBondContact O-N 3.45Å |
| 804 | E | 97.9 | Very high | 97.4 | Very high | 28 Ų | 28 | 12.6 Ų | 12.6 | 13% | 0.131 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 176.7 | -175.2 | -173.5 | -132.9 | 0 | 0 | 111.5 | I718 R800 R801 F802 W808 L972 | I718-E804 HydrophobicContact CD1-CB 4.37Å; I718-E804 HydrophobicContact CG1-CB 4.49Å; R800-E804 PolarHBondContact O-N 3.34Å; R801-E804 WeakPolarHBondContact CD-OE2 3.48Å; R801-E804 IonicContact CZ-OE2 3.78Å; R801-E804 IonicContact NE-OE2 3.52Å; R801-E804 IonicContact NH1-OE2 3.56Å; R801-E804 PolarHBondContact NH1-OE2 3.26Å; R801-E804 PolarHBondContact O-N 3.2Å; F802-E804 VanDerWaalsContact C-N 3.34Å; F802-E804 PolarHBondContact O-N 2.86Å; E804-W808 VanDerWaalsContact O-CB 3.3Å; E804-W808 WeakPolarHBondContact O-CB 3.33Å; E804-W808 PolarHBondContact O-N 3.05Å; E804-L972 HydrophobicContact CG-CB 4.14Å; E804-L972 HydrophobicContact CG-CD1 4.29Å |
| 805 | I | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -66.7 | -42.7 | 177.2 | -65.5 | 167.9 | 0 | 0 | 0 | 111.1 | M762 R801 F802 N803 W808 V809 S844 A847 I848 | M762-I805 HydrophobicContact CE-CB 4.45Å; M762-I805 HydrophobicContact CE-CD1 3.67Å; M762-I805 HydrophobicContact CE-CG1 3.89Å; M762-I805 HydrophobicContact CE-CG2 3.68Å; R801-I805 HydrophobicContact CG-CD1 4.17Å; R801-I805 WeakPolarHBondContact O-CG1 3.22Å; R801-I805 PolarHBondContact O-N 3.17Å; F802-I805 PolarHBondContact O-N 3.07Å; N803-I805 VanDerWaalsContact C-N 3.35Å; N803-I805 PolarHBondContact O-N 3.4Å; I805-W808 HydrophobicContact CG2-CE3 4.37Å; I805-W808 WeakPolarHBondContact O-CB 3.5Å; I805-W808 PolarHBondContact O-N 3.35Å; I805-V809 PolarHBondContact O-N 3.41Å; I805-S844 WeakPolarHBondContact CD1-OG 3.32Å; I805-A847 HydrophobicContact CB-CB 3.81Å; I805-A847 HydrophobicContact CG2-CB 3.64Å; I805-I848 HydrophobicContact CG2-CG1 3.78Å |
| 806 | Q | 98.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 14.3 Ų | 14.3 | 10% | 0.098 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -58.8 | -51.2 | 177.9 | -175.4 | -168.6 | -16.8 | 0 | 0 | 111 | F802 N803 W808 V809 V810 A847 M850 | F802-Q806 PolarHBondContact O-N 3.49Å; N803-Q806 PolarHBondContact O-N 2.86Å; Q806-W808 VanDerWaalsContact C-N 3.32Å; Q806-W808 PolarHBondContact O-N 3.34Å; Q806-V809 PolarHBondContact O-N 2.68Å; Q806-V810 PolarHBondContact O-N 3.19Å; Q806-A847 WeakPolarHBondContact CA-O 3.2Å; Q806-M850 HydrophobicContact CG-CB 4.28Å |
| 807 | F | 98.3 | Very high | 97.6 | Very high | 22 Ų | 22 | 18 Ų | 18 | 10% | 0.096 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -70.7 | -26.7 | -179.6 | -79.9 | -65.2 | 0 | 0 | 0 | 113 | I718 N803 V809 V810 T811 V974 I975 D976 L981 | I718-F807 HydrophobicContact CD1-CB 4.38Å; I718-F807 HydrophobicContact CD1-CD2 3.66Å; I718-F807 HydrophobicContact CD1-CE2 4.46Å; I718-F807 HydrophobicContact CD1-CG 4.42Å; N803-F807 HydrophobicContact CB-CD2 4.43Å; N803-F807 WeakPolarHBondContact O-CB 3.07Å; N803-F807 VanDerWaalsContact O-CD2 3.28Å; N803-F807 WeakPolarHBondContact O-CD2 3.46Å; N803-F807 PolarHBondContact O-N 3.45Å; F807-V809 VanDerWaalsContact C-N 3.34Å; F807-V809 PolarHBondContact O-N 2.86Å; F807-V810 PolarHBondContact O-N 3.22Å; F807-T811 WeakPolarHBondContact O-CB 3.44Å; F807-T811 PolarHBondContact O-N 2.98Å; F807-T811 PolarHBondContact O-OG1 3.31Å; F807-V974 HydrophobicContact CB-CB 4.24Å; F807-V974 HydrophobicContact CB-CG2 4.11Å; F807-I975 WeakPolarHBondContact CD1-O 3.31Å; F807-D976 HydrophobicContact CD2-CB 4.07Å; F807-D976 HydrophobicContact CE2-CB 4.24Å; F807-D976 HydrophobicContact CG-CB 4.26Å; F807-L981 HydrophobicContact CD1-CD1 3.73Å; F807-L981 HydrophobicContact CE1-CD1 3.94Å |
| 808 | W | 98.7 | Very high | 97.7 | Very high | 5 Ų | 5 | 21.7 Ų | 21.7 | 2% | 0.019 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58 | -46 | 170.3 | 167.4 | 56.5 | 0 | 0 | 0 | 111.9 | F750 M762 E804 I805 Q806 V810 T811 E812 F829 I832 Y968 L972 V974 | F750-W808 HydrophobicContact CD2-CZ2 4.14Å; F750-W808 HydrophobicContact CE2-CZ2 4.09Å; F750-W808 HydrophobicContact CZ-CZ2 4.42Å; M762-W808 HydrophobicContact CE-CZ3 4.22Å; M762-W808 HydrophobicContact SD-CZ3 4.14Å; E804-W808 VanDerWaalsContact O-CB 3.3Å; E804-W808 WeakPolarHBondContact O-CB 3.33Å; E804-W808 PolarHBondContact O-N 3.05Å; I805-W808 HydrophobicContact CG2-CE3 4.37Å; I805-W808 WeakPolarHBondContact O-CB 3.5Å; I805-W808 PolarHBondContact O-N 3.35Å; Q806-W808 VanDerWaalsContact C-N 3.32Å; Q806-W808 PolarHBondContact O-N 3.34Å; W808-V810 PolarHBondContact O-N 3.01Å; W808-T811 PolarHBondContact O-N 3.38Å; W808-E812 WeakPolarHBondContact O-CG 3.45Å; W808-E812 PolarHBondContact O-N 2.94Å; W808-F829 HydrophobicContact CD2-CE1 4.12Å; W808-F829 AromaticContact CE2-CE1 3.96Å; W808-F829 AromaticContact CE3-CE1 3.93Å; W808-F829 HydrophobicContact CE3-CE1 3.93Å; W808-F829 HydrophobicContact CH2-CD1 4.22Å; W808-F829 AromaticContact CH2-CE1 3.54Å; W808-F829 HydrophobicContact CH2-CE1 3.54Å; W808-F829 AromaticContact CZ2-CE1 3.67Å; W808-F829 HydrophobicContact CZ2-CE1 3.67Å; W808-F829 HydrophobicContact CZ2-CZ 4.27Å; W808-F829 HydrophobicContact CZ3-CD1 4.19Å; W808-F829 AromaticContact CZ3-CE1 3.66Å; W808-F829 HydrophobicContact CZ3-CE1 3.66Å; W808-I832 HydrophobicContact CH2-CD1 4.18Å; W808-Y968 AromaticContact CZ2-CE1 3.9Å; W808-Y968 HydrophobicContact CZ2-CE1 3.9Å; W808-Y968 AromaticContact NE1-CZ 3.91Å; W808-Y968 PolarHBondContact NE1-OH 2.92Å; W808-L972 HydrophobicContact CB-CD1 4.1Å; W808-L972 HydrophobicContact CD2-CD1 4.28Å; W808-L972 HydrophobicContact CD2-CD2 4.29Å; W808-L972 HydrophobicContact CG-CD1 4.08Å; W808-L972 HydrophobicContact CG-CD2 4.12Å; W808-V974 HydrophobicContact CB-CG1 3.71Å |
| 809 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.4 | -49.7 | 176.7 | 175.2 | 0 | 0 | 0 | 0 | 111.1 | I805 Q806 F807 T811 I813 F829 I848 L852 | I805-V809 PolarHBondContact O-N 3.41Å; Q806-V809 PolarHBondContact O-N 2.68Å; F807-V809 VanDerWaalsContact C-N 3.34Å; F807-V809 PolarHBondContact O-N 2.86Å; V809-T811 PolarHBondContact O-N 3.24Å; V809-I813 HydrophobicContact CG1-CD1 3.86Å; V809-I813 WeakPolarHBondContact O-CG1 3.33Å; V809-I813 PolarHBondContact O-N 2.92Å; V809-F829 HydrophobicContact CB-CE1 4.43Å; V809-F829 HydrophobicContact CB-CZ 4.42Å; V809-F829 HydrophobicContact CG1-CD1 4.48Å; V809-F829 HydrophobicContact CG1-CD2 3.97Å; V809-F829 HydrophobicContact CG1-CE2 4.16Å; V809-F829 HydrophobicContact CG1-CG 4.14Å; V809-F829 HydrophobicContact CG2-CD1 3.78Å; V809-F829 HydrophobicContact CG2-CE1 3.81Å; V809-F829 HydrophobicContact CG2-CG 4.23Å; V809-F829 HydrophobicContact CG2-CZ 4.28Å; V809-I848 HydrophobicContact CG2-CB 4.33Å; V809-I848 HydrophobicContact CG2-CG1 4.21Å; V809-I848 HydrophobicContact CG2-CG2 4.08Å; V809-L852 HydrophobicContact CG1-CD2 3.78Å; V809-L852 HydrophobicContact CG1-CG 4.08Å |
| 810 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.2 | -41.6 | -177.7 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | Q806 F807 W808 I813 C814 G851 N854 A856 V857 L981 | Q806-V810 PolarHBondContact O-N 3.19Å; F807-V810 PolarHBondContact O-N 3.22Å; W808-V810 PolarHBondContact O-N 3.01Å; V810-I813 PolarHBondContact O-N 2.98Å; V810-C814 WeakPolarHBondContact O-CB 3.07Å; V810-C814 PolarHBondContact O-N 3.17Å; V810-C814 PolarHBondContact O-SG 3.43Å; V810-G851 WeakPolarHBondContact CG2-O 3.48Å; V810-N854 HydrophobicContact CG2-CB 3.6Å; V810-A856 HydrophobicContact CG1-CB 4.01Å; V810-V857 HydrophobicContact CB-CG2 4.35Å; V810-V857 HydrophobicContact CG1-CG2 4.03Å; V810-V857 HydrophobicContact CG2-CG2 4.22Å; V810-L981 HydrophobicContact CB-CD1 4.2Å; V810-L981 HydrophobicContact CG1-CB 4.15Å; V810-L981 HydrophobicContact CG1-CD1 3.71Å; V810-L981 HydrophobicContact CG1-CD2 4.04Å; V810-L981 HydrophobicContact CG1-CG 4.18Å |
| 811 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.2 | -53.8 | 178.9 | -62.8 | 0 | 0 | 0 | 0 | 111.1 | P742 F807 W808 V809 I813 C814 L815 I975 | P742-T811 HydrophobicContact CG-CG2 3.88Å; F807-T811 WeakPolarHBondContact O-CB 3.44Å; F807-T811 PolarHBondContact O-N 2.98Å; F807-T811 PolarHBondContact O-OG1 3.31Å; W808-T811 PolarHBondContact O-N 3.38Å; V809-T811 PolarHBondContact O-N 3.24Å; T811-I813 VanDerWaalsContact C-N 3.31Å; T811-I813 PolarHBondContact O-N 2.96Å; T811-C814 PolarHBondContact O-N 3.36Å; T811-L815 HydrophobicContact CG2-CD1 3.66Å; T811-L815 HydrophobicContact CG2-CG 4.4Å; T811-L815 WeakPolarHBondContact O-CB 3.35Å; T811-L815 WeakPolarHBondContact O-CG 3.46Å; T811-L815 PolarHBondContact O-N 3.44Å; T811-I975 HydrophobicContact CG2-CB 4.38Å; T811-I975 HydrophobicContact CG2-CD1 4.1Å; T811-I975 HydrophobicContact CG2-CG1 3.9Å; T811-I975 PolarHBondContact OG1-N 2.72Å; T811-I975 PolarHBondContact OG1-O 3.42Å |
| 812 | E | 98.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 27.7 Ų | 27.7 | 1% | 0.009 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -36 | -177.1 | -71.6 | -61.1 | 147.2 | 0 | 0 | 112.4 | T746 V747 F750 W808 C816 L825 F829 | T746-E812 PolarHBondContact N-OE1 3.38Å; T746-E812 PolarHBondContact N-OE2 3.44Å; T746-E812 VanDerWaalsContact OG1-CD 3.27Å; T746-E812 PolarHBondContact OG1-OE1 3.31Å; V747-E812 WeakPolarHBondContact CG2-OE2 3.47Å; V747-E812 PolarHBondContact N-OE2 3.23Å; F750-E812 HydrophobicContact CE1-CB 4.48Å; F750-E812 HydrophobicContact CE1-CG 3.92Å; F750-E812 HydrophobicContact CZ-CB 4.4Å; F750-E812 HydrophobicContact CZ-CG 4.18Å; W808-E812 WeakPolarHBondContact O-CG 3.45Å; W808-E812 PolarHBondContact O-N 2.94Å; E812-C816 VanDerWaalsContact O-CB 3.31Å; E812-C816 WeakPolarHBondContact O-CB 3.47Å; E812-C816 PolarHBondContact O-N 2.97Å; E812-L825 WeakPolarHBondContact O-CD1 3.49Å; E812-F829 HydrophobicContact CB-CE2 4.29Å; E812-F829 HydrophobicContact CB-CZ 4.03Å; E812-F829 HydrophobicContact CG-CZ 4.45Å |
| 813 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -45.4 | 176.4 | -67.3 | 170.3 | 0 | 0 | 0 | 111 | V809 V810 T811 L815 C816 L825 L826 F829 L852 V857 L860 | V809-I813 HydrophobicContact CG1-CD1 3.86Å; V809-I813 WeakPolarHBondContact O-CG1 3.33Å; V809-I813 PolarHBondContact O-N 2.92Å; V810-I813 PolarHBondContact O-N 2.98Å; T811-I813 VanDerWaalsContact C-N 3.31Å; T811-I813 PolarHBondContact O-N 2.96Å; I813-L815 VanDerWaalsContact C-N 3.35Å; I813-L815 PolarHBondContact O-N 2.97Å; I813-C816 PolarHBondContact O-N 3.42Å; I813-L825 HydrophobicContact CG1-CB 4.43Å; I813-L826 HydrophobicContact CD1-CD2 3.77Å; I813-F829 HydrophobicContact CD1-CD2 4.18Å; I813-F829 HydrophobicContact CD1-CE2 4.31Å; I813-F829 HydrophobicContact CG1-CD2 4.35Å; I813-F829 HydrophobicContact CG1-CE2 4.06Å; I813-L852 HydrophobicContact CD1-CD2 3.88Å; I813-V857 HydrophobicContact CB-CG2 4.32Å; I813-V857 HydrophobicContact CD1-CG1 3.72Å; I813-V857 HydrophobicContact CD1-CG2 4Å; I813-V857 HydrophobicContact CG2-CG1 4.3Å; I813-V857 HydrophobicContact CG2-CG2 4.2Å; I813-L860 HydrophobicContact CG2-CD1 3.73Å |
| 814 | C | 98.3 | Very high | 98 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -71.4 | -27.1 | -177.7 | -67.7 | 0 | 0 | 0 | 0 | 113.3 | V810 T811 C816 L981 M984 L988 | V810-C814 WeakPolarHBondContact O-CB 3.07Å; V810-C814 PolarHBondContact O-N 3.17Å; V810-C814 PolarHBondContact O-SG 3.43Å; T811-C814 PolarHBondContact O-N 3.36Å; C814-C816 VanDerWaalsContact C-N 3.34Å; C814-L981 HydrophobicContact CB-CD2 4.1Å; C814-M984 HydrophobicContact CB-CB 4.05Å; C814-M984 HydrophobicContact CB-SD 4.37Å; C814-L988 WeakPolarHBondContact O-CD1 3.4Å |
| 815 | L | 98.1 | Very high | 98.1 | Very high | 36 Ų | 36 | 30 Ų | 30 | 19% | 0.188 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -7.3 | 174.5 | -67.7 | 176.1 | 0 | 0 | 0 | 113.2 | P742 T811 I813 S817 I975 M984 | P742-L815 HydrophobicContact CG-CD1 4.32Å; T811-L815 HydrophobicContact CG2-CD1 3.66Å; T811-L815 HydrophobicContact CG2-CG 4.4Å; T811-L815 WeakPolarHBondContact O-CB 3.35Å; T811-L815 WeakPolarHBondContact O-CG 3.46Å; T811-L815 PolarHBondContact O-N 3.44Å; I813-L815 VanDerWaalsContact C-N 3.35Å; I813-L815 PolarHBondContact O-N 2.97Å; L815-S817 PolarHBondContact O-N 3.34Å; L815-I975 HydrophobicContact CD1-CD1 4.28Å; L815-I975 HydrophobicContact CD2-CD1 4.37Å; L815-I975 HydrophobicContact CG-CD1 4.41Å; L815-M984 HydrophobicContact CD2-CE 3.96Å; L815-M984 HydrophobicContact CD2-SD 3.95Å |
| 816 | C | 97.9 | Very high | 98.1 | Very high | 9 Ų | 9 | 30 Ų | 30 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | trans | -90.8 | 94.8 | 179.9 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | E812 I813 C814 Q818 K821 R822 L825 | E812-C816 VanDerWaalsContact O-CB 3.31Å; E812-C816 WeakPolarHBondContact O-CB 3.47Å; E812-C816 PolarHBondContact O-N 2.97Å; I813-C816 PolarHBondContact O-N 3.42Å; C814-C816 VanDerWaalsContact C-N 3.34Å; C816-Q818 VanDerWaalsContact C-N 3.33Å; C816-Q818 PolarHBondContact O-N 2.94Å; C816-K821 VanDerWaalsContact SG-CB 3.59Å; C816-R822 HydrophobicContact CB-CG 3.68Å; C816-R822 WeakPolarHBondContact O-CD 3.47Å; C816-R822 WeakPolarHBondContact O-CG 3.44Å; C816-R822 PolarHBondContact O-NH1 2.88Å; C816-L825 HydrophobicContact CB-CD1 3.72Å | ||
| 817 | S | 96.2 | Very high | 98.1 | Very high | 92 Ų | 92 | 32.9 Ų | 32.9 | 64% | 0.643 | 17% | 0.174 | S | C | * | . | trans | -66.1 | -30 | -177.7 | 57.8 | 0 | 0 | 0 | 0 | 114.4 | L815 L819 R822 | L815-S817 PolarHBondContact O-N 3.34Å; S817-L819 PolarHBondContact O-N 3.19Å; S817-R822 VanDerWaalsContact C-NH1 3.3Å; S817-R822 PolarHBondContact O-NH1 3.36Å | ||
| 818 | Q | 97.3 | Very high | 98.1 | Very high | 99 Ų | 99 | 33.1 Ų | 33.1 | 46% | 0.463 | 18% | 0.175 | S | C | . | . | trans | -82.3 | 116 | -176.4 | -64.1 | 177.5 | 3.5 | 0 | 0 | 111.7 | C816 S820 K821 R822 | C816-Q818 VanDerWaalsContact C-N 3.33Å; C816-Q818 PolarHBondContact O-N 2.94Å; Q818-S820 VanDerWaalsContact C-N 3.33Å; Q818-S820 PolarHBondContact O-N 3.1Å; Q818-K821 HydrophobicContact CB-CB 4.16Å; Q818-K821 HydrophobicContact CB-CD 4.48Å; Q818-K821 HydrophobicContact CB-CG 4.21Å; Q818-K821 PolarHBondContact O-N 3.27Å; Q818-K821 VanDerWaalsContact O-N 3.13Å; Q818-R822 PolarHBondContact O-N 2.88Å | ||
| 819 | L | 97.4 | Very high | 98.1 | Very high | 48 Ų | 48 | 32.9 Ų | 32.9 | 25% | 0.251 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -53.7 | -44.5 | -179.4 | 175.4 | 62.2 | 0 | 0 | 0 | 113.1 | S817 K821 R822 V823 L862 T863 K866 | S817-L819 PolarHBondContact O-N 3.19Å; L819-K821 VanDerWaalsContact C-N 3.35Å; L819-K821 PolarHBondContact O-N 3.16Å; L819-R822 PolarHBondContact O-N 3.21Å; L819-V823 WeakPolarHBondContact O-CG2 3.03Å; L819-V823 PolarHBondContact O-N 3.1Å; L819-V823 VanDerWaalsContact O-N 3.09Å; L819-L862 HydrophobicContact CD1-CB 4.45Å; L819-T863 HydrophobicContact CD1-CG2 4.48Å; L819-T863 VanDerWaalsContact CD1-OG1 3.31Å; L819-T863 WeakPolarHBondContact CD1-OG1 3.43Å; L819-K866 HydrophobicContact CD2-CD 4.09Å |
| 820 | S | 97.3 | Very high | 98.1 | Very high | 81 Ų | 81 | 32.9 Ų | 32.9 | 57% | 0.566 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -61.6 | -41.6 | 179.6 | 52.9 | 0 | 0 | 0 | 0 | 112.6 | Q818 V823 Q824 | Q818-S820 VanDerWaalsContact C-N 3.33Å; Q818-S820 PolarHBondContact O-N 3.1Å; S820-V823 PolarHBondContact O-N 3.33Å; S820-Q824 WeakPolarHBondContact O-CG 3.45Å; S820-Q824 PolarHBondContact O-N 2.84Å |
| 821 | K | 97.7 | Very high | 98.1 | Very high | 82 Ų | 82 | 36.7 Ų | 36.7 | 36% | 0.357 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -71 | -34.8 | 176.2 | -67.5 | -165.6 | 177.6 | -175.6 | 0 | 112.2 | C816 Q818 L819 V823 Q824 L825 | C816-K821 VanDerWaalsContact SG-CB 3.59Å; Q818-K821 HydrophobicContact CB-CB 4.16Å; Q818-K821 HydrophobicContact CB-CD 4.48Å; Q818-K821 HydrophobicContact CB-CG 4.21Å; Q818-K821 PolarHBondContact O-N 3.27Å; Q818-K821 VanDerWaalsContact O-N 3.13Å; L819-K821 VanDerWaalsContact C-N 3.35Å; L819-K821 PolarHBondContact O-N 3.16Å; K821-V823 VanDerWaalsContact C-N 3.33Å; K821-V823 PolarHBondContact O-N 3.32Å; K821-Q824 CarbonylContact O-C 3.53Å; K821-Q824 WeakPolarHBondContact O-CA 3.28Å; K821-Q824 WeakPolarHBondContact O-CB 3.38Å; K821-Q824 PolarHBondContact O-N 3.43Å; K821-Q824 VanDerWaalsContact O-N 3.11Å; K821-L825 PolarHBondContact O-N 3.12Å |
| 822 | R | 97.9 | Very high | 98.1 | Very high | 8 Ų | 8 | 36.7 Ų | 36.7 | 3% | 0.03 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.7 | -42.3 | 172.1 | -73.9 | -161.2 | -57.6 | -88.8 | 9.9 | 112.7 | C816 S817 Q818 L819 Q824 L825 L826 T863 E989 | C816-R822 HydrophobicContact CB-CG 3.68Å; C816-R822 WeakPolarHBondContact O-CD 3.47Å; C816-R822 WeakPolarHBondContact O-CG 3.44Å; C816-R822 PolarHBondContact O-NH1 2.88Å; S817-R822 VanDerWaalsContact C-NH1 3.3Å; S817-R822 PolarHBondContact O-NH1 3.36Å; Q818-R822 PolarHBondContact O-N 2.88Å; L819-R822 PolarHBondContact O-N 3.21Å; R822-Q824 VanDerWaalsContact C-N 3.27Å; R822-Q824 PolarHBondContact O-N 2.84Å; R822-L825 WeakPolarHBondContact O-CB 3.4Å; R822-L825 PolarHBondContact O-N 3.37Å; R822-L825 VanDerWaalsContact O-N 3.12Å; R822-L826 PolarHBondContact O-N 2.92Å; R822-T863 HydrophobicContact CB-CG2 3.7Å; R822-T863 PolarHBondContact NE-OG1 3.43Å; R822-T863 VanDerWaalsContact NE-OG1 3.09Å; R822-E989 IonicContact CZ-OE1 2.74Å; R822-E989 IonicContact NE-OE1 2.78Å; R822-E989 IonicContact NH2-OE1 3.33Å; R822-E989 PolarHBondContact NH2-OE1 2.77Å |
| 823 | V | 98.4 | Very high | 98.1 | Very high | 20 Ų | 20 | 36.6 Ų | 36.6 | 12% | 0.121 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 175 | 177 | 0 | 0 | 0 | 0 | 110.8 | L819 S820 K821 L826 K827 T863 K866 L867 | L819-V823 WeakPolarHBondContact O-CG2 3.03Å; L819-V823 PolarHBondContact O-N 3.1Å; L819-V823 VanDerWaalsContact O-N 3.09Å; S820-V823 PolarHBondContact O-N 3.33Å; K821-V823 VanDerWaalsContact C-N 3.33Å; K821-V823 PolarHBondContact O-N 3.32Å; V823-L826 PolarHBondContact O-N 3.34Å; V823-K827 PolarHBondContact O-N 2.58Å; V823-K827 VanDerWaalsContact O-N 3.12Å; V823-T863 HydrophobicContact CG2-CG2 3.99Å; V823-K866 HydrophobicContact CG2-CB 3.89Å; V823-L867 HydrophobicContact CG1-CD1 4.34Å |
| 824 | Q | 97.8 | Very high | 98 | Very high | 97 Ų | 97 | 38.3 Ų | 38.3 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -64.9 | -37.9 | 173.9 | -67.3 | 171.4 | -22.1 | 0 | 0 | 112 | S820 K821 R822 K827 K828 | S820-Q824 WeakPolarHBondContact O-CG 3.45Å; S820-Q824 PolarHBondContact O-N 2.84Å; K821-Q824 CarbonylContact O-C 3.53Å; K821-Q824 WeakPolarHBondContact O-CA 3.28Å; K821-Q824 WeakPolarHBondContact O-CB 3.38Å; K821-Q824 PolarHBondContact O-N 3.43Å; K821-Q824 VanDerWaalsContact O-N 3.11Å; R822-Q824 VanDerWaalsContact C-N 3.27Å; R822-Q824 PolarHBondContact O-N 2.84Å; Q824-K827 PolarHBondContact O-N 2.94Å; Q824-K828 VanDerWaalsContact O-CB 3.29Å; Q824-K828 WeakPolarHBondContact O-CB 3.07Å; Q824-K828 PolarHBondContact O-N 3.03Å |
| 825 | L | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -47.9 | 173.8 | -74 | 179.6 | 0 | 0 | 0 | 112.4 | V747 F750 E812 I813 C816 K821 R822 K827 K828 F829 | V747-L825 HydrophobicContact CG1-CD2 4Å; V747-L825 HydrophobicContact CG1-CG 4.46Å; V747-L825 HydrophobicContact CG2-CD1 3.8Å; V747-L825 HydrophobicContact CG2-CD2 4.07Å; V747-L825 HydrophobicContact CG2-CG 4.37Å; F750-L825 HydrophobicContact CE1-CD2 4.38Å; F750-L825 HydrophobicContact CE2-CD2 4.13Å; F750-L825 HydrophobicContact CZ-CD2 3.53Å; E812-L825 WeakPolarHBondContact O-CD1 3.49Å; I813-L825 HydrophobicContact CG1-CB 4.43Å; C816-L825 HydrophobicContact CB-CD1 3.72Å; K821-L825 PolarHBondContact O-N 3.12Å; R822-L825 WeakPolarHBondContact O-CB 3.4Å; R822-L825 PolarHBondContact O-N 3.37Å; R822-L825 VanDerWaalsContact O-N 3.12Å; L825-K827 VanDerWaalsContact C-N 3.3Å; L825-K827 PolarHBondContact O-N 3.26Å; L825-K828 PolarHBondContact O-N 3.29Å; L825-F829 HydrophobicContact CB-CD2 4.38Å; L825-F829 HydrophobicContact CB-CE2 4.28Å; L825-F829 HydrophobicContact CD2-CE2 4.36Å; L825-F829 VanDerWaalsContact O-CD2 3.24Å; L825-F829 WeakPolarHBondContact O-CD2 3.12Å; L825-F829 PolarHBondContact O-N 2.99Å |
| 826 | L | 98.4 | Very high | 98 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.6 | -50.7 | 174.8 | -70.4 | -173.6 | 0 | 0 | 0 | 110.6 | I813 R822 V823 K828 F829 I830 L852 V857 T863 W864 L867 | I813-L826 HydrophobicContact CD1-CD2 3.77Å; R822-L826 PolarHBondContact O-N 2.92Å; V823-L826 PolarHBondContact O-N 3.34Å; L826-K828 VanDerWaalsContact C-N 3.29Å; L826-K828 PolarHBondContact O-N 2.87Å; L826-F829 PolarHBondContact O-N 2.85Å; L826-I830 WeakPolarHBondContact O-CB 3.1Å; L826-I830 WeakPolarHBondContact O-CD1 3.4Å; L826-I830 VanDerWaalsContact O-CG1 3.23Å; L826-I830 WeakPolarHBondContact O-CG1 3.5Å; L826-I830 PolarHBondContact O-N 3.33Å; L826-L852 HydrophobicContact CD2-CD2 3.68Å; L826-V857 HydrophobicContact CD2-CG1 4.07Å; L826-T863 HydrophobicContact CD1-CG2 3.61Å; L826-T863 HydrophobicContact CG-CG2 4.13Å; L826-W864 HydrophobicContact CD1-CD2 3.82Å; L826-W864 HydrophobicContact CD1-CE3 3.94Å; L826-W864 HydrophobicContact CD1-CG 4.3Å; L826-W864 HydrophobicContact CD1-CH2 4.47Å; L826-W864 HydrophobicContact CD1-CZ2 4.35Å; L826-W864 HydrophobicContact CD1-CZ3 4.27Å; L826-W864 HydrophobicContact CD2-CH2 4.19Å; L826-W864 HydrophobicContact CD2-CZ2 3.94Å; L826-L867 HydrophobicContact CB-CD1 4Å |
| 827 | K | 98.4 | Very high | 98 | Very high | 80 Ų | 80 | 41.2 Ų | 41.2 | 35% | 0.348 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.2 | -39.8 | 176 | 178.2 | 178.4 | 172.3 | -175.7 | 0 | 112.2 | V823 Q824 L825 K831 L867 F871 | V823-K827 PolarHBondContact O-N 2.58Å; V823-K827 VanDerWaalsContact O-N 3.12Å; Q824-K827 PolarHBondContact O-N 2.94Å; L825-K827 VanDerWaalsContact C-N 3.3Å; L825-K827 PolarHBondContact O-N 3.26Å; K827-K831 VanDerWaalsContact O-CG 3.28Å; K827-K831 WeakPolarHBondContact O-CG 3.48Å; K827-K831 PolarHBondContact O-N 2.69Å; K827-K831 VanDerWaalsContact O-N 3.16Å; K827-L867 HydrophobicContact CB-CD1 4.23Å; K827-F871 HydrophobicContact CD-CD2 4.21Å; K827-F871 HydrophobicContact CD-CE2 3.73Å; K827-F871 HydrophobicContact CD-CZ 4Å; K827-F871 HydrophobicContact CG-CD1 4.13Å; K827-F871 HydrophobicContact CG-CD2 3.99Å; K827-F871 HydrophobicContact CG-CE1 3.87Å; K827-F871 HydrophobicContact CG-CE2 3.73Å; K827-F871 HydrophobicContact CG-CG 4.2Å; K827-F871 HydrophobicContact CG-CZ 3.67Å |
| 828 | K | 98.4 | Very high | 97.9 | Very high | 27 Ų | 27 | 42.6 Ų | 42.6 | 12% | 0.117 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.1 | -44.7 | -178.6 | -167.3 | 173.4 | 175.6 | 90.2 | 0 | 111.5 | F750 E751 M753 Q824 L825 L826 K831 I832 | F750-K828 HydrophobicContact CD2-CD 4.12Å; F750-K828 HydrophobicContact CE2-CD 3.91Å; F750-K828 WeakPolarHBondContact O-CE 3.47Å; F750-K828 PolarHBondContact O-NZ 3.26Å; E751-K828 PolarHBondContact O-NZ 2.73Å; M753-K828 PolarHBondContact O-NZ 2.77Å; Q824-K828 VanDerWaalsContact O-CB 3.29Å; Q824-K828 WeakPolarHBondContact O-CB 3.07Å; Q824-K828 PolarHBondContact O-N 3.03Å; L825-K828 PolarHBondContact O-N 3.29Å; L826-K828 VanDerWaalsContact C-N 3.29Å; L826-K828 PolarHBondContact O-N 2.87Å; K828-K831 WeakPolarHBondContact O-CB 3.07Å; K828-K831 PolarHBondContact O-N 2.85Å; K828-I832 HydrophobicContact CG-CD1 4.2Å; K828-I832 VanDerWaalsContact O-CG1 3.27Å; K828-I832 WeakPolarHBondContact O-CG1 2.89Å; K828-I832 PolarHBondContact O-N 3.43Å |
| 829 | F | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.6 | -41.6 | 176.4 | -73.8 | -57.6 | 0 | 0 | 0 | 112.6 | F750 W808 V809 E812 I813 L825 L826 K831 I832 A833 I848 L852 | F750-F829 HydrophobicContact CE2-CE1 4.34Å; F750-F829 HydrophobicContact CE2-CZ 4.2Å; F750-F829 AromaticContact CZ-CZ 3.97Å; F750-F829 HydrophobicContact CZ-CZ 3.97Å; W808-F829 HydrophobicContact CD2-CE1 4.12Å; W808-F829 AromaticContact CE2-CE1 3.96Å; W808-F829 AromaticContact CE3-CE1 3.93Å; W808-F829 HydrophobicContact CE3-CE1 3.93Å; W808-F829 HydrophobicContact CH2-CD1 4.22Å; W808-F829 AromaticContact CH2-CE1 3.54Å; W808-F829 HydrophobicContact CH2-CE1 3.54Å; W808-F829 AromaticContact CZ2-CE1 3.67Å; W808-F829 HydrophobicContact CZ2-CE1 3.67Å; W808-F829 HydrophobicContact CZ2-CZ 4.27Å; W808-F829 HydrophobicContact CZ3-CD1 4.19Å; W808-F829 AromaticContact CZ3-CE1 3.66Å; W808-F829 HydrophobicContact CZ3-CE1 3.66Å; V809-F829 HydrophobicContact CB-CE1 4.43Å; V809-F829 HydrophobicContact CB-CZ 4.42Å; V809-F829 HydrophobicContact CG1-CD1 4.48Å; V809-F829 HydrophobicContact CG1-CD2 3.97Å; V809-F829 HydrophobicContact CG1-CE2 4.16Å; V809-F829 HydrophobicContact CG1-CG 4.14Å; V809-F829 HydrophobicContact CG2-CD1 3.78Å; V809-F829 HydrophobicContact CG2-CE1 3.81Å; V809-F829 HydrophobicContact CG2-CG 4.23Å; V809-F829 HydrophobicContact CG2-CZ 4.28Å; E812-F829 HydrophobicContact CB-CE2 4.29Å; E812-F829 HydrophobicContact CB-CZ 4.03Å; E812-F829 HydrophobicContact CG-CZ 4.45Å; I813-F829 HydrophobicContact CD1-CD2 4.18Å; I813-F829 HydrophobicContact CD1-CE2 4.31Å; I813-F829 HydrophobicContact CG1-CD2 4.35Å; I813-F829 HydrophobicContact CG1-CE2 4.06Å; L825-F829 HydrophobicContact CB-CD2 4.38Å; L825-F829 HydrophobicContact CB-CE2 4.28Å; L825-F829 HydrophobicContact CD2-CE2 4.36Å; L825-F829 VanDerWaalsContact O-CD2 3.24Å; L825-F829 WeakPolarHBondContact O-CD2 3.12Å; L825-F829 PolarHBondContact O-N 2.99Å; L826-F829 PolarHBondContact O-N 2.85Å; F829-K831 VanDerWaalsContact C-N 3.26Å; F829-K831 PolarHBondContact O-N 2.72Å; F829-I832 HydrophobicContact CD1-CD1 4.21Å; F829-I832 PolarHBondContact O-N 2.72Å; F829-I832 VanDerWaalsContact O-N 3.14Å; F829-A833 WeakPolarHBondContact O-CB 3.39Å; F829-A833 PolarHBondContact O-N 2.72Å; F829-I848 HydrophobicContact CB-CG2 4.01Å; F829-L852 HydrophobicContact CB-CD1 4.45Å; F829-L852 HydrophobicContact CB-CD2 4.17Å |
| 830 | I | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 174 | -67.5 | 164.6 | 0 | 0 | 0 | 110.7 | L826 A834 L852 L867 F871 F874 F878 | L826-I830 WeakPolarHBondContact O-CB 3.1Å; L826-I830 WeakPolarHBondContact O-CD1 3.4Å; L826-I830 VanDerWaalsContact O-CG1 3.23Å; L826-I830 WeakPolarHBondContact O-CG1 3.5Å; L826-I830 PolarHBondContact O-N 3.33Å; I830-A834 WeakPolarHBondContact O-CB 3.36Å; I830-A834 PolarHBondContact O-N 3.33Å; I830-L852 HydrophobicContact CG1-CD1 3.79Å; I830-L867 HydrophobicContact CD1-CD2 3.85Å; I830-F871 HydrophobicContact CB-CD1 4.45Å; I830-F871 HydrophobicContact CD1-CB 4.15Å; I830-F871 HydrophobicContact CG2-CD1 3.99Å; I830-F874 HydrophobicContact CG2-CB 4.01Å; I830-F878 HydrophobicContact CG2-CE2 3.93Å |
| 831 | K | 98.5 | Very high | 97.9 | Very high | 80 Ų | 80 | 35.2 Ų | 35.2 | 35% | 0.348 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.8 | -41.4 | 174.5 | -74.1 | 175.6 | 172.4 | -163.2 | 0 | 113.3 | K827 K828 F829 A833 A834 H835 F871 | K827-K831 VanDerWaalsContact O-CG 3.28Å; K827-K831 WeakPolarHBondContact O-CG 3.48Å; K827-K831 PolarHBondContact O-N 2.69Å; K827-K831 VanDerWaalsContact O-N 3.16Å; K828-K831 WeakPolarHBondContact O-CB 3.07Å; K828-K831 PolarHBondContact O-N 2.85Å; F829-K831 VanDerWaalsContact C-N 3.26Å; F829-K831 PolarHBondContact O-N 2.72Å; K831-A833 VanDerWaalsContact C-N 3.34Å; K831-A834 WeakPolarHBondContact O-CB 3.23Å; K831-A834 PolarHBondContact O-N 3.1Å; K831-H835 PolarHBondContact O-CD2 3.03Å; K831-H835 PolarHBondContact O-N 2.85Å; K831-H835 VanDerWaalsContact O-N 3.1Å; K831-F871 HydrophobicContact CD-CE1 4.39Å; K831-F871 HydrophobicContact CG-CE1 3.85Å |
| 832 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -45.7 | 176.8 | -65.1 | 162.7 | 0 | 0 | 0 | 109.3 | L758 A759 M762 W808 K828 F829 A834 H835 C836 I848 | L758-I832 HydrophobicContact CB-CD1 4.36Å; L758-I832 HydrophobicContact CB-CG1 4.36Å; L758-I832 HydrophobicContact CD1-CD1 3.75Å; L758-I832 HydrophobicContact CD1-CG1 4.36Å; A759-I832 HydrophobicContact CB-CG2 4.18Å; M762-I832 HydrophobicContact SD-CG2 3.99Å; W808-I832 HydrophobicContact CH2-CD1 4.18Å; K828-I832 HydrophobicContact CG-CD1 4.2Å; K828-I832 VanDerWaalsContact O-CG1 3.27Å; K828-I832 WeakPolarHBondContact O-CG1 2.89Å; K828-I832 PolarHBondContact O-N 3.43Å; F829-I832 HydrophobicContact CD1-CD1 4.21Å; F829-I832 PolarHBondContact O-N 2.72Å; F829-I832 VanDerWaalsContact O-N 3.14Å; I832-A834 VanDerWaalsContact C-N 3.35Å; I832-A834 PolarHBondContact O-N 2.92Å; I832-H835 PolarHBondContact O-N 2.89Å; I832-C836 PolarHBondContact O-N 2.93Å; I832-C836 PolarHBondContact O-SG 3.28Å; I832-C836 VanDerWaalsContact O-SG 3.39Å; I832-I848 HydrophobicContact CB-CD1 4.24Å; I832-I848 HydrophobicContact CG2-CD1 3.6Å |
| 833 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.7 | -45.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F829 K831 H835 C836 K837 F845 I848 V849 F878 | F829-A833 WeakPolarHBondContact O-CB 3.39Å; F829-A833 PolarHBondContact O-N 2.72Å; K831-A833 VanDerWaalsContact C-N 3.34Å; A833-H835 VanDerWaalsContact C-N 3.32Å; A833-H835 PolarHBondContact O-N 3.16Å; A833-C836 WeakPolarHBondContact O-CB 3.23Å; A833-C836 PolarHBondContact O-N 2.99Å; A833-C836 VanDerWaalsContact O-N 3.17Å; A833-K837 PolarHBondContact O-N 2.76Å; A833-F845 HydrophobicContact CB-CD2 3.94Å; A833-F845 HydrophobicContact CB-CE2 4.38Å; A833-F845 WeakPolarHBondContact O-CD2 3.44Å; A833-I848 HydrophobicContact CB-CB 4.17Å; A833-I848 HydrophobicContact CB-CD1 4.34Å; A833-I848 HydrophobicContact CB-CG2 3.9Å; A833-V849 HydrophobicContact CB-CG2 4.45Å; A833-F878 HydrophobicContact CB-CD2 4.34Å; A833-F878 HydrophobicContact CB-CE2 4.03Å |
| 834 | A | 97.9 | Very high | 98 | Very high | 36 Ų | 36 | 30 Ų | 30 | 30% | 0.298 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -56 | -45.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | I830 K831 I832 K837 E838 F878 | I830-A834 WeakPolarHBondContact O-CB 3.36Å; I830-A834 PolarHBondContact O-N 3.33Å; K831-A834 WeakPolarHBondContact O-CB 3.23Å; K831-A834 PolarHBondContact O-N 3.1Å; I832-A834 VanDerWaalsContact C-N 3.35Å; I832-A834 PolarHBondContact O-N 2.92Å; A834-K837 PolarHBondContact O-N 2.72Å; A834-E838 PolarHBondContact O-N 2.85Å; A834-F878 HydrophobicContact CB-CE2 4.47Å; A834-F878 HydrophobicContact CB-CZ 3.89Å |
| 835 | H | 97.9 | Very high | 98 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 22% | 0.218 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.6 | -35.6 | 176.4 | -71.4 | -58 | 0 | 0 | 0 | 113 | A759 K831 I832 A833 K837 E838 Y839 | A759-H835 HydrophobicContact CB-CB 3.48Å; A759-H835 VanDerWaalsContact CB-CB 3.48Å; K831-H835 PolarHBondContact O-CD2 3.03Å; K831-H835 PolarHBondContact O-N 2.85Å; K831-H835 VanDerWaalsContact O-N 3.1Å; I832-H835 PolarHBondContact O-N 2.89Å; A833-H835 VanDerWaalsContact C-N 3.32Å; A833-H835 PolarHBondContact O-N 3.16Å; H835-K837 VanDerWaalsContact C-N 3.3Å; H835-K837 PolarHBondContact O-N 3.12Å; H835-E838 IonicContact CE1-OE2 2.76Å; H835-E838 IonicContact CG-OE2 3.32Å; H835-E838 IonicContact ND1-OE2 3.43Å; H835-E838 PolarHBondContact ND1-OE2 3.5Å; H835-E838 WeakPolarHBondContact O-CB 3.43Å; H835-E838 PolarHBondContact O-N 2.97Å; H835-Y839 HydrophobicContact CB-CE2 4.36Å; H835-Y839 WeakPolarHBondContact O-CD2 3.44Å; H835-Y839 PolarHBondContact O-N 3.29Å |
| 836 | C | 98.2 | Very high | 98 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 171.8 | -71.1 | 0 | 0 | 0 | 0 | 111.2 | I832 A833 Y839 K840 N841 F845 | I832-C836 PolarHBondContact O-N 2.93Å; I832-C836 PolarHBondContact O-SG 3.28Å; I832-C836 VanDerWaalsContact O-SG 3.39Å; A833-C836 WeakPolarHBondContact O-CB 3.23Å; A833-C836 PolarHBondContact O-N 2.99Å; A833-C836 VanDerWaalsContact O-N 3.17Å; C836-Y839 CarbonylContact O-C 2.99Å; C836-Y839 PolarHBondContact O-N 2.88Å; C836-K840 PolarHBondContact O-N 2.95Å; C836-N841 WeakPolarHBondContact O-CA 3.38Å; C836-N841 PolarHBondContact O-N 2.91Å; C836-F845 HydrophobicContact CB-CB 4.14Å |
| 837 | K | 96.5 | Very high | 98 | Very high | 64 Ų | 64 | 25.3 Ų | 25.3 | 28% | 0.278 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 174.4 | -176 | -180 | 174.9 | -174.6 | 0 | 111.8 | A833 A834 H835 Y839 K840 L842 F845 | A833-K837 PolarHBondContact O-N 2.76Å; A834-K837 PolarHBondContact O-N 2.72Å; H835-K837 VanDerWaalsContact C-N 3.3Å; H835-K837 PolarHBondContact O-N 3.12Å; K837-Y839 VanDerWaalsContact C-N 3.31Å; K837-Y839 PolarHBondContact O-N 3.47Å; K837-K840 WeakPolarHBondContact O-CA 3.48Å; K837-K840 PolarHBondContact O-N 3.45Å; K837-L842 HydrophobicContact CG-CD2 4.26Å; K837-F845 HydrophobicContact CB-CB 4.48Å; K837-F845 HydrophobicContact CB-CD2 3.82Å; K837-F845 HydrophobicContact CB-CE2 4.24Å; K837-F845 HydrophobicContact CB-CG 4.14Å; K837-F845 HydrophobicContact CD-CE2 4.14Å; K837-F845 HydrophobicContact CD-CZ 4.24Å |
| 838 | E | 95.3 | Very high | 98 | Very high | 121 Ų | 121 | 21.5 Ų | 21.5 | 57% | 0.565 | 10% | 0.102 | S | C | * | . | H | α-helix | trans | -58.2 | -41.1 | 174.5 | -172.3 | -175.9 | 178.2 | 0 | 0 | 111.9 | A834 H835 K840 | A834-E838 PolarHBondContact O-N 2.85Å; H835-E838 IonicContact CE1-OE2 2.76Å; H835-E838 IonicContact CG-OE2 3.32Å; H835-E838 IonicContact ND1-OE2 3.43Å; H835-E838 PolarHBondContact ND1-OE2 3.5Å; H835-E838 WeakPolarHBondContact O-CB 3.43Å; H835-E838 PolarHBondContact O-N 2.97Å; E838-K840 PolarHBondContact O-N 3.29Å |
| 839 | Y | 96.1 | Very high | 98 | Very high | 21 Ų | 21 | 20.2 Ų | 20.2 | 8% | 0.082 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | 6.7 | 174.2 | -65.4 | -51.9 | 0 | 0 | 0 | 114.5 | K756 A759 Y760 H835 C836 K837 N841 F951 P953 | K756-Y839 WeakPolarHBondContact CE-OH 3.49Å; K756-Y839 VanDerWaalsContact CG-OH 3.27Å; K756-Y839 WeakPolarHBondContact CG-OH 3.48Å; A759-Y839 HydrophobicContact CB-CD2 4.28Å; A759-Y839 HydrophobicContact CB-CE2 4.18Å; Y760-Y839 HydrophobicContact CD2-CE1 4.37Å; H835-Y839 HydrophobicContact CB-CE2 4.36Å; H835-Y839 WeakPolarHBondContact O-CD2 3.44Å; H835-Y839 PolarHBondContact O-N 3.29Å; C836-Y839 CarbonylContact O-C 2.99Å; C836-Y839 PolarHBondContact O-N 2.88Å; K837-Y839 VanDerWaalsContact C-N 3.31Å; K837-Y839 PolarHBondContact O-N 3.47Å; Y839-N841 PolarHBondContact O-N 3.03Å; Y839-F951 HydrophobicContact CD1-CE2 4.47Å; Y839-F951 HydrophobicContact CD1-CZ 4.17Å; Y839-F951 HydrophobicContact CG-CZ 4.34Å; Y839-P953 HydrophobicContact CE1-CB 4.37Å |
| 840 | K | 97.4 | Very high | 97.8 | Very high | 51 Ų | 51 | 21 Ų | 21 | 22% | 0.222 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.4 | 25.6 | -175.6 | -56 | 178.7 | -78.3 | 169.7 | 0 | 113.2 | C836 K837 E838 L842 L898 E899 P901 L902 I903 | C836-K840 PolarHBondContact O-N 2.95Å; K837-K840 WeakPolarHBondContact O-CA 3.48Å; K837-K840 PolarHBondContact O-N 3.45Å; E838-K840 PolarHBondContact O-N 3.29Å; K840-L842 PolarHBondContact O-N 3.5Å; K840-L898 HydrophobicContact CD-CD2 4.37Å; K840-L898 HydrophobicContact CG-CD2 4.37Å; K840-E899 PolarHBondContact NZ-O 3.42Å; K840-P901 WeakPolarHBondContact CE-O 3.5Å; K840-P901 PolarHBondContact NZ-O 3.1Å; K840-L902 HydrophobicContact CB-CB 3.86Å; K840-L902 WeakPolarHBondContact O-CA 3.3Å; K840-I903 PolarHBondContact O-N 3.41Å |
| 841 | N | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.101 | C | C | . | . | B | Isolated β-bridge | trans | -91.7 | 80.3 | 170.1 | -176.8 | -2.7 | 0 | 0 | 0 | 109.5 | T763 D766 C836 Y839 N843 S844 F845 I903 | T763-N841 WeakPolarHBondContact CA-ND2 3.23Å; T763-N841 HydrophobicContact CG2-CB 3.82Å; T763-N841 WeakPolarHBondContact OG1-CB 3.22Å; T763-N841 PolarHBondContact OG1-ND2 3.04Å; T763-N841 VanDerWaalsContact OG1-ND2 3.11Å; D766-N841 PolarHBondContact OD2-ND2 3.32Å; C836-N841 WeakPolarHBondContact O-CA 3.38Å; C836-N841 PolarHBondContact O-N 2.91Å; Y839-N841 PolarHBondContact O-N 3.03Å; N841-N843 VanDerWaalsContact C-N 3.31Å; N841-S844 PolarHBondContact OD1-N 3.07Å; N841-S844 VanDerWaalsContact OD1-N 3.16Å; N841-F845 WeakPolarHBondContact O-CB 3.32Å; N841-F845 PolarHBondContact O-N 2.6Å; N841-I903 HydrophobicContact CB-CD1 4.49Å |
| 842 | L | 98.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -73.1 | -27.3 | -177.8 | -57.8 | -177.4 | 0 | 0 | 0 | 111.8 | K837 K840 F845 F846 Y891 V895 L898 I903 | K837-L842 HydrophobicContact CG-CD2 4.26Å; K840-L842 PolarHBondContact O-N 3.5Å; L842-F845 PolarHBondContact O-N 3.43Å; L842-F846 HydrophobicContact CB-CD2 4.27Å; L842-F846 HydrophobicContact CB-CE2 4.2Å; L842-F846 WeakPolarHBondContact O-CD2 3.47Å; L842-F846 PolarHBondContact O-N 3.14Å; L842-Y891 HydrophobicContact CD1-CE2 3.98Å; L842-V895 HydrophobicContact CD1-CG2 3.42Å; L842-V895 VanDerWaalsContact CD1-CG2 3.42Å; L842-L898 HydrophobicContact CD1-CD1 3.99Å; L842-I903 WeakPolarHBondContact CB-O 3.28Å; L842-I903 PolarHBondContact N-O 3.37Å |
| 843 | N | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.6 Ų | 18.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -56.6 | -54.8 | 176.1 | -164.2 | 63.7 | 0 | 0 | 0 | 111.7 | F802 N841 F846 A847 I903 P904 M906 | F802-N843 WeakPolarHBondContact CD2-O 3.46Å; F802-N843 VanDerWaalsContact CE2-O 3.28Å; F802-N843 WeakPolarHBondContact CE2-O 3.46Å; N841-N843 VanDerWaalsContact C-N 3.31Å; N843-F846 PolarHBondContact O-N 3.35Å; N843-A847 PolarHBondContact O-N 3.08Å; N843-I903 HydrophobicContact CB-CG2 3.72Å; N843-I903 PolarHBondContact N-O 3.06Å; N843-P904 VanDerWaalsContact CB-O 3.3Å; N843-P904 WeakPolarHBondContact CB-O 3.35Å; N843-M906 PolarHBondContact OD1-N 3.27Å |
| 844 | S | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -77.3 | -28.6 | -177.8 | -68.8 | 0 | 0 | 0 | 0 | 113.2 | D766 I805 N841 A847 I848 | D766-S844 WeakPolarHBondContact OD2-CB 3.27Å; D766-S844 PolarHBondContact OD2-OG 2.72Å; I805-S844 WeakPolarHBondContact CD1-OG 3.32Å; N841-S844 PolarHBondContact OD1-N 3.07Å; N841-S844 VanDerWaalsContact OD1-N 3.16Å; S844-A847 PolarHBondContact O-N 3.29Å; S844-I848 WeakPolarHBondContact O-CD1 3.48Å; S844-I848 VanDerWaalsContact O-CG1 3.29Å; S844-I848 WeakPolarHBondContact O-CG1 3.41Å; S844-I848 PolarHBondContact O-N 3.3Å; S844-I848 VanDerWaalsContact O-N 3.1Å |
| 845 | F | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54.8 | -55.1 | 166.7 | 165.2 | -103.9 | 0 | 0 | 0 | 110.9 | A833 C836 K837 N841 L842 A847 I848 V849 F878 L881 | A833-F845 HydrophobicContact CB-CD2 3.94Å; A833-F845 HydrophobicContact CB-CE2 4.38Å; A833-F845 WeakPolarHBondContact O-CD2 3.44Å; C836-F845 HydrophobicContact CB-CB 4.14Å; K837-F845 HydrophobicContact CB-CB 4.48Å; K837-F845 HydrophobicContact CB-CD2 3.82Å; K837-F845 HydrophobicContact CB-CE2 4.24Å; K837-F845 HydrophobicContact CB-CG 4.14Å; K837-F845 HydrophobicContact CD-CE2 4.14Å; K837-F845 HydrophobicContact CD-CZ 4.24Å; N841-F845 WeakPolarHBondContact O-CB 3.32Å; N841-F845 PolarHBondContact O-N 2.6Å; L842-F845 PolarHBondContact O-N 3.43Å; F845-A847 PolarHBondContact O-N 3.41Å; F845-I848 PolarHBondContact O-N 3.41Å; F845-V849 HydrophobicContact CD2-CG2 4.2Å; F845-V849 HydrophobicContact CE1-CG2 4.48Å; F845-V849 HydrophobicContact CE2-CG2 3.87Å; F845-V849 HydrophobicContact CZ-CG2 4.02Å; F845-V849 VanDerWaalsContact O-CG2 3.28Å; F845-V849 WeakPolarHBondContact O-CG2 3.48Å; F845-V849 PolarHBondContact O-N 2.86Å; F845-V849 VanDerWaalsContact O-N 3.08Å; F845-F878 HydrophobicContact CE2-CB 3.97Å; F845-F878 AromaticContact CE2-CD1 3.66Å; F845-F878 HydrophobicContact CE2-CD1 3.66Å; F845-F878 AromaticContact CE2-CD2 3.72Å; F845-F878 HydrophobicContact CE2-CD2 3.72Å; F845-F878 HydrophobicContact CE2-CE1 4.03Å; F845-F878 HydrophobicContact CE2-CE2 4.07Å; F845-F878 AromaticContact CE2-CG 3.5Å; F845-F878 HydrophobicContact CE2-CG 3.5Å; F845-F878 HydrophobicContact CE2-CZ 4.22Å; F845-F878 HydrophobicContact CZ-CB 3.71Å; F845-F878 AromaticContact CZ-CD1 3.8Å; F845-F878 HydrophobicContact CZ-CD1 3.8Å; F845-F878 HydrophobicContact CZ-CD2 4.34Å; F845-F878 AromaticContact CZ-CG 3.7Å; F845-F878 HydrophobicContact CZ-CG 3.7Å; F845-L881 HydrophobicContact CE1-CD2 4.42Å |
| 846 | F | 98.1 | Very high | 96.7 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -67.7 | -35.4 | -179.5 | -75.7 | -61.6 | 0 | 0 | 0 | 112.8 | F802 L842 N843 I848 V849 M850 L881 M882 Y891 F905 | F802-F846 HydrophobicContact CE2-CB 4.11Å; F802-F846 HydrophobicContact CZ-CB 4.41Å; L842-F846 HydrophobicContact CB-CD2 4.27Å; L842-F846 HydrophobicContact CB-CE2 4.2Å; L842-F846 WeakPolarHBondContact O-CD2 3.47Å; L842-F846 PolarHBondContact O-N 3.14Å; N843-F846 PolarHBondContact O-N 3.35Å; F846-I848 VanDerWaalsContact C-N 3.29Å; F846-I848 PolarHBondContact O-N 3.43Å; F846-V849 PolarHBondContact O-N 3.12Å; F846-M850 WeakPolarHBondContact O-CB 3.35Å; F846-M850 VanDerWaalsContact O-CG 3.3Å; F846-M850 WeakPolarHBondContact O-CG 3.41Å; F846-M850 PolarHBondContact O-N 2.65Å; F846-L881 HydrophobicContact CE1-CB 4.05Å; F846-L881 HydrophobicContact CZ-CB 4.11Å; F846-M882 HydrophobicContact CD1-CG 3.41Å; F846-M882 VanDerWaalsContact CD1-CG 3.41Å; F846-M882 HydrophobicContact CD1-SD 3.92Å; F846-M882 HydrophobicContact CE1-CB 4.44Å; F846-M882 HydrophobicContact CE1-CG 3.41Å; F846-M882 VanDerWaalsContact CE1-CG 3.41Å; F846-Y891 AromaticContact CE2-CD2 3.5Å; F846-Y891 HydrophobicContact CE2-CD2 3.5Å; F846-Y891 AromaticContact CE2-CE2 3.82Å; F846-Y891 HydrophobicContact CE2-CE2 3.82Å; F846-Y891 AromaticContact CZ-CD2 3.83Å; F846-Y891 HydrophobicContact CZ-CD2 3.83Å; F846-F905 HydrophobicContact CB-CD2 3.92Å; F846-F905 HydrophobicContact CB-CE2 4.03Å; F846-F905 HydrophobicContact CB-CG 4.41Å; F846-F905 HydrophobicContact CD2-CB 3.7Å; F846-F905 HydrophobicContact CD2-CD1 4.11Å; F846-F905 HydrophobicContact CD2-CD2 4.02Å; F846-F905 AromaticContact CD2-CG 3.68Å; F846-F905 HydrophobicContact CD2-CG 3.68Å; F846-F905 HydrophobicContact CE2-CB 4.02Å; F846-F905 HydrophobicContact CE2-CD1 4.39Å; F846-F905 HydrophobicContact CE2-CG 4.25Å; F846-F905 HydrophobicContact CG-CD1 4.45Å; F846-F905 HydrophobicContact CG-CD2 4.2Å; F846-F905 HydrophobicContact CG-CG 4.19Å |
| 847 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -57.7 | -43.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | F802 I805 Q806 N843 S844 F845 G851 | F802-A847 HydrophobicContact CD2-CB 3.75Å; F802-A847 HydrophobicContact CE1-CB 4.44Å; F802-A847 HydrophobicContact CE2-CB 3.68Å; F802-A847 VanDerWaalsContact CE2-N 3.34Å; F802-A847 HydrophobicContact CG-CB 4.17Å; F802-A847 HydrophobicContact CZ-CB 4.02Å; I805-A847 HydrophobicContact CB-CB 3.81Å; I805-A847 HydrophobicContact CG2-CB 3.64Å; Q806-A847 WeakPolarHBondContact CA-O 3.2Å; N843-A847 PolarHBondContact O-N 3.08Å; S844-A847 PolarHBondContact O-N 3.29Å; F845-A847 PolarHBondContact O-N 3.41Å; A847-G851 PolarHBondContact O-N 2.74Å |
| 848 | I | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -67.2 | -46.6 | 177.6 | -65.6 | 164.9 | 0 | 0 | 0 | 111.1 | M762 I805 V809 F829 I832 A833 S844 F845 F846 M850 G851 L852 | M762-I848 HydrophobicContact CE-CD1 4.26Å; I805-I848 HydrophobicContact CG2-CG1 3.78Å; V809-I848 HydrophobicContact CG2-CB 4.33Å; V809-I848 HydrophobicContact CG2-CG1 4.21Å; V809-I848 HydrophobicContact CG2-CG2 4.08Å; F829-I848 HydrophobicContact CB-CG2 4.01Å; I832-I848 HydrophobicContact CB-CD1 4.24Å; I832-I848 HydrophobicContact CG2-CD1 3.6Å; A833-I848 HydrophobicContact CB-CB 4.17Å; A833-I848 HydrophobicContact CB-CD1 4.34Å; A833-I848 HydrophobicContact CB-CG2 3.9Å; S844-I848 WeakPolarHBondContact O-CD1 3.48Å; S844-I848 VanDerWaalsContact O-CG1 3.29Å; S844-I848 WeakPolarHBondContact O-CG1 3.41Å; S844-I848 PolarHBondContact O-N 3.3Å; S844-I848 VanDerWaalsContact O-N 3.1Å; F845-I848 PolarHBondContact O-N 3.41Å; F846-I848 VanDerWaalsContact C-N 3.29Å; F846-I848 PolarHBondContact O-N 3.43Å; I848-M850 VanDerWaalsContact C-N 3.34Å; I848-M850 PolarHBondContact O-N 2.93Å; I848-G851 WeakPolarHBondContact O-CA 3.14Å; I848-G851 PolarHBondContact O-N 2.79Å; I848-G851 VanDerWaalsContact O-N 3.09Å; I848-L852 HydrophobicContact CG2-CD1 4.34Å; I848-L852 WeakPolarHBondContact O-CG 3.4Å; I848-L852 PolarHBondContact O-N 3.34Å |
| 849 | V | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | -179.2 | 179.8 | 0 | 0 | 0 | 0 | 110.8 | A833 F845 F846 G851 L852 S853 Y875 F878 M882 | A833-V849 HydrophobicContact CB-CG2 4.45Å; F845-V849 HydrophobicContact CD2-CG2 4.2Å; F845-V849 HydrophobicContact CE1-CG2 4.48Å; F845-V849 HydrophobicContact CE2-CG2 3.87Å; F845-V849 HydrophobicContact CZ-CG2 4.02Å; F845-V849 VanDerWaalsContact O-CG2 3.28Å; F845-V849 WeakPolarHBondContact O-CG2 3.48Å; F845-V849 PolarHBondContact O-N 2.86Å; F845-V849 VanDerWaalsContact O-N 3.08Å; F846-V849 PolarHBondContact O-N 3.12Å; V849-G851 VanDerWaalsContact C-N 3.29Å; V849-G851 PolarHBondContact O-N 3.38Å; V849-L852 PolarHBondContact O-N 3.33Å; V849-S853 WeakPolarHBondContact O-CB 3.23Å; V849-S853 PolarHBondContact O-N 3.17Å; V849-S853 PolarHBondContact O-OG 3.02Å; V849-Y875 HydrophobicContact CG1-CE2 4.07Å; V849-F878 HydrophobicContact CG1-CB 4.16Å; V849-F878 HydrophobicContact CG2-CB 3.8Å; V849-F878 HydrophobicContact CG2-CD2 4.05Å; V849-F878 HydrophobicContact CG2-CG 4.3Å; V849-M882 HydrophobicContact CB-SD 4.11Å; V849-M882 HydrophobicContact CG1-CE 3.5Å; V849-M882 VanDerWaalsContact CG1-CE 3.5Å; V849-M882 HydrophobicContact CG1-CG 4.49Å; V849-M882 HydrophobicContact CG1-SD 3.64Å |
| 850 | M | 95.4 | Very high | 96.6 | Very high | 18 Ų | 18 | 14.6 Ų | 14.6 | 9% | 0.089 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66 | -31.2 | 173.6 | -71.6 | -172.9 | 65.7 | 0 | 0 | 112.5 | M1 F802 Q806 F846 I848 S853 N854 M882 F905 | M1-M850 HydrophobicContact SD-CE 3.66Å; M1-M850 HydrophobicContact SD-SD 4.22Å; F802-M850 HydrophobicContact CE1-SD 3.88Å; F802-M850 HydrophobicContact CZ-CG 4.49Å; F802-M850 HydrophobicContact CZ-SD 3.56Å; F802-M850 VanDerWaalsContact CZ-SD 3.56Å; Q806-M850 HydrophobicContact CG-CB 4.28Å; F846-M850 WeakPolarHBondContact O-CB 3.35Å; F846-M850 VanDerWaalsContact O-CG 3.3Å; F846-M850 WeakPolarHBondContact O-CG 3.41Å; F846-M850 PolarHBondContact O-N 2.65Å; I848-M850 VanDerWaalsContact C-N 3.34Å; I848-M850 PolarHBondContact O-N 2.93Å; M850-S853 PolarHBondContact O-N 2.96Å; M850-N854 PolarHBondContact O-N 3.37Å; M850-N854 VanDerWaalsContact O-N 3.1Å; M850-M882 HydrophobicContact CG-SD 3.62Å; M850-F905 HydrophobicContact SD-CE2 4.44Å; M850-F905 HydrophobicContact SD-CZ 4.16Å |
| 851 | G | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.6 | -43.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | V810 A847 I848 V849 S853 N854 | V810-G851 WeakPolarHBondContact CG2-O 3.48Å; A847-G851 PolarHBondContact O-N 2.74Å; I848-G851 WeakPolarHBondContact O-CA 3.14Å; I848-G851 PolarHBondContact O-N 2.79Å; I848-G851 VanDerWaalsContact O-N 3.09Å; V849-G851 VanDerWaalsContact C-N 3.29Å; V849-G851 PolarHBondContact O-N 3.38Å; G851-S853 VanDerWaalsContact C-N 3.31Å; G851-S853 PolarHBondContact O-N 3Å; G851-N854 WeakPolarHBondContact O-CB 3.35Å; G851-N854 PolarHBondContact O-N 3.42Å |
| 852 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -66.9 | -32.5 | 175.3 | -66.1 | 174.4 | 0 | 0 | 0 | 112.8 | V809 I813 L826 F829 I830 I848 V849 N854 V857 W864 Y875 | V809-L852 HydrophobicContact CG1-CD2 3.78Å; V809-L852 HydrophobicContact CG1-CG 4.08Å; I813-L852 HydrophobicContact CD1-CD2 3.88Å; L826-L852 HydrophobicContact CD2-CD2 3.68Å; F829-L852 HydrophobicContact CB-CD1 4.45Å; F829-L852 HydrophobicContact CB-CD2 4.17Å; I830-L852 HydrophobicContact CG1-CD1 3.79Å; I848-L852 HydrophobicContact CG2-CD1 4.34Å; I848-L852 WeakPolarHBondContact O-CG 3.4Å; I848-L852 PolarHBondContact O-N 3.34Å; V849-L852 PolarHBondContact O-N 3.33Å; L852-N854 VanDerWaalsContact C-N 3.29Å; L852-V857 WeakPolarHBondContact O-CB 3.36Å; L852-V857 WeakPolarHBondContact O-CG1 3.23Å; L852-W864 HydrophobicContact CB-CH2 4.32Å; L852-W864 HydrophobicContact CB-CZ2 4.4Å; L852-Y875 HydrophobicContact CB-CD2 4.39Å; L852-Y875 HydrophobicContact CB-CE2 3.55Å; L852-Y875 HydrophobicContact CD1-CD2 3.9Å; L852-Y875 HydrophobicContact CD1-CE2 3.87Å; L852-Y875 HydrophobicContact CG-CE2 4.38Å |
| 853 | S | 94.4 | Very high | 96.4 | Very high | 30 Ų | 30 | 19.4 Ų | 19.4 | 21% | 0.21 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -7.8 | 178.9 | -44.1 | 0 | 0 | 0 | 0 | 112.8 | V849 M850 G851 V855 Y875 | V849-S853 WeakPolarHBondContact O-CB 3.23Å; V849-S853 PolarHBondContact O-N 3.17Å; V849-S853 PolarHBondContact O-OG 3.02Å; M850-S853 PolarHBondContact O-N 2.96Å; G851-S853 VanDerWaalsContact C-N 3.31Å; G851-S853 PolarHBondContact O-N 3Å; S853-V855 PolarHBondContact O-N 3.02Å; S853-Y875 VanDerWaalsContact CA-OH 3.28Å; S853-Y875 WeakPolarHBondContact CA-OH 3.47Å; S853-Y875 WeakPolarHBondContact CB-OH 3.23Å; S853-Y875 PolarHBondContact N-OH 3.09Å; S853-Y875 PolarHBondContact OG-OH 3.25Å |
| 854 | N | 94.9 | Very high | 96.3 | Very high | 17 Ų | 17 | 21 Ų | 21 | 9% | 0.091 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -57.1 | 140.7 | 177.7 | -175.8 | -76.1 | 0 | 0 | 0 | 110.4 | V810 M850 G851 L852 A856 V857 S858 Q978 | V810-N854 HydrophobicContact CG2-CB 3.6Å; M850-N854 PolarHBondContact O-N 3.37Å; M850-N854 VanDerWaalsContact O-N 3.1Å; G851-N854 WeakPolarHBondContact O-CB 3.35Å; G851-N854 PolarHBondContact O-N 3.42Å; L852-N854 VanDerWaalsContact C-N 3.29Å; N854-A856 PolarHBondContact O-N 3.37Å; N854-A856 WeakPolarHBondContact OD1-CB 3.4Å; N854-A856 PolarHBondContact OD1-N 3.12Å; N854-V857 WeakPolarHBondContact O-CA 3.42Å; N854-V857 PolarHBondContact O-N 3.13Å; N854-S858 PolarHBondContact O-N 3.11Å; N854-S858 PolarHBondContact O-OG 3.4Å; N854-Q978 PolarHBondContact ND2-OE1 2.83Å; N854-Q978 PolarHBondContact OD1-NE2 3.24Å |
| 855 | V | 90.8 | Very high | 96.1 | Very high | 93 Ų | 93 | 27.4 Ų | 27.4 | 56% | 0.564 | 16% | 0.156 | S | C | * | . | H | α-helix | trans | -53.6 | -32.6 | -178 | 178.1 | 0 | 0 | 0 | 0 | 112.9 | S853 V857 S858 R859 | S853-V855 PolarHBondContact O-N 3.02Å; V855-V857 VanDerWaalsContact C-N 3.3Å; V855-V857 PolarHBondContact O-N 3.15Å; V855-S858 WeakPolarHBondContact CA-OG 3.2Å; V855-R859 WeakPolarHBondContact O-CB 3.27Å; V855-R859 PolarHBondContact O-NH1 3.08Å |
| 856 | A | 91.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.7 | -25.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V810 N854 L981 S985 | V810-A856 HydrophobicContact CG1-CB 4.01Å; N854-A856 PolarHBondContact O-N 3.37Å; N854-A856 WeakPolarHBondContact OD1-CB 3.4Å; N854-A856 PolarHBondContact OD1-N 3.12Å; A856-L981 HydrophobicContact CB-CB 4.27Å; A856-S985 WeakPolarHBondContact O-CB 3.46Å; A856-S985 PolarHBondContact O-OG 2.68Å |
| 857 | V | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -97.8 | -45.9 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | V810 I813 L826 L852 N854 V855 R859 L860 W864 | V810-V857 HydrophobicContact CB-CG2 4.35Å; V810-V857 HydrophobicContact CG1-CG2 4.03Å; V810-V857 HydrophobicContact CG2-CG2 4.22Å; I813-V857 HydrophobicContact CB-CG2 4.32Å; I813-V857 HydrophobicContact CD1-CG1 3.72Å; I813-V857 HydrophobicContact CD1-CG2 4Å; I813-V857 HydrophobicContact CG2-CG1 4.3Å; I813-V857 HydrophobicContact CG2-CG2 4.2Å; L826-V857 HydrophobicContact CD2-CG1 4.07Å; L852-V857 WeakPolarHBondContact O-CB 3.36Å; L852-V857 WeakPolarHBondContact O-CG1 3.23Å; N854-V857 WeakPolarHBondContact O-CA 3.42Å; N854-V857 PolarHBondContact O-N 3.13Å; V855-V857 VanDerWaalsContact C-N 3.3Å; V855-V857 PolarHBondContact O-N 3.15Å; V857-R859 VanDerWaalsContact C-N 3.25Å; V857-R859 PolarHBondContact O-N 2.95Å; V857-L860 WeakPolarHBondContact O-CB 3.3Å; V857-L860 PolarHBondContact O-N 3.38Å; V857-L860 VanDerWaalsContact O-N 3.11Å; V857-W864 HydrophobicContact CG1-CZ2 4.12Å; V857-W864 PolarHBondContact O-NE1 2.95Å |
| 858 | S | 93.9 | Very high | 95.9 | Very high | 61 Ų | 61 | 37 Ų | 37 | 43% | 0.427 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.8 | -28.5 | -176.4 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | N854 V855 L860 | N854-S858 PolarHBondContact O-N 3.11Å; N854-S858 PolarHBondContact O-OG 3.4Å; V855-S858 WeakPolarHBondContact CA-OG 3.2Å; S858-L860 VanDerWaalsContact C-N 3.28Å; S858-L860 PolarHBondContact O-N 2.89Å |
| 859 | R | 94.9 | Very high | 95.5 | Very high | 31 Ų | 31 | 41.7 Ų | 41.7 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -19.5 | 175.5 | -179.2 | 178.4 | 57 | -91.6 | -4 | 114.2 | V855 V857 A861 S982 S985 H986 | V855-R859 WeakPolarHBondContact O-CB 3.27Å; V855-R859 PolarHBondContact O-NH1 3.08Å; V857-R859 VanDerWaalsContact C-N 3.25Å; V857-R859 PolarHBondContact O-N 2.95Å; R859-A861 PolarHBondContact O-N 3.13Å; R859-S982 PolarHBondContact NH2-O 3.32Å; R859-S985 PolarHBondContact NH2-OG 2.8Å; R859-H986 VanDerWaalsContact CZ-CE1 3.44Å; R859-H986 PolarHBondContact NH2-ND1 2.84Å |
| 860 | L | 96.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | trans | -72.6 | 67.8 | -174.9 | -61.3 | 175.6 | 0 | 0 | 0 | 111.9 | I813 V857 S858 L862 T863 W864 S985 L988 E989 | I813-L860 HydrophobicContact CG2-CD1 3.73Å; V857-L860 WeakPolarHBondContact O-CB 3.3Å; V857-L860 PolarHBondContact O-N 3.38Å; V857-L860 VanDerWaalsContact O-N 3.11Å; S858-L860 VanDerWaalsContact C-N 3.28Å; S858-L860 PolarHBondContact O-N 2.89Å; L860-L862 VanDerWaalsContact C-N 3.3Å; L860-L862 PolarHBondContact O-N 3.45Å; L860-T863 WeakPolarHBondContact O-CB 3.23Å; L860-T863 PolarHBondContact O-N 2.94Å; L860-W864 VanDerWaalsContact O-CD1 3.27Å; L860-W864 PolarHBondContact O-N 3.19Å; L860-S985 WeakPolarHBondContact CD2-OG 3.39Å; L860-L988 HydrophobicContact CD2-CB 4.38Å; L860-E989 VanDerWaalsContact CA-OE2 3.28Å; L860-E989 WeakPolarHBondContact CA-OE2 3.21Å; L860-E989 HydrophobicContact CD2-CB 3.94Å; L860-E989 HydrophobicContact CD2-CG 3.89Å | ||
| 861 | A | 95.5 | Very high | 95.2 | Very high | 62 Ų | 62 | 48 Ų | 48 | 51% | 0.512 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -56.9 | -40.6 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R859 T863 W864 E865 E989 | R859-A861 PolarHBondContact O-N 3.13Å; A861-T863 VanDerWaalsContact C-N 3.27Å; A861-T863 PolarHBondContact O-N 3.48Å; A861-W864 PolarHBondContact O-N 3.27Å; A861-E865 VanDerWaalsContact O-CB 3.24Å; A861-E865 WeakPolarHBondContact O-CB 3.45Å; A861-E865 PolarHBondContact O-N 3Å; A861-E989 PolarHBondContact N-OE2 2.69Å |
| 862 | L | 96.4 | Very high | 94.8 | Very high | 92 Ų | 92 | 52 Ų | 52 | 48% | 0.482 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.6 | -32.1 | -179.9 | -56.3 | 175.3 | 0 | 0 | 0 | 111.5 | L819 L860 K866 E989 | L819-L862 HydrophobicContact CD1-CB 4.45Å; L860-L862 VanDerWaalsContact C-N 3.3Å; L860-L862 PolarHBondContact O-N 3.45Å; L862-K866 WeakPolarHBondContact O-CG 3.43Å; L862-E989 WeakPolarHBondContact CB-OE2 3.48Å; L862-E989 HydrophobicContact CD1-CG 4.31Å; L862-E989 PolarHBondContact N-OE2 3.25Å |
| 863 | T | 97.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -72.1 | -46.6 | 175.7 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | L819 R822 V823 L826 L860 A861 E989 | L819-T863 HydrophobicContact CD1-CG2 4.48Å; L819-T863 VanDerWaalsContact CD1-OG1 3.31Å; L819-T863 WeakPolarHBondContact CD1-OG1 3.43Å; R822-T863 HydrophobicContact CB-CG2 3.7Å; R822-T863 PolarHBondContact NE-OG1 3.43Å; R822-T863 VanDerWaalsContact NE-OG1 3.09Å; V823-T863 HydrophobicContact CG2-CG2 3.99Å; L826-T863 HydrophobicContact CD1-CG2 3.61Å; L826-T863 HydrophobicContact CG-CG2 4.13Å; L860-T863 WeakPolarHBondContact O-CB 3.23Å; L860-T863 PolarHBondContact O-N 2.94Å; A861-T863 VanDerWaalsContact C-N 3.27Å; A861-T863 PolarHBondContact O-N 3.48Å; T863-E989 PolarHBondContact N-OE1 3.33Å; T863-E989 PolarHBondContact OG1-OE1 2.93Å |
| 864 | W | 97.3 | Very high | 94.2 | Very high | 34 Ų | 34 | 58.6 Ų | 58.6 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.3 | -39.3 | 178.8 | -76.1 | 105.8 | 0 | 0 | 0 | 112.9 | L826 L852 V857 L860 A861 K866 L867 K872 Y875 | L826-W864 HydrophobicContact CD1-CD2 3.82Å; L826-W864 HydrophobicContact CD1-CE3 3.94Å; L826-W864 HydrophobicContact CD1-CG 4.3Å; L826-W864 HydrophobicContact CD1-CH2 4.47Å; L826-W864 HydrophobicContact CD1-CZ2 4.35Å; L826-W864 HydrophobicContact CD1-CZ3 4.27Å; L826-W864 HydrophobicContact CD2-CH2 4.19Å; L826-W864 HydrophobicContact CD2-CZ2 3.94Å; L852-W864 HydrophobicContact CB-CH2 4.32Å; L852-W864 HydrophobicContact CB-CZ2 4.4Å; V857-W864 HydrophobicContact CG1-CZ2 4.12Å; V857-W864 PolarHBondContact O-NE1 2.95Å; L860-W864 VanDerWaalsContact O-CD1 3.27Å; L860-W864 PolarHBondContact O-N 3.19Å; A861-W864 PolarHBondContact O-N 3.27Å; W864-K866 VanDerWaalsContact C-N 3.29Å; W864-K866 PolarHBondContact O-N 3.49Å; W864-L867 HydrophobicContact CE3-CD2 3.87Å; W864-L867 HydrophobicContact CZ3-CD2 3.84Å; W864-L867 VanDerWaalsContact O-CB 3.23Å; W864-L867 WeakPolarHBondContact O-CB 3.44Å; W864-L867 PolarHBondContact O-N 2.75Å; W864-L867 VanDerWaalsContact O-N 3.1Å; W864-K872 WeakPolarHBondContact O-CE 3.41Å; W864-Y875 AromaticContact CH2-CD1 3.61Å; W864-Y875 HydrophobicContact CH2-CD1 3.61Å; W864-Y875 HydrophobicContact CH2-CD2 4.25Å; W864-Y875 AromaticContact CH2-CE1 3.47Å; W864-Y875 HydrophobicContact CH2-CE1 3.47Å; W864-Y875 VanDerWaalsContact CH2-CE1 3.47Å; W864-Y875 HydrophobicContact CH2-CE2 4.17Å; W864-Y875 AromaticContact CH2-CG 3.98Å; W864-Y875 HydrophobicContact CH2-CG 3.98Å; W864-Y875 AromaticContact CH2-CZ 3.77Å; W864-Y875 HydrophobicContact CZ2-CE1 4.16Å; W864-Y875 AromaticContact CZ3-CD1 3.57Å; W864-Y875 HydrophobicContact CZ3-CD1 3.57Å; W864-Y875 AromaticContact CZ3-CE1 3.86Å; W864-Y875 HydrophobicContact CZ3-CE1 3.86Å; W864-Y875 HydrophobicContact CZ3-CG 4.01Å |
| 865 | E | 94.7 | Very high | 94.1 | Very high | 134 Ų | 134 | 58.8 Ų | 58.8 | 63% | 0.626 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.5 | -43.5 | 179.3 | -171.9 | -173.5 | 167.7 | 0 | 0 | 111.4 | A861 L867 K872 | A861-E865 VanDerWaalsContact O-CB 3.24Å; A861-E865 WeakPolarHBondContact O-CB 3.45Å; A861-E865 PolarHBondContact O-N 3Å; E865-L867 VanDerWaalsContact C-N 3.27Å; E865-L867 PolarHBondContact O-N 2.78Å; E865-K872 PolarHBondContact O-NZ 2.95Å |
| 866 | K | 97.3 | Very high | 94 | Very high | 137 Ų | 137 | 55.9 Ų | 55.9 | 60% | 0.596 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -4.7 | -179.8 | -68.6 | -169.7 | 178.5 | -159.9 | 0 | 114.8 | L819 V823 L862 W864 | L819-K866 HydrophobicContact CD2-CD 4.09Å; V823-K866 HydrophobicContact CG2-CB 3.89Å; L862-K866 WeakPolarHBondContact O-CG 3.43Å; W864-K866 VanDerWaalsContact C-N 3.29Å; W864-K866 PolarHBondContact O-N 3.49Å |
| 867 | L | 97.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -68.6 | 132.2 | 174.7 | -171.7 | 68.1 | 0 | 0 | 0 | 109.9 | V823 L826 K827 I830 W864 E865 S869 F871 K872 | V823-L867 HydrophobicContact CG1-CD1 4.34Å; L826-L867 HydrophobicContact CB-CD1 4Å; K827-L867 HydrophobicContact CB-CD1 4.23Å; I830-L867 HydrophobicContact CD1-CD2 3.85Å; W864-L867 HydrophobicContact CE3-CD2 3.87Å; W864-L867 HydrophobicContact CZ3-CD2 3.84Å; W864-L867 VanDerWaalsContact O-CB 3.23Å; W864-L867 WeakPolarHBondContact O-CB 3.44Å; W864-L867 PolarHBondContact O-N 2.75Å; W864-L867 VanDerWaalsContact O-N 3.1Å; E865-L867 VanDerWaalsContact C-N 3.27Å; E865-L867 PolarHBondContact O-N 2.78Å; L867-S869 PolarHBondContact O-N 2.99Å; L867-F871 HydrophobicContact CD1-CB 4.05Å; L867-F871 HydrophobicContact CD2-CB 4.01Å; L867-F871 HydrophobicContact CG-CB 3.94Å; L867-K872 HydrophobicContact CB-CG 4.22Å; L867-K872 HydrophobicContact CD2-CG 4.05Å; L867-K872 HydrophobicContact CG-CG 4.32Å; L867-K872 VanDerWaalsContact O-CE 3.23Å; L867-K872 WeakPolarHBondContact O-CE 3.39Å |
| 868 | P | 96.4 | Very high | 93.6 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 40% | 0.403 | 30% | 0.3 | S | S | . | . | trans | -58.6 | 139.7 | 177.7 | -23.9 | 33.6 | 0 | 0 | 0 | 112 | K870 F871 K872 | P868-K870 PolarHBondContact O-N 2.84Å; P868-K870 VanDerWaalsContact O-N 3.08Å; P868-F871 HydrophobicContact CB-CD2 4.17Å; P868-F871 HydrophobicContact CG-CD2 4.34Å; P868-F871 PolarHBondContact O-N 3.26Å; P868-K872 PolarHBondContact O-N 3.18Å | ||
| 869 | S | 89.1 | Confident | 93.3 | Very high | 98 Ų | 98 | 59.1 Ų | 59.1 | 69% | 0.685 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -51 | -37.8 | -175.2 | 55.2 | 0 | 0 | 0 | 0 | 113.7 | L867 F871 K872 K873 | L867-S869 PolarHBondContact O-N 2.99Å; S869-F871 VanDerWaalsContact C-N 3.27Å; S869-F871 PolarHBondContact O-N 3.3Å; S869-K872 WeakPolarHBondContact O-CB 3.46Å; S869-K872 PolarHBondContact O-N 3.38Å; S869-K873 PolarHBondContact O-N 2.97Å |
| 870 | K | 91.5 | Very high | 92.8 | Very high | 132 Ų | 132 | 58 Ų | 58 | 57% | 0.574 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -50.9 | -43.9 | 173.2 | -177.8 | 178.2 | -179.1 | 172.8 | 0 | 113.2 | P868 F874 | P868-K870 PolarHBondContact O-N 2.84Å; P868-K870 VanDerWaalsContact O-N 3.08Å; K870-F874 HydrophobicContact CG-CE2 4.16Å; K870-F874 HydrophobicContact CG-CZ 4.46Å; K870-F874 PolarHBondContact O-N 3.46Å |
| 871 | F | 95 | Very high | 92.5 | Very high | 19 Ų | 19 | 58.2 Ų | 58.2 | 8% | 0.083 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -82.7 | -29 | -178.3 | -66.8 | -78.3 | 0 | 0 | 0 | 112.5 | K827 I830 K831 L867 P868 S869 K873 F874 Y875 | K827-F871 HydrophobicContact CD-CD2 4.21Å; K827-F871 HydrophobicContact CD-CE2 3.73Å; K827-F871 HydrophobicContact CD-CZ 4Å; K827-F871 HydrophobicContact CG-CD1 4.13Å; K827-F871 HydrophobicContact CG-CD2 3.99Å; K827-F871 HydrophobicContact CG-CE1 3.87Å; K827-F871 HydrophobicContact CG-CE2 3.73Å; K827-F871 HydrophobicContact CG-CG 4.2Å; K827-F871 HydrophobicContact CG-CZ 3.67Å; I830-F871 HydrophobicContact CB-CD1 4.45Å; I830-F871 HydrophobicContact CD1-CB 4.15Å; I830-F871 HydrophobicContact CG2-CD1 3.99Å; K831-F871 HydrophobicContact CD-CE1 4.39Å; K831-F871 HydrophobicContact CG-CE1 3.85Å; L867-F871 HydrophobicContact CD1-CB 4.05Å; L867-F871 HydrophobicContact CD2-CB 4.01Å; L867-F871 HydrophobicContact CG-CB 3.94Å; P868-F871 HydrophobicContact CB-CD2 4.17Å; P868-F871 HydrophobicContact CG-CD2 4.34Å; P868-F871 PolarHBondContact O-N 3.26Å; S869-F871 VanDerWaalsContact C-N 3.27Å; S869-F871 PolarHBondContact O-N 3.3Å; F871-K873 VanDerWaalsContact C-N 3.32Å; F871-F874 HydrophobicContact CD1-CD2 4.17Å; F871-F874 HydrophobicContact CE1-CD2 4.46Å; F871-F874 PolarHBondContact O-N 3.45Å; F871-Y875 WeakPolarHBondContact O-CB 3.33Å; F871-Y875 PolarHBondContact O-N 3.21Å |
| 872 | K | 90.4 | Very high | 92.1 | Very high | 84 Ų | 84 | 56.4 Ų | 56.4 | 37% | 0.365 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 167.8 | -67.8 | -178 | 177.2 | 172.7 | 0 | 110.5 | W864 E865 L867 P868 S869 Y875 A876 | W864-K872 WeakPolarHBondContact O-CE 3.41Å; E865-K872 PolarHBondContact O-NZ 2.95Å; L867-K872 HydrophobicContact CB-CG 4.22Å; L867-K872 HydrophobicContact CD2-CG 4.05Å; L867-K872 HydrophobicContact CG-CG 4.32Å; L867-K872 VanDerWaalsContact O-CE 3.23Å; L867-K872 WeakPolarHBondContact O-CE 3.39Å; P868-K872 PolarHBondContact O-N 3.18Å; S869-K872 WeakPolarHBondContact O-CB 3.46Å; S869-K872 PolarHBondContact O-N 3.38Å; K872-Y875 PolarHBondContact O-N 2.97Å; K872-A876 PolarHBondContact O-N 2.86Å |
| 873 | K | 87.3 | Confident | 91.4 | Very high | 96 Ų | 96 | 53.1 Ų | 53.1 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.3 | -49.3 | 176.4 | -172.8 | 178.1 | 179.2 | -179 | 0 | 112.3 | S869 F871 Y875 A876 E877 | S869-K873 PolarHBondContact O-N 2.97Å; F871-K873 VanDerWaalsContact C-N 3.32Å; K873-Y875 VanDerWaalsContact C-N 3.31Å; K873-Y875 PolarHBondContact O-N 2.94Å; K873-A876 PolarHBondContact O-N 3.08Å; K873-E877 WeakPolarHBondContact CE-OE1 3.49Å; K873-E877 WeakPolarHBondContact O-CG 3.39Å; K873-E877 PolarHBondContact O-N 2.87Å |
| 874 | F | 91.9 | Very high | 90.6 | Very high | 73 Ų | 73 | 56.9 Ų | 56.9 | 32% | 0.32 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 176.1 | -73.1 | -25.1 | 0 | 0 | 0 | 112.9 | I830 K870 F871 E877 F878 | I830-F874 HydrophobicContact CG2-CB 4.01Å; K870-F874 HydrophobicContact CG-CE2 4.16Å; K870-F874 HydrophobicContact CG-CZ 4.46Å; K870-F874 PolarHBondContact O-N 3.46Å; F871-F874 HydrophobicContact CD1-CD2 4.17Å; F871-F874 HydrophobicContact CE1-CD2 4.46Å; F871-F874 PolarHBondContact O-N 3.45Å; F874-E877 PolarHBondContact O-N 3.45Å; F874-F878 HydrophobicContact CB-CZ 4.36Å; F874-F878 WeakPolarHBondContact O-CD1 3.4Å; F874-F878 WeakPolarHBondContact O-CG 3.47Å; F874-F878 PolarHBondContact O-N 3.29Å |
| 875 | Y | 93.4 | Very high | 89.8 | Confident | 20 Ų | 20 | 57.3 Ų | 57.3 | 8% | 0.078 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 179 | 178.7 | -112 | 0 | 0 | 0 | 112.3 | V849 L852 S853 W864 F871 K872 K873 E877 F878 E879 | V849-Y875 HydrophobicContact CG1-CE2 4.07Å; L852-Y875 HydrophobicContact CB-CD2 4.39Å; L852-Y875 HydrophobicContact CB-CE2 3.55Å; L852-Y875 HydrophobicContact CD1-CD2 3.9Å; L852-Y875 HydrophobicContact CD1-CE2 3.87Å; L852-Y875 HydrophobicContact CG-CE2 4.38Å; S853-Y875 VanDerWaalsContact CA-OH 3.28Å; S853-Y875 WeakPolarHBondContact CA-OH 3.47Å; S853-Y875 WeakPolarHBondContact CB-OH 3.23Å; S853-Y875 PolarHBondContact N-OH 3.09Å; S853-Y875 PolarHBondContact OG-OH 3.25Å; W864-Y875 AromaticContact CH2-CD1 3.61Å; W864-Y875 HydrophobicContact CH2-CD1 3.61Å; W864-Y875 HydrophobicContact CH2-CD2 4.25Å; W864-Y875 AromaticContact CH2-CE1 3.47Å; W864-Y875 HydrophobicContact CH2-CE1 3.47Å; W864-Y875 VanDerWaalsContact CH2-CE1 3.47Å; W864-Y875 HydrophobicContact CH2-CE2 4.17Å; W864-Y875 AromaticContact CH2-CG 3.98Å; W864-Y875 HydrophobicContact CH2-CG 3.98Å; W864-Y875 AromaticContact CH2-CZ 3.77Å; W864-Y875 HydrophobicContact CZ2-CE1 4.16Å; W864-Y875 AromaticContact CZ3-CD1 3.57Å; W864-Y875 HydrophobicContact CZ3-CD1 3.57Å; W864-Y875 AromaticContact CZ3-CE1 3.86Å; W864-Y875 HydrophobicContact CZ3-CE1 3.86Å; W864-Y875 HydrophobicContact CZ3-CG 4.01Å; F871-Y875 WeakPolarHBondContact O-CB 3.33Å; F871-Y875 PolarHBondContact O-N 3.21Å; K872-Y875 PolarHBondContact O-N 2.97Å; K873-Y875 VanDerWaalsContact C-N 3.31Å; K873-Y875 PolarHBondContact O-N 2.94Å; Y875-E877 VanDerWaalsContact C-N 3.32Å; Y875-E877 PolarHBondContact O-N 3.18Å; Y875-F878 CarbonylContact O-C 3.58Å; Y875-F878 WeakPolarHBondContact O-CA 3.29Å; Y875-F878 WeakPolarHBondContact O-CB 3.33Å; Y875-F878 PolarHBondContact O-N 3.27Å; Y875-E879 PolarHBondContact O-N 3.08Å |
| 876 | A | 87.7 | Confident | 89.1 | Confident | 33 Ų | 33 | 53.2 Ų | 53.2 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | Q295 K872 K873 F878 E879 S880 | Q295-A876 HydrophobicContact CG-CB 4.44Å; K872-A876 PolarHBondContact O-N 2.86Å; K873-A876 PolarHBondContact O-N 3.08Å; A876-F878 VanDerWaalsContact C-N 3.33Å; A876-F878 PolarHBondContact O-N 2.85Å; A876-E879 PolarHBondContact O-N 3.33Å; A876-S880 PolarHBondContact O-N 3.17Å |
| 877 | E | 87.9 | Confident | 88.6 | Confident | 30 Ų | 30 | 50.2 Ų | 50.2 | 14% | 0.14 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 171.2 | -73.3 | 171.7 | -162.9 | 0 | 0 | 111.2 | P232 K873 F874 Y875 E879 S880 L881 | P232-E877 HydrophobicContact CG-CB 4.39Å; P232-E877 HydrophobicContact CG-CG 4.03Å; K873-E877 WeakPolarHBondContact CE-OE1 3.49Å; K873-E877 WeakPolarHBondContact O-CG 3.39Å; K873-E877 PolarHBondContact O-N 2.87Å; F874-E877 PolarHBondContact O-N 3.45Å; Y875-E877 VanDerWaalsContact C-N 3.32Å; Y875-E877 PolarHBondContact O-N 3.18Å; E877-E879 PolarHBondContact O-N 3.29Å; E877-S880 PolarHBondContact O-N 3.16Å; E877-S880 PolarHBondContact O-OG 2.76Å; E877-L881 WeakPolarHBondContact O-CD1 3.5Å |
| 878 | F | 92.8 | Very high | 88.1 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 4% | 0.044 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.8 | -39.6 | 178.3 | -62.6 | -9.7 | 0 | 0 | 0 | 112.7 | I830 A833 A834 F845 V849 F874 Y875 A876 S880 L881 | I830-F878 HydrophobicContact CG2-CE2 3.93Å; A833-F878 HydrophobicContact CB-CD2 4.34Å; A833-F878 HydrophobicContact CB-CE2 4.03Å; A834-F878 HydrophobicContact CB-CE2 4.47Å; A834-F878 HydrophobicContact CB-CZ 3.89Å; F845-F878 HydrophobicContact CE2-CB 3.97Å; F845-F878 AromaticContact CE2-CD1 3.66Å; F845-F878 HydrophobicContact CE2-CD1 3.66Å; F845-F878 AromaticContact CE2-CD2 3.72Å; F845-F878 HydrophobicContact CE2-CD2 3.72Å; F845-F878 HydrophobicContact CE2-CE1 4.03Å; F845-F878 HydrophobicContact CE2-CE2 4.07Å; F845-F878 AromaticContact CE2-CG 3.5Å; F845-F878 HydrophobicContact CE2-CG 3.5Å; F845-F878 HydrophobicContact CE2-CZ 4.22Å; F845-F878 HydrophobicContact CZ-CB 3.71Å; F845-F878 AromaticContact CZ-CD1 3.8Å; F845-F878 HydrophobicContact CZ-CD1 3.8Å; F845-F878 HydrophobicContact CZ-CD2 4.34Å; F845-F878 AromaticContact CZ-CG 3.7Å; F845-F878 HydrophobicContact CZ-CG 3.7Å; V849-F878 HydrophobicContact CG1-CB 4.16Å; V849-F878 HydrophobicContact CG2-CB 3.8Å; V849-F878 HydrophobicContact CG2-CD2 4.05Å; V849-F878 HydrophobicContact CG2-CG 4.3Å; F874-F878 HydrophobicContact CB-CZ 4.36Å; F874-F878 WeakPolarHBondContact O-CD1 3.4Å; F874-F878 WeakPolarHBondContact O-CG 3.47Å; F874-F878 PolarHBondContact O-N 3.29Å; Y875-F878 CarbonylContact O-C 3.58Å; Y875-F878 WeakPolarHBondContact O-CA 3.29Å; Y875-F878 WeakPolarHBondContact O-CB 3.33Å; Y875-F878 PolarHBondContact O-N 3.27Å; A876-F878 VanDerWaalsContact C-N 3.33Å; A876-F878 PolarHBondContact O-N 2.85Å; F878-S880 VanDerWaalsContact C-N 3.34Å; F878-L881 PolarHBondContact O-N 3.42Å |
| 879 | E | 88.1 | Confident | 87.7 | Confident | 89 Ų | 89 | 49.9 Ų | 49.9 | 42% | 0.416 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 178.8 | -143.8 | 178.9 | 166.7 | 0 | 0 | 111.4 | Y875 A876 E877 L881 M882 | Y875-E879 PolarHBondContact O-N 3.08Å; A876-E879 PolarHBondContact O-N 3.33Å; E877-E879 PolarHBondContact O-N 3.29Å; E879-L881 PolarHBondContact O-N 2.94Å; E879-M882 HydrophobicContact CG-CE 3.77Å; E879-M882 WeakPolarHBondContact O-CB 3.11Å; E879-M882 PolarHBondContact O-N 3.39Å |
| 880 | S | 85.8 | Confident | 87.6 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.1 | -26.7 | 175.8 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | A876 E877 F878 M882 D883 | A876-S880 PolarHBondContact O-N 3.17Å; E877-S880 PolarHBondContact O-N 3.16Å; E877-S880 PolarHBondContact O-OG 2.76Å; F878-S880 VanDerWaalsContact C-N 3.34Å; S880-M882 PolarHBondContact O-N 3.14Å; S880-D883 WeakPolarHBondContact O-CB 3.4Å; S880-D883 PolarHBondContact O-N 3.27Å |
| 881 | L | 89.1 | Confident | 87.7 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -18.9 | 173.7 | -84.2 | 84.9 | 0 | 0 | 0 | 112.9 | F845 F846 E877 F878 E879 D883 T894 | F845-L881 HydrophobicContact CE1-CD2 4.42Å; F846-L881 HydrophobicContact CE1-CB 4.05Å; F846-L881 HydrophobicContact CZ-CB 4.11Å; E877-L881 WeakPolarHBondContact O-CD1 3.5Å; F878-L881 PolarHBondContact O-N 3.42Å; E879-L881 PolarHBondContact O-N 2.94Å; L881-D883 VanDerWaalsContact C-N 3.35Å; L881-T894 HydrophobicContact CD2-CG2 4.05Å |
| 882 | M | 86 | Confident | 87.5 | Confident | 24 Ų | 24 | 43.8 Ų | 43.8 | 12% | 0.118 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -4.4 | 177.6 | -61.9 | -166.9 | -53.7 | 0 | 0 | 113.4 | F846 V849 M850 E879 S880 P884 H888 | F846-M882 HydrophobicContact CD1-CG 3.41Å; F846-M882 VanDerWaalsContact CD1-CG 3.41Å; F846-M882 HydrophobicContact CD1-SD 3.92Å; F846-M882 HydrophobicContact CE1-CB 4.44Å; F846-M882 HydrophobicContact CE1-CG 3.41Å; F846-M882 VanDerWaalsContact CE1-CG 3.41Å; V849-M882 HydrophobicContact CB-SD 4.11Å; V849-M882 HydrophobicContact CG1-CE 3.5Å; V849-M882 VanDerWaalsContact CG1-CE 3.5Å; V849-M882 HydrophobicContact CG1-CG 4.49Å; V849-M882 HydrophobicContact CG1-SD 3.64Å; M850-M882 HydrophobicContact CG-SD 3.62Å; E879-M882 HydrophobicContact CG-CE 3.77Å; E879-M882 WeakPolarHBondContact O-CB 3.11Å; E879-M882 PolarHBondContact O-N 3.39Å; S880-M882 PolarHBondContact O-N 3.14Å; M882-P884 WeakPolarHBondContact O-CD 3.26Å; M882-P884 VanDerWaalsContact O-N 3.14Å; M882-H888 PolarHBondContact O-ND1 3.17Å |
| 883 | D | 82.2 | Confident | 87.4 | Confident | 23 Ų | 23 | 41.7 Ų | 41.7 | 12% | 0.123 | 21% | 0.21 | C | C | . | . | trans | -50.8 | 118.5 | -177 | -178.8 | 6.1 | 0 | 0 | 0 | 110.9 | L299 Q303 S880 L881 S885 H888 | L299-D883 HydrophobicContact CD1-CB 4.43Å; Q303-D883 PolarHBondContact NE2-OD2 3.01Å; S880-D883 WeakPolarHBondContact O-CB 3.4Å; S880-D883 PolarHBondContact O-N 3.27Å; L881-D883 VanDerWaalsContact C-N 3.35Å; D883-S885 PolarHBondContact O-N 2.84Å; D883-S885 WeakPolarHBondContact OD1-CB 3.49Å; D883-S885 PolarHBondContact OD1-N 3.46Å; D883-S885 PolarHBondContact OD1-OG 3.12Å; D883-S885 WeakPolarHBondContact OD2-CB 3.12Å; D883-S885 PolarHBondContact OD2-OG 3.23Å; D883-H888 WeakPolarHBondContact O-CA 3.27Å; D883-H888 PolarHBondContact O-ND1 3.41Å | ||
| 884 | P | 82.2 | Confident | 87.4 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 51% | 0.513 | 20% | 0.196 | S | C | . | . | trans | -74 | -12.1 | -179.7 | 31.3 | -36.6 | 0 | 0 | 0 | 113.7 | M882 N887 H888 | M882-P884 WeakPolarHBondContact O-CD 3.26Å; M882-P884 VanDerWaalsContact O-N 3.14Å; P884-N887 PolarHBondContact O-N 2.89Å; P884-H888 PolarHBondContact O-N 3.39Å; P884-H888 VanDerWaalsContact O-N 3.14Å | ||
| 885 | S | 78.7 | Confident | 87.4 | Confident | 43 Ų | 43 | 35 Ų | 35 | 30% | 0.301 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -53.5 | 140.6 | -177.3 | -58.8 | 0 | 0 | 0 | 0 | 111.9 | D883 N887 H888 R889 | D883-S885 PolarHBondContact O-N 2.84Å; D883-S885 WeakPolarHBondContact OD1-CB 3.49Å; D883-S885 PolarHBondContact OD1-N 3.46Å; D883-S885 PolarHBondContact OD1-OG 3.12Å; D883-S885 WeakPolarHBondContact OD2-CB 3.12Å; D883-S885 PolarHBondContact OD2-OG 3.23Å; S885-N887 PolarHBondContact O-N 3.03Å; S885-H888 PolarHBondContact O-N 3.22Å; S885-R889 PolarHBondContact O-N 2.89Å |
| 886 | R | 81.6 | Confident | 87.3 | Confident | 48 Ų | 48 | 37.9 Ų | 37.9 | 18% | 0.181 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | 51.4 | 44 | 179.7 | -65.4 | 146.3 | 167.1 | -78.5 | -1.8 | 112.3 | Q303 P306 D307 E332 H335 R889 | Q303-R886 PolarHBondContact O-NE 3.42Å; Q303-R886 PolarHBondContact O-NH2 3.48Å; P306-R886 VanDerWaalsContact CG-CZ 3.48Å; D307-R886 VanDerWaalsContact N-NH2 3.18Å; E332-R886 IonicContact OE1-CZ 2.67Å; E332-R886 IonicContact OE1-NH1 2.74Å; E332-R886 PolarHBondContact OE1-NH1 2.94Å; E332-R886 IonicContact OE1-NH2 2.75Å; E332-R886 IonicContact OE2-CZ 3.93Å; E332-R886 IonicContact OE2-NH1 3.65Å; E332-R886 PolarHBondContact OE2-NH1 3.47Å; E332-R886 IonicContact OE2-NH2 2.84Å; E332-R886 PolarHBondContact OE2-NH2 2.98Å; H335-R886 VanDerWaalsContact CE1-C 3.49Å; H335-R886 PolarHBondContact CE1-O 2.85Å; R886-R889 HydrophobicContact CB-CB 4.04Å |
| 887 | N | 85.9 | Confident | 87.3 | Confident | 74 Ų | 74 | 42.2 Ų | 42.2 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | 56.5 | 53.5 | -178.3 | -171.1 | 17.4 | 0 | 0 | 0 | 113.4 | P884 S885 R889 R892 | P884-N887 PolarHBondContact O-N 2.89Å; S885-N887 PolarHBondContact O-N 3.03Å; N887-R889 PolarHBondContact O-N 3.03Å; N887-R892 PolarHBondContact ND2-NH2 3.44Å; N887-R892 VanDerWaalsContact ND2-NH2 3.13Å; N887-R892 PolarHBondContact O-NE 2.78Å; N887-R892 PolarHBondContact OD1-NH2 3.34Å; N887-R892 VanDerWaalsContact OD1-NH2 3.11Å |
| 888 | H | 87.9 | Confident | 87.5 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 1% | 0.014 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | 58.1 | 44 | 179.5 | -64.8 | -89 | 0 | 0 | 0 | 113.7 | M882 D883 P884 S885 A890 Y891 R892 L908 | M882-H888 PolarHBondContact O-ND1 3.17Å; D883-H888 WeakPolarHBondContact O-CA 3.27Å; D883-H888 PolarHBondContact O-ND1 3.41Å; P884-H888 PolarHBondContact O-N 3.39Å; P884-H888 VanDerWaalsContact O-N 3.14Å; S885-H888 PolarHBondContact O-N 3.22Å; H888-A890 VanDerWaalsContact C-N 3.29Å; H888-A890 PolarHBondContact O-N 3.47Å; H888-Y891 PolarHBondContact O-N 3.47Å; H888-R892 WeakPolarHBondContact O-CG 3.44Å; H888-R892 PolarHBondContact O-N 3.14Å; H888-L908 HydrophobicContact CB-CD1 4.46Å; H888-L908 HydrophobicContact CB-CD2 3.58Å; H888-L908 WeakPolarHBondContact CD2-CD1 3.34Å |
| 889 | R | 87.3 | Confident | 87.5 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 21% | 0.211 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.2 | -41.6 | -176.7 | -176.7 | 177.3 | 178.6 | 85.9 | -2.3 | 112.7 | E331 S885 R886 N887 Y891 R892 L893 | E331-R889 IonicContact OE2-CZ 3.56Å; E331-R889 VanDerWaalsContact OE2-CZ 3.32Å; E331-R889 IonicContact OE2-NH1 3.58Å; E331-R889 PolarHBondContact OE2-NH1 3.24Å; E331-R889 IonicContact OE2-NH2 2.69Å; E331-R889 PolarHBondContact OE2-NH2 3.01Å; S885-R889 PolarHBondContact O-N 2.89Å; R886-R889 HydrophobicContact CB-CB 4.04Å; N887-R889 PolarHBondContact O-N 3.03Å; R889-Y891 PolarHBondContact O-N 3Å; R889-R892 PolarHBondContact O-N 3.03Å; R889-L893 HydrophobicContact CG-CD1 3.82Å; R889-L893 HydrophobicContact CG-CG 4.05Å; R889-L893 WeakPolarHBondContact O-CB 3.47Å; R889-L893 WeakPolarHBondContact O-CG 3.36Å; R889-L893 PolarHBondContact O-N 3.46Å |
| 890 | A | 87.8 | Confident | 87.8 | Confident | 23 Ų | 23 | 44.7 Ų | 44.7 | 19% | 0.19 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.5 | -46.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H888 T894 | H888-A890 VanDerWaalsContact C-N 3.29Å; H888-A890 PolarHBondContact O-N 3.47Å; A890-T894 WeakPolarHBondContact O-CB 3.21Å; A890-T894 PolarHBondContact O-N 3.26Å; A890-T894 VanDerWaalsContact O-N 3.08Å; A890-T894 PolarHBondContact O-OG1 3.26Å |
| 891 | Y | 91.9 | Very high | 88.3 | Confident | 12 Ų | 12 | 45.4 Ų | 45.4 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -48.2 | 173.4 | 164.9 | -101.1 | 0 | 0 | 0 | 111.9 | L842 F846 H888 R889 L893 T894 V895 F905 L908 | L842-Y891 HydrophobicContact CD1-CE2 3.98Å; F846-Y891 AromaticContact CE2-CD2 3.5Å; F846-Y891 HydrophobicContact CE2-CD2 3.5Å; F846-Y891 AromaticContact CE2-CE2 3.82Å; F846-Y891 HydrophobicContact CE2-CE2 3.82Å; F846-Y891 AromaticContact CZ-CD2 3.83Å; F846-Y891 HydrophobicContact CZ-CD2 3.83Å; H888-Y891 PolarHBondContact O-N 3.47Å; R889-Y891 PolarHBondContact O-N 3Å; Y891-L893 PolarHBondContact O-N 2.92Å; Y891-T894 WeakPolarHBondContact O-CB 3.35Å; Y891-T894 PolarHBondContact O-N 3.49Å; Y891-T894 VanDerWaalsContact O-N 3.13Å; Y891-V895 HydrophobicContact CD2-CG2 3.81Å; Y891-V895 HydrophobicContact CE1-CG2 4.12Å; Y891-V895 HydrophobicContact CE2-CG2 3.33Å; Y891-V895 HydrophobicContact CG-CG2 4.41Å; Y891-V895 WeakPolarHBondContact O-CG2 3.36Å; Y891-V895 PolarHBondContact O-N 3.47Å; Y891-F905 HydrophobicContact CD2-CB 4.24Å; Y891-F905 HydrophobicContact CE1-CB 4.45Å; Y891-F905 HydrophobicContact CE2-CB 3.49Å; Y891-F905 VanDerWaalsContact CE2-CB 3.49Å; Y891-F905 PolarHBondContact OH-N 3.33Å; Y891-L908 HydrophobicContact CD1-CD2 3.39Å; Y891-L908 HydrophobicContact CE1-CD2 3.66Å; Y891-L908 HydrophobicContact CG-CD2 4.16Å |
| 892 | R | 91.3 | Very high | 88.7 | Confident | 85 Ų | 85 | 45 Ų | 45 | 32% | 0.321 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.4 | -42.9 | -176.9 | -67.1 | -172.3 | -168.7 | -81.8 | -4.1 | 112 | N887 H888 R889 T894 V895 A896 D912 | N887-R892 PolarHBondContact ND2-NH2 3.44Å; N887-R892 VanDerWaalsContact ND2-NH2 3.13Å; N887-R892 PolarHBondContact O-NE 2.78Å; N887-R892 PolarHBondContact OD1-NH2 3.34Å; N887-R892 VanDerWaalsContact OD1-NH2 3.11Å; H888-R892 WeakPolarHBondContact O-CG 3.44Å; H888-R892 PolarHBondContact O-N 3.14Å; R889-R892 PolarHBondContact O-N 3.03Å; R892-T894 VanDerWaalsContact C-N 3.34Å; R892-V895 PolarHBondContact O-N 3.08Å; R892-A896 WeakPolarHBondContact O-CB 3.49Å; R892-A896 PolarHBondContact O-N 3.12Å; R892-D912 IonicContact CZ-OD1 3.12Å; R892-D912 IonicContact CZ-OD2 2.65Å; R892-D912 IonicContact NH1-OD2 4Å; R892-D912 PolarHBondContact NH1-OD2 3.17Å; R892-D912 IonicContact NH2-OD1 3.74Å; R892-D912 PolarHBondContact NH2-OD1 2.89Å; R892-D912 IonicContact NH2-OD2 3.32Å; R892-D912 PolarHBondContact NH2-OD2 2.75Å |
| 893 | L | 87.7 | Confident | 89.3 | Confident | 41 Ų | 41 | 43.9 Ų | 43.9 | 22% | 0.215 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.5 | -36.9 | 175.1 | -68.9 | 177.2 | 0 | 0 | 0 | 112.4 | H235 R889 Y891 | H235-L893 HydrophobicContact CB-CB 4.39Å; H235-L893 HydrophobicContact CB-CD1 4.3Å; R889-L893 HydrophobicContact CG-CD1 3.82Å; R889-L893 HydrophobicContact CG-CG 4.05Å; R889-L893 WeakPolarHBondContact O-CB 3.47Å; R889-L893 WeakPolarHBondContact O-CG 3.36Å; R889-L893 PolarHBondContact O-N 3.46Å; Y891-L893 PolarHBondContact O-N 2.92Å |
| 894 | T | 89.1 | Confident | 90 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 13% | 0.129 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.6 | -49.6 | 174.4 | -61.5 | 0 | 0 | 0 | 0 | 110.5 | H235 L881 A890 Y891 R892 K897 L898 | H235-T894 PolarHBondContact NE2-OG1 3.12Å; L881-T894 HydrophobicContact CD2-CG2 4.05Å; A890-T894 WeakPolarHBondContact O-CB 3.21Å; A890-T894 PolarHBondContact O-N 3.26Å; A890-T894 VanDerWaalsContact O-N 3.08Å; A890-T894 PolarHBondContact O-OG1 3.26Å; Y891-T894 WeakPolarHBondContact O-CB 3.35Å; Y891-T894 PolarHBondContact O-N 3.49Å; Y891-T894 VanDerWaalsContact O-N 3.13Å; R892-T894 VanDerWaalsContact C-N 3.34Å; T894-K897 PolarHBondContact O-N 3.38Å; T894-L898 WeakPolarHBondContact O-CG 3.37Å |
| 895 | V | 92 | Very high | 90.7 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.2 | -37.3 | -177.2 | 175.8 | 0 | 0 | 0 | 0 | 112.5 | L842 Y891 R892 K897 L898 L902 Y946 | L842-V895 HydrophobicContact CD1-CG2 3.42Å; L842-V895 VanDerWaalsContact CD1-CG2 3.42Å; Y891-V895 HydrophobicContact CD2-CG2 3.81Å; Y891-V895 HydrophobicContact CE1-CG2 4.12Å; Y891-V895 HydrophobicContact CE2-CG2 3.33Å; Y891-V895 HydrophobicContact CG-CG2 4.41Å; Y891-V895 WeakPolarHBondContact O-CG2 3.36Å; Y891-V895 PolarHBondContact O-N 3.47Å; R892-V895 PolarHBondContact O-N 3.08Å; V895-K897 PolarHBondContact O-N 2.88Å; V895-K897 VanDerWaalsContact O-N 3.1Å; V895-L898 PolarHBondContact O-N 3.16Å; V895-L902 HydrophobicContact CG1-CD1 4.32Å; V895-Y946 HydrophobicContact CG1-CE1 3.84Å; V895-Y946 WeakPolarHBondContact CG1-OH 3.41Å |
| 896 | A | 89.4 | Confident | 91.5 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 67% | 0.669 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -60.8 | -19.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R892 | R892-A896 WeakPolarHBondContact O-CB 3.49Å; R892-A896 PolarHBondContact O-N 3.12Å |
| 897 | K | 89.1 | Confident | 92.1 | Very high | 123 Ų | 123 | 35.7 Ų | 35.7 | 54% | 0.535 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -6.7 | 175.8 | -67.6 | -179.9 | 173.4 | -169.6 | 0 | 114.1 | H235 T894 V895 | H235-K897 VanDerWaalsContact CA-NZ 3.27Å; H235-K897 PolarHBondContact O-NZ 2.75Å; T894-K897 PolarHBondContact O-N 3.38Å; V895-K897 PolarHBondContact O-N 2.88Å; V895-K897 VanDerWaalsContact O-N 3.1Å |
| 898 | L | 91.6 | Very high | 92.3 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 23% | 0.23 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 132.7 | -177.5 | -62.1 | 177.3 | 0 | 0 | 0 | 110.1 | K840 L842 T894 V895 L902 | K840-L898 HydrophobicContact CD-CD2 4.37Å; K840-L898 HydrophobicContact CG-CD2 4.37Å; L842-L898 HydrophobicContact CD1-CD1 3.99Å; T894-L898 WeakPolarHBondContact O-CG 3.37Å; V895-L898 PolarHBondContact O-N 3.16Å; L898-L902 HydrophobicContact CB-CD2 4.24Å |
| 899 | E | 92.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 32.8 Ų | 32.8 | 57% | 0.565 | 17% | 0.171 | S | C | * | . | P | Polyproline II helix | trans | -90.4 | 150.9 | 171.3 | -66.5 | -60.2 | 146.8 | 0 | 0 | 111.4 | K840 Y945 | K840-E899 PolarHBondContact NZ-O 3.42Å; E899-Y945 PolarHBondContact OE2-OH 3.28Å |
| 900 | P | 95.1 | Very high | 92.9 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 10% | 0.104 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -51.5 | 150.3 | 167.4 | -26.1 | 34.8 | 0 | 0 | 0 | 111.8 | Y945 Q949 | P900-Y945 WeakPolarHBondContact CB-O 3.03Å; P900-Y945 VanDerWaalsContact CD-OH 3.29Å; P900-Y945 WeakPolarHBondContact CD-OH 3.21Å; P900-Y945 HydrophobicContact CG-CD1 4.1Å; P900-Y945 HydrophobicContact CG-CD2 3.93Å; P900-Y945 HydrophobicContact CG-CE1 3.81Å; P900-Y945 HydrophobicContact CG-CE2 3.62Å; P900-Y945 HydrophobicContact CG-CG 4.17Å; P900-Y945 WeakPolarHBondContact CG-O 3.36Å; P900-Q949 HydrophobicContact CB-CB 4.1Å; P900-Q949 HydrophobicContact CB-CG 3.98Å |
| 901 | P | 96.1 | Very high | 92.9 | Very high | 22 Ų | 22 | 31 Ų | 31 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | S | Bend | cis | -73.9 | 136.5 | -1.7 | 30 | -36.4 | 0 | 0 | 0 | 112.3 | W767 K840 Q949 F951 | W767-P901 HydrophobicContact CH2-CB 3.8Å; W767-P901 HydrophobicContact CZ2-CB 3.49Å; W767-P901 VanDerWaalsContact CZ2-CB 3.49Å; K840-P901 WeakPolarHBondContact CE-O 3.5Å; K840-P901 PolarHBondContact NZ-O 3.1Å; P901-Q949 HydrophobicContact CB-CB 4.38Å; P901-Q949 WeakPolarHBondContact CB-O 3.39Å; P901-F951 HydrophobicContact CB-CB 4.35Å; P901-F951 HydrophobicContact CG-CD2 4.33Å |
| 902 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -147.4 | 152.9 | 171.3 | 75.2 | 106.1 | 0 | 0 | 0 | 112.6 | K840 V895 L898 P904 Y946 | K840-L902 HydrophobicContact CB-CB 3.86Å; K840-L902 WeakPolarHBondContact O-CA 3.3Å; V895-L902 HydrophobicContact CG1-CD1 4.32Å; L898-L902 HydrophobicContact CB-CD2 4.24Å; L902-P904 HydrophobicContact CD1-CB 4.49Å; L902-Y946 HydrophobicContact CD1-CD1 3.56Å; L902-Y946 HydrophobicContact CD1-CD2 4.08Å; L902-Y946 HydrophobicContact CD1-CE1 3.82Å; L902-Y946 HydrophobicContact CD1-CE2 4.3Å; L902-Y946 HydrophobicContact CD1-CG 3.69Å; L902-Y946 HydrophobicContact CD2-CD1 3.46Å; L902-Y946 VanDerWaalsContact CD2-CD1 3.46Å; L902-Y946 HydrophobicContact CD2-CE1 3.9Å; L902-Y946 HydrophobicContact CD2-CG 4.24Å; L902-Y946 HydrophobicContact CG-CD1 3.56Å; L902-Y946 HydrophobicContact CG-CE1 4.2Å; L902-Y946 HydrophobicContact CG-CG 3.81Å; L902-Y946 PolarHBondContact N-O 2.83Å; L902-Y946 VanDerWaalsContact N-O 3.07Å | ||
| 903 | I | 98.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | B | Isolated β-bridge | trans | -110.2 | 116.7 | 172.2 | -52.3 | -177.3 | 0 | 0 | 0 | 108.2 | D766 W767 F770 F798 K840 N841 L842 N843 | D766-I903 HydrophobicContact CB-CD1 3.7Å; W767-I903 HydrophobicContact CB-CD1 4.49Å; W767-I903 HydrophobicContact CD2-CD1 4.12Å; W767-I903 HydrophobicContact CD2-CG1 4.07Å; W767-I903 HydrophobicContact CG-CD1 3.88Å; W767-I903 HydrophobicContact CG-CG1 4.35Å; W767-I903 HydrophobicContact CZ2-CG1 3.93Å; F770-I903 HydrophobicContact CD1-CG1 4.28Å; F770-I903 HydrophobicContact CD1-CG2 4.38Å; F798-I903 HydrophobicContact CE1-CG2 4.42Å; F798-I903 HydrophobicContact CZ-CG2 3.66Å; K840-I903 PolarHBondContact O-N 3.41Å; N841-I903 HydrophobicContact CB-CD1 4.49Å; L842-I903 WeakPolarHBondContact CB-O 3.28Å; L842-I903 PolarHBondContact N-O 3.37Å; N843-I903 HydrophobicContact CB-CG2 3.72Å; N843-I903 PolarHBondContact N-O 3.06Å |
| 904 | P | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -76.6 | 170.6 | -174.1 | 34.8 | -39.7 | 0 | 0 | 0 | 112.6 | F770 N843 L902 M906 L909 Y946 | F770-P904 HydrophobicContact CZ-CG 4.23Å; N843-P904 VanDerWaalsContact CB-O 3.3Å; N843-P904 WeakPolarHBondContact CB-O 3.35Å; L902-P904 HydrophobicContact CD1-CB 4.49Å; P904-M906 VanDerWaalsContact C-N 3.33Å; P904-M906 HydrophobicContact CG-CG 4.38Å; P904-M906 HydrophobicContact CG-SD 3.61Å; P904-M906 PolarHBondContact O-N 3.32Å; P904-L909 HydrophobicContact CG-CD1 4.34Å; P904-Y946 HydrophobicContact CB-CD2 3.67Å; P904-Y946 HydrophobicContact CB-CE2 3.48Å; P904-Y946 VanDerWaalsContact CB-CE2 3.48Å; P904-Y946 HydrophobicContact CG-CD2 3.6Å; P904-Y946 HydrophobicContact CG-CE2 3.88Å | ||
| 905 | F | 97.4 | Very high | 92.5 | Very high | 11 Ų | 11 | 31.6 Ų | 31.6 | 5% | 0.048 | 17% | 0.167 | C | C | . | . | trans | -71.7 | 87.8 | 167.4 | -177.2 | -153 | 0 | 0 | 0 | 110.2 | F802 F846 M850 Y891 P907 L908 L909 | F802-F905 AromaticContact CE2-CD2 3.9Å; F802-F905 HydrophobicContact CE2-CD2 3.9Å; F802-F905 AromaticContact CE2-CE2 3.57Å; F802-F905 HydrophobicContact CE2-CE2 3.57Å; F802-F905 HydrophobicContact CZ-CD2 4.4Å; F802-F905 AromaticContact CZ-CE2 3.61Å; F802-F905 HydrophobicContact CZ-CE2 3.61Å; F802-F905 HydrophobicContact CZ-CZ 4.48Å; F846-F905 HydrophobicContact CB-CD2 3.92Å; F846-F905 HydrophobicContact CB-CE2 4.03Å; F846-F905 HydrophobicContact CB-CG 4.41Å; F846-F905 HydrophobicContact CD2-CB 3.7Å; F846-F905 HydrophobicContact CD2-CD1 4.11Å; F846-F905 HydrophobicContact CD2-CD2 4.02Å; F846-F905 AromaticContact CD2-CG 3.68Å; F846-F905 HydrophobicContact CD2-CG 3.68Å; F846-F905 HydrophobicContact CE2-CB 4.02Å; F846-F905 HydrophobicContact CE2-CD1 4.39Å; F846-F905 HydrophobicContact CE2-CG 4.25Å; F846-F905 HydrophobicContact CG-CD1 4.45Å; F846-F905 HydrophobicContact CG-CD2 4.2Å; F846-F905 HydrophobicContact CG-CG 4.19Å; M850-F905 HydrophobicContact SD-CE2 4.44Å; M850-F905 HydrophobicContact SD-CZ 4.16Å; Y891-F905 HydrophobicContact CD2-CB 4.24Å; Y891-F905 HydrophobicContact CE1-CB 4.45Å; Y891-F905 HydrophobicContact CE2-CB 3.49Å; Y891-F905 VanDerWaalsContact CE2-CB 3.49Å; Y891-F905 PolarHBondContact OH-N 3.33Å; F905-P907 HydrophobicContact CD2-CB 4.4Å; F905-P907 HydrophobicContact CD2-CG 4.16Å; F905-P907 HydrophobicContact CE2-CB 3.81Å; F905-P907 HydrophobicContact CE2-CG 3.7Å; F905-P907 HydrophobicContact CZ-CB 4.18Å; F905-L908 HydrophobicContact CB-CB 4.5Å; F905-L908 HydrophobicContact CD1-CB 3.44Å; F905-L908 VanDerWaalsContact CD1-CB 3.44Å; F905-L908 HydrophobicContact CD1-CD2 4.01Å; F905-L908 HydrophobicContact CD1-CG 4.39Å; F905-L908 HydrophobicContact CE1-CB 3.77Å; F905-L908 HydrophobicContact CG-CB 4.06Å; F905-L908 PolarHBondContact O-N 3.04Å; F905-L908 VanDerWaalsContact O-N 3.13Å; F905-L909 PolarHBondContact O-N 3.22Å | ||
| 906 | M | 96 | Very high | 92.2 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.9 | -41.9 | -170.5 | -73.9 | -60.1 | -65.5 | 0 | 0 | 114.9 | F770 L778 L795 F798 L799 N843 P904 L908 L909 I910 | F770-M906 HydrophobicContact CD2-SD 4.47Å; F770-M906 HydrophobicContact CE2-CE 4.48Å; F770-M906 HydrophobicContact CE2-SD 3.87Å; L778-M906 HydrophobicContact CD2-CE 4.22Å; L795-M906 HydrophobicContact CD1-CE 4.09Å; F798-M906 HydrophobicContact CD1-CE 4.37Å; F798-M906 HydrophobicContact CD1-CG 3.92Å; F798-M906 HydrophobicContact CE1-CB 4.47Å; F798-M906 HydrophobicContact CE1-CE 4.4Å; F798-M906 HydrophobicContact CE1-CG 3.32Å; F798-M906 HydrophobicContact CE1-SD 4.04Å; F798-M906 HydrophobicContact CZ-CG 4.1Å; L799-M906 HydrophobicContact CD2-CB 3.99Å; N843-M906 PolarHBondContact OD1-N 3.27Å; P904-M906 VanDerWaalsContact C-N 3.33Å; P904-M906 HydrophobicContact CG-CG 4.38Å; P904-M906 HydrophobicContact CG-SD 3.61Å; P904-M906 PolarHBondContact O-N 3.32Å; M906-L908 VanDerWaalsContact C-N 3.26Å; M906-L908 PolarHBondContact O-N 3.45Å; M906-L909 WeakPolarHBondContact O-CB 3.41Å; M906-L909 PolarHBondContact O-N 3.18Å; M906-I910 WeakPolarHBondContact O-CG1 3.42Å; M906-I910 PolarHBondContact O-N 3.45Å |
| 907 | P | 93 | Very high | 92.3 | Very high | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -53.9 | -41.1 | 174.6 | -30.6 | 36.7 | 0 | 0 | 0 | 113.6 | A3 A4 F802 F905 I910 K911 | A3-P907 VanDerWaalsContact CB-O 3.23Å; A3-P907 WeakPolarHBondContact CB-O 3.44Å; A4-P907 HydrophobicContact CB-CB 4.06Å; A4-P907 HydrophobicContact CB-CG 4.27Å; F802-P907 HydrophobicContact CD1-CG 4Å; F802-P907 HydrophobicContact CD2-CG 3.97Å; F802-P907 HydrophobicContact CE1-CG 4.19Å; F802-P907 HydrophobicContact CE2-CG 4.15Å; F802-P907 HydrophobicContact CG-CG 3.9Å; F802-P907 HydrophobicContact CZ-CG 4.28Å; F905-P907 HydrophobicContact CD2-CB 4.4Å; F905-P907 HydrophobicContact CD2-CG 4.16Å; F905-P907 HydrophobicContact CE2-CB 3.81Å; F905-P907 HydrophobicContact CE2-CG 3.7Å; F905-P907 HydrophobicContact CZ-CB 4.18Å; P907-I910 PolarHBondContact O-N 3.22Å; P907-K911 WeakPolarHBondContact O-CB 3.37Å; P907-K911 PolarHBondContact O-N 3.41Å |
| 908 | L | 91.5 | Very high | 92 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.5 | -37 | 177.2 | 179 | 58.4 | 0 | 0 | 0 | 111.9 | H888 Y891 F905 M906 K911 D912 | H888-L908 HydrophobicContact CB-CD1 4.46Å; H888-L908 HydrophobicContact CB-CD2 3.58Å; H888-L908 WeakPolarHBondContact CD2-CD1 3.34Å; Y891-L908 HydrophobicContact CD1-CD2 3.39Å; Y891-L908 HydrophobicContact CE1-CD2 3.66Å; Y891-L908 HydrophobicContact CG-CD2 4.16Å; F905-L908 HydrophobicContact CB-CB 4.5Å; F905-L908 HydrophobicContact CD1-CB 3.44Å; F905-L908 VanDerWaalsContact CD1-CB 3.44Å; F905-L908 HydrophobicContact CD1-CD2 4.01Å; F905-L908 HydrophobicContact CD1-CG 4.39Å; F905-L908 HydrophobicContact CE1-CB 3.77Å; F905-L908 HydrophobicContact CG-CB 4.06Å; F905-L908 PolarHBondContact O-N 3.04Å; F905-L908 VanDerWaalsContact O-N 3.13Å; M906-L908 VanDerWaalsContact C-N 3.26Å; M906-L908 PolarHBondContact O-N 3.45Å; L908-K911 HydrophobicContact CD1-CD 4.25Å; L908-K911 WeakPolarHBondContact O-CB 3.25Å; L908-K911 PolarHBondContact O-N 3.21Å; L908-D912 PolarHBondContact O-N 3.21Å |
| 909 | L | 93.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 32.8 Ų | 32.8 | 6% | 0.058 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -43.4 | 176 | -169.5 | 150.2 | 0 | 0 | 0 | 111.9 | L778 P904 F905 M906 K911 D912 M913 T939 V943 | L778-L909 HydrophobicContact CD2-CD2 4.43Å; P904-L909 HydrophobicContact CG-CD1 4.34Å; F905-L909 PolarHBondContact O-N 3.22Å; M906-L909 WeakPolarHBondContact O-CB 3.41Å; M906-L909 PolarHBondContact O-N 3.18Å; L909-K911 VanDerWaalsContact C-N 3.32Å; L909-K911 PolarHBondContact O-N 3.12Å; L909-D912 WeakPolarHBondContact O-CB 3.38Å; L909-D912 PolarHBondContact O-N 3.48Å; L909-M913 HydrophobicContact CD2-SD 3.96Å; L909-M913 WeakPolarHBondContact O-CG 3.39Å; L909-M913 PolarHBondContact O-N 3.48Å; L909-T939 HydrophobicContact CD1-CG2 4.24Å; L909-T939 HydrophobicContact CD2-CG2 3.59Å; L909-T939 HydrophobicContact CG-CG2 3.55Å; L909-V943 HydrophobicContact CD1-CG2 3.46Å; L909-V943 VanDerWaalsContact CD1-CG2 3.46Å; L909-V943 HydrophobicContact CD2-CG2 4.04Å; L909-V943 HydrophobicContact CG-CG2 4.42Å |
| 910 | I | 94.1 | Very high | 90.8 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -64.2 | -39.7 | 174 | -61.9 | -56.5 | 0 | 0 | 0 | 110.9 | A3 L778 L795 L799 M906 P907 D912 M913 T914 | A3-I910 HydrophobicContact CB-CB 4.26Å; A3-I910 HydrophobicContact CB-CG2 4.16Å; L778-I910 HydrophobicContact CD2-CD1 3.78Å; L795-I910 HydrophobicContact CD1-CD1 4.23Å; L795-I910 HydrophobicContact CD2-CD1 4.27Å; L799-I910 HydrophobicContact CD1-CG1 4.14Å; L799-I910 HydrophobicContact CD2-CG1 3.94Å; M906-I910 WeakPolarHBondContact O-CG1 3.42Å; M906-I910 PolarHBondContact O-N 3.45Å; P907-I910 PolarHBondContact O-N 3.22Å; I910-D912 VanDerWaalsContact C-N 3.33Å; I910-D912 PolarHBondContact O-N 3.43Å; I910-M913 PolarHBondContact O-N 3.22Å; I910-T914 PolarHBondContact O-N 3.02Å; I910-T914 PolarHBondContact O-OG1 3.43Å; I910-T914 VanDerWaalsContact O-OG1 3.14Å |
| 911 | K | 87.8 | Confident | 90.4 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 16% | 0.161 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.1 | -47.2 | 173.3 | -170.6 | -169.7 | 171.4 | -155.7 | 0 | 110.9 | V2 A3 P907 L908 L909 M913 T914 F915 | V2-K911 HydrophobicContact CB-CD 4.38Å; A3-K911 HydrophobicContact CB-CB 3.68Å; A3-K911 HydrophobicContact CB-CG 4.45Å; P907-K911 WeakPolarHBondContact O-CB 3.37Å; P907-K911 PolarHBondContact O-N 3.41Å; L908-K911 HydrophobicContact CD1-CD 4.25Å; L908-K911 WeakPolarHBondContact O-CB 3.25Å; L908-K911 PolarHBondContact O-N 3.21Å; L909-K911 VanDerWaalsContact C-N 3.32Å; L909-K911 PolarHBondContact O-N 3.12Å; K911-M913 VanDerWaalsContact C-N 3.28Å; K911-M913 PolarHBondContact O-N 3.44Å; K911-T914 PolarHBondContact O-N 2.84Å; K911-F915 HydrophobicContact CD-CD2 4.25Å; K911-F915 HydrophobicContact CD-CE2 3.94Å; K911-F915 HydrophobicContact CG-CD2 3.41Å; K911-F915 VanDerWaalsContact CG-CD2 3.41Å; K911-F915 HydrophobicContact CG-CE2 3.43Å; K911-F915 VanDerWaalsContact CG-CE2 3.43Å; K911-F915 WeakPolarHBondContact O-CB 3.5Å; K911-F915 VanDerWaalsContact O-CD2 3.25Å; K911-F915 WeakPolarHBondContact O-CD2 3.29Å; K911-F915 PolarHBondContact O-N 3.06Å |
| 912 | D | 88.6 | Confident | 90.3 | Very high | 28 Ų | 28 | 36.7 Ų | 36.7 | 15% | 0.15 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | 179.1 | -71.7 | -9.9 | 0 | 0 | 0 | 111.5 | R892 L908 L909 I910 T916 | R892-D912 IonicContact CZ-OD1 3.12Å; R892-D912 IonicContact CZ-OD2 2.65Å; R892-D912 IonicContact NH1-OD2 4Å; R892-D912 PolarHBondContact NH1-OD2 3.17Å; R892-D912 IonicContact NH2-OD1 3.74Å; R892-D912 PolarHBondContact NH2-OD1 2.89Å; R892-D912 IonicContact NH2-OD2 3.32Å; R892-D912 PolarHBondContact NH2-OD2 2.75Å; L908-D912 PolarHBondContact O-N 3.21Å; L909-D912 WeakPolarHBondContact O-CB 3.38Å; L909-D912 PolarHBondContact O-N 3.48Å; I910-D912 VanDerWaalsContact C-N 3.33Å; I910-D912 PolarHBondContact O-N 3.43Å; D912-T916 VanDerWaalsContact O-CB 3.3Å; D912-T916 WeakPolarHBondContact O-CB 3.33Å; D912-T916 PolarHBondContact O-N 3.28Å; D912-T916 PolarHBondContact O-OG1 3.38Å |
| 913 | M | 92.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.8 | -45.1 | 178 | -61.8 | -177.1 | 77.1 | 0 | 0 | 112.5 | L778 I779 T782 L909 I910 K911 T916 H917 I936 T939 | L778-M913 HydrophobicContact CB-CE 3.75Å; L778-M913 HydrophobicContact CB-SD 3.88Å; L778-M913 HydrophobicContact CD2-SD 4.46Å; I779-M913 HydrophobicContact CD1-CE 4.03Å; T782-M913 HydrophobicContact CG2-CB 4Å; T782-M913 WeakPolarHBondContact OG1-CB 3.47Å; T782-M913 WeakPolarHBondContact OG1-CE 3.4Å; L909-M913 HydrophobicContact CD2-SD 3.96Å; L909-M913 WeakPolarHBondContact O-CG 3.39Å; L909-M913 PolarHBondContact O-N 3.48Å; I910-M913 PolarHBondContact O-N 3.22Å; K911-M913 VanDerWaalsContact C-N 3.28Å; K911-M913 PolarHBondContact O-N 3.44Å; M913-T916 PolarHBondContact O-N 2.85Å; M913-H917 WeakPolarHBondContact O-CB 3.41Å; M913-H917 PolarHBondContact O-N 3.49Å; M913-I936 HydrophobicContact CB-CD1 4.42Å; M913-I936 HydrophobicContact CE-CG2 3.6Å; M913-I936 WeakPolarHBondContact O-CD1 3.37Å; M913-T939 HydrophobicContact CG-CG2 3.55Å; M913-T939 HydrophobicContact SD-CG2 4.02Å |
| 914 | T | 86.7 | Confident | 89.4 | Confident | 36 Ų | 36 | 45.1 Ų | 45.1 | 22% | 0.221 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -48.6 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | I910 K911 T916 H917 E918 | I910-T914 PolarHBondContact O-N 3.02Å; I910-T914 PolarHBondContact O-OG1 3.43Å; I910-T914 VanDerWaalsContact O-OG1 3.14Å; K911-T914 PolarHBondContact O-N 2.84Å; T914-T916 VanDerWaalsContact C-N 3.32Å; T914-T916 PolarHBondContact O-N 2.99Å; T914-H917 WeakPolarHBondContact O-CB 3.43Å; T914-H917 PolarHBondContact O-N 2.96Å; T914-H917 VanDerWaalsContact O-N 3.07Å; T914-E918 HydrophobicContact CG2-CG 4.34Å; T914-E918 WeakPolarHBondContact CG2-OE1 3.37Å; T914-E918 WeakPolarHBondContact O-CG 3.41Å; T914-E918 PolarHBondContact O-N 3.35Å |
| 915 | F | 83.8 | Confident | 88.8 | Confident | 107 Ų | 107 | 52.2 Ų | 52.2 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 178.6 | -87.8 | -98.3 | 0 | 0 | 0 | 111.9 | V2 K911 H917 G919 | V2-F915 HydrophobicContact CB-CE2 4.34Å; V2-F915 HydrophobicContact CG1-CE2 4.43Å; K911-F915 HydrophobicContact CD-CD2 4.25Å; K911-F915 HydrophobicContact CD-CE2 3.94Å; K911-F915 HydrophobicContact CG-CD2 3.41Å; K911-F915 VanDerWaalsContact CG-CD2 3.41Å; K911-F915 HydrophobicContact CG-CE2 3.43Å; K911-F915 VanDerWaalsContact CG-CE2 3.43Å; K911-F915 WeakPolarHBondContact O-CB 3.5Å; K911-F915 VanDerWaalsContact O-CD2 3.25Å; K911-F915 WeakPolarHBondContact O-CD2 3.29Å; K911-F915 PolarHBondContact O-N 3.06Å; F915-H917 VanDerWaalsContact C-N 3.31Å; F915-G919 WeakPolarHBondContact O-CA 3.46Å; F915-G919 PolarHBondContact O-N 3.41Å |
| 916 | T | 85.1 | Confident | 88.4 | Confident | 23 Ų | 23 | 59.1 Ų | 59.1 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.9 | -38.4 | 173.5 | -59.2 | 0 | 0 | 0 | 0 | 111.1 | D912 M913 T914 N920 M935 I936 | D912-T916 VanDerWaalsContact O-CB 3.3Å; D912-T916 WeakPolarHBondContact O-CB 3.33Å; D912-T916 PolarHBondContact O-N 3.28Å; D912-T916 PolarHBondContact O-OG1 3.38Å; M913-T916 PolarHBondContact O-N 2.85Å; T914-T916 VanDerWaalsContact C-N 3.32Å; T914-T916 PolarHBondContact O-N 2.99Å; T916-N920 WeakPolarHBondContact O-CB 3.48Å; T916-N920 PolarHBondContact O-N 3.37Å; T916-N920 PolarHBondContact O-ND2 2.93Å; T916-M935 HydrophobicContact CG2-CB 3.73Å; T916-M935 HydrophobicContact CG2-CE 3.97Å; T916-M935 HydrophobicContact CG2-SD 4.37Å; T916-I936 HydrophobicContact CG2-CD1 3.49Å; T916-I936 VanDerWaalsContact CG2-CD1 3.49Å; T916-I936 HydrophobicContact CG2-CG1 3.96Å |
| 917 | H | 91.8 | Very high | 88.1 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 24% | 0.236 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 178.9 | 177.7 | 74.9 | 0 | 0 | 0 | 113 | T782 F783 M913 T914 F915 K932 | T782-H917 HydrophobicContact CG2-CB 3.62Å; F783-H917 AromaticContact CD1-CE1 3.3Å; F783-H917 WeakPolarHBondContact CD1-CE1 3.43Å; F783-H917 AromaticContact CD1-ND1 3.4Å; F783-H917 WeakPolarHBondContact CD1-ND1 3.38Å; F783-H917 AromaticContact CE1-CE1 3.5Å; F783-H917 AromaticContact CE1-ND1 3.22Å; F783-H917 WeakPolarHBondContact CE1-ND1 3.49Å; F783-H917 AromaticContact CG-CE1 4Å; F783-H917 AromaticContact CG-ND1 3.93Å; F783-H917 AromaticContact CZ-ND1 3.64Å; M913-H917 WeakPolarHBondContact O-CB 3.41Å; M913-H917 PolarHBondContact O-N 3.49Å; T914-H917 WeakPolarHBondContact O-CB 3.43Å; T914-H917 PolarHBondContact O-N 2.96Å; T914-H917 VanDerWaalsContact O-N 3.07Å; F915-H917 VanDerWaalsContact C-N 3.31Å; H917-K932 PolarHBondContact ND1-NZ 2.93Å; H917-K932 PolarHBondContact O-NZ 3.25Å |
| 918 | E | 81.6 | Confident | 88.3 | Confident | 142 Ų | 142 | 59.4 Ų | 59.4 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -75.1 | -36.7 | -178.3 | -68.8 | 173.4 | 177.7 | 0 | 0 | 112.1 | T914 N920 | T914-E918 HydrophobicContact CG2-CG 4.34Å; T914-E918 WeakPolarHBondContact CG2-OE1 3.37Å; T914-E918 WeakPolarHBondContact O-CG 3.41Å; T914-E918 PolarHBondContact O-N 3.35Å; E918-N920 VanDerWaalsContact C-N 3.35Å; E918-N920 PolarHBondContact O-N 2.66Å |
| 919 | G | 77.6 | Confident | 88.4 | Confident | 64 Ų | 64 | 59.6 Ų | 59.6 | 66% | 0.66 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -76.7 | -16.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | F915 | F915-G919 WeakPolarHBondContact O-CA 3.46Å; F915-G919 PolarHBondContact O-N 3.41Å |
| 920 | N | 82.8 | Confident | 88.4 | Confident | 54 Ų | 54 | 59.1 Ų | 59.1 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -126.6 | 131.1 | -177.3 | -59.4 | -79.5 | 0 | 0 | 0 | 110.8 | T916 E918 K932 | T916-N920 WeakPolarHBondContact O-CB 3.48Å; T916-N920 PolarHBondContact O-N 3.37Å; T916-N920 PolarHBondContact O-ND2 2.93Å; E918-N920 VanDerWaalsContact C-N 3.35Å; E918-N920 PolarHBondContact O-N 2.66Å; N920-K932 HydrophobicContact CB-CB 4.17Å; N920-K932 HydrophobicContact CB-CD 3.89Å; N920-K932 HydrophobicContact CB-CG 3.94Å; N920-K932 VanDerWaalsContact O-CD 3.31Å; N920-K932 WeakPolarHBondContact O-CD 3.32Å; N920-K932 WeakPolarHBondContact O-CE 3.16Å; N920-K932 PolarHBondContact O-NZ 3.44Å |
| 921 | K | 86.9 | Confident | 88.3 | Confident | 161 Ų | 161 | 61.7 Ų | 61.7 | 70% | 0.7 | 32% | 0.32 | S | S | * | . | trans | -69.1 | 139.7 | 175.4 | -67.3 | -171.8 | 174.9 | -173.5 | 0 | 111.1 | F923 N929 K932 | K921-F923 VanDerWaalsContact C-N 3.3Å; K921-F923 WeakPolarHBondContact CB-O 3.3Å; K921-N929 VanDerWaalsContact O-CB 3.29Å; K921-N929 WeakPolarHBondContact O-CB 3.21Å; K921-N929 PolarHBondContact O-ND2 3.21Å; K921-K932 WeakPolarHBondContact O-CD 3.41Å | ||
| 922 | T | 92.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 60.1 Ų | 60.1 | 16% | 0.16 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -68.2 | -31.8 | 173.7 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | V521 N929 K932 M933 | V521-T922 HydrophobicContact CG1-CG2 3.91Å; T922-N929 WeakPolarHBondContact O-CB 3.44Å; T922-N929 PolarHBondContact O-N 3.11Å; T922-K932 PolarHBondContact OG1-NZ 2.95Å; T922-M933 HydrophobicContact CG2-CE 3.8Å |
| 923 | F | 92.2 | Very high | 88.9 | Confident | 99 Ų | 99 | 58.8 Ų | 58.8 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 137.4 | 177.5 | -59.7 | -87.3 | 0 | 0 | 0 | 110.9 | K921 L927 V928 | K921-F923 VanDerWaalsContact C-N 3.3Å; K921-F923 WeakPolarHBondContact CB-O 3.3Å; F923-L927 CarbonylContact C-O 3.57Å; F923-L927 WeakPolarHBondContact CA-O 3.4Å; F923-V928 HydrophobicContact CD1-CG2 4.26Å; F923-V928 HydrophobicContact CE1-CG2 3.82Å |
| 924 | I | 84.6 | Confident | 89 | Confident | 78 Ų | 78 | 61.1 Ų | 61.1 | 40% | 0.4 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 120.4 | 174.2 | -61.1 | 170.8 | 0 | 0 | 0 | 106.3 | N926 L927 N929 | I924-N926 PolarHBondContact O-N 3.18Å; I924-L927 PolarHBondContact N-O 2.89Å; I924-L927 WeakPolarHBondContact O-CA 3.24Å; I924-L927 WeakPolarHBondContact O-CB 3.25Å; I924-L927 PolarHBondContact O-N 3.35Å; I924-N929 HydrophobicContact CD1-CB 4.01Å; I924-N929 HydrophobicContact CG1-CB 4.2Å |
| 925 | D | 85.7 | Confident | 89.2 | Confident | 149 Ų | 149 | 62.9 Ų | 62.9 | 80% | 0.797 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41.9 | -177.5 | -55.1 | -31.6 | 0 | 0 | 0 | 113.4 | L927 | D925-L927 PolarHBondContact O-N 3.4Š|
| 926 | N | 88.4 | Confident | 89.7 | Confident | 155 Ų | 155 | 57.8 Ų | 57.8 | 83% | 0.829 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 2.1 | -174.7 | -53.6 | -48.7 | 0 | 0 | 0 | 116.1 | I924 | I924-N926 PolarHBondContact O-N 3.18Š|
| 927 | L | 89.3 | Confident | 90.1 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 145 | 170.9 | -56.7 | -179.8 | 0 | 0 | 0 | 110.6 | D455 T486 F923 I924 D925 N929 | D455-L927 HydrophobicContact CB-CD1 4.25Å; D455-L927 WeakPolarHBondContact O-CD1 3.43Å; D455-L927 WeakPolarHBondContact O-CD2 3.43Å; T486-L927 HydrophobicContact CG2-CD2 3.75Å; F923-L927 CarbonylContact C-O 3.57Å; F923-L927 WeakPolarHBondContact CA-O 3.4Å; I924-L927 PolarHBondContact N-O 2.89Å; I924-L927 WeakPolarHBondContact O-CA 3.24Å; I924-L927 WeakPolarHBondContact O-CB 3.25Å; I924-L927 PolarHBondContact O-N 3.35Å; D925-L927 PolarHBondContact O-N 3.4Å; L927-N929 PolarHBondContact O-N 3.47Å |
| 928 | V | 96.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.2 | 126.3 | 172 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | S484 G485 P487 I490 F522 F923 F930 M933 | S484-V928 CarbonylContact C-O 3.59Å; S484-V928 WeakPolarHBondContact CA-O 3.46Å; S484-V928 VanDerWaalsContact CB-O 3.26Å; S484-V928 WeakPolarHBondContact CB-O 3.47Å; G485-V928 PolarHBondContact N-O 2.88Å; G485-V928 VanDerWaalsContact N-O 3.16Å; G485-V928 WeakPolarHBondContact O-CB 3.49Å; G485-V928 PolarHBondContact O-N 3.2Å; P487-V928 HydrophobicContact CG-CG2 4.07Å; I490-V928 HydrophobicContact CD1-CB 3.8Å; I490-V928 HydrophobicContact CD1-CG1 4.22Å; I490-V928 HydrophobicContact CD1-CG2 4.35Å; F522-V928 HydrophobicContact CB-CB 4.44Å; F522-V928 HydrophobicContact CB-CG1 3.87Å; F522-V928 HydrophobicContact CB-CG2 3.64Å; F522-V928 HydrophobicContact CD1-CG1 3.81Å; F522-V928 HydrophobicContact CD2-CG1 4.25Å; F522-V928 HydrophobicContact CD2-CG2 3.95Å; F522-V928 HydrophobicContact CE1-CG1 4.41Å; F522-V928 HydrophobicContact CG-CB 4.45Å; F522-V928 HydrophobicContact CG-CG1 3.71Å; F522-V928 HydrophobicContact CG-CG2 3.91Å; F923-V928 HydrophobicContact CD1-CG2 4.26Å; F923-V928 HydrophobicContact CE1-CG2 3.82Å; V928-F930 PolarHBondContact O-N 3.49Å; V928-F930 VanDerWaalsContact O-N 3.12Å; V928-M933 HydrophobicContact CG1-CG 4.28Å |
| 929 | N | 94.3 | Very high | 90.7 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 93.7 | 171.7 | -180 | -3.9 | 0 | 0 | 0 | 109.6 | K921 T922 I924 L927 E931 K932 M933 | K921-N929 VanDerWaalsContact O-CB 3.29Å; K921-N929 WeakPolarHBondContact O-CB 3.21Å; K921-N929 PolarHBondContact O-ND2 3.21Å; T922-N929 WeakPolarHBondContact O-CB 3.44Å; T922-N929 PolarHBondContact O-N 3.11Å; I924-N929 HydrophobicContact CD1-CB 4.01Å; I924-N929 HydrophobicContact CG1-CB 4.2Å; L927-N929 PolarHBondContact O-N 3.47Å; N929-E931 WeakPolarHBondContact OD1-CB 3.41Å; N929-E931 PolarHBondContact OD1-N 2.67Å; N929-K932 HydrophobicContact CB-CB 4.24Å; N929-K932 PolarHBondContact O-N 2.89Å; N929-K932 PolarHBondContact OD1-N 2.97Å; N929-K932 VanDerWaalsContact OD1-N 3.1Å; N929-M933 WeakPolarHBondContact O-CE 3.39Å; N929-M933 WeakPolarHBondContact O-CG 3.46Å; N929-M933 PolarHBondContact O-N 3.49Å |
| 930 | F | 94.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -78 | -21.6 | -176.9 | -156.4 | -96.4 | 0 | 0 | 0 | 112.9 | V482 M483 I490 F494 D514 F515 F522 V928 M933 R934 | V482-F930 HydrophobicContact CB-CB 4.39Å; V482-F930 HydrophobicContact CB-CD1 3.87Å; V482-F930 HydrophobicContact CB-CG 4.28Å; V482-F930 HydrophobicContact CG1-CB 3.8Å; V482-F930 HydrophobicContact CG1-CD1 4.11Å; V482-F930 HydrophobicContact CG1-CG 3.99Å; M483-F930 WeakPolarHBondContact O-CA 3.44Å; M483-F930 PolarHBondContact O-N 3.46Å; I490-F930 HydrophobicContact CD1-CB 4.47Å; I490-F930 HydrophobicContact CD1-CD2 4.08Å; I490-F930 HydrophobicContact CG2-CD2 4.02Å; I490-F930 HydrophobicContact CG2-CE2 3.91Å; F494-F930 AromaticContact CE2-CE1 3.74Å; F494-F930 HydrophobicContact CE2-CE1 3.74Å; F494-F930 HydrophobicContact CE2-CE2 4Å; F494-F930 AromaticContact CE2-CZ 3.41Å; F494-F930 HydrophobicContact CE2-CZ 3.41Å; F494-F930 VanDerWaalsContact CE2-CZ 3.41Å; F494-F930 AromaticContact CZ-CE1 3.55Å; F494-F930 HydrophobicContact CZ-CE1 3.55Å; F494-F930 AromaticContact CZ-CZ 3.56Å; F494-F930 HydrophobicContact CZ-CZ 3.56Å; D514-F930 HydrophobicContact CB-CE1 4.06Å; D514-F930 HydrophobicContact CB-CZ 4Å; F515-F930 HydrophobicContact CB-CZ 4.23Å; F515-F930 HydrophobicContact CD2-CE2 4.5Å; F522-F930 HydrophobicContact CE1-CD2 4.42Å; F522-F930 HydrophobicContact CE1-CE2 4.17Å; F522-F930 HydrophobicContact CZ-CD2 4.42Å; F522-F930 HydrophobicContact CZ-CE2 4.06Å; V928-F930 PolarHBondContact O-N 3.49Å; V928-F930 VanDerWaalsContact O-N 3.12Å; F930-M933 HydrophobicContact CD2-CB 4.09Å; F930-M933 HydrophobicContact CD2-CG 4.15Å; F930-M933 HydrophobicContact CE2-CB 4.3Å; F930-M933 HydrophobicContact CG-CB 4.4Å; F930-M933 WeakPolarHBondContact O-CB 3.27Å; F930-M933 PolarHBondContact O-N 2.97Å; F930-R934 PolarHBondContact O-N 3.4Å |
| 931 | E | 90.7 | Very high | 92.1 | Very high | 60 Ų | 60 | 49.5 Ų | 49.5 | 28% | 0.28 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.1 | -48.1 | 168.4 | -173.6 | -177.7 | -159 | 0 | 0 | 110.3 | M483 N929 M933 R934 M935 | M483-E931 HydrophobicContact CE-CB 3.99Å; M483-E931 HydrophobicContact CE-CG 4.02Å; M483-E931 PolarHBondContact O-N 2.87Å; M483-E931 VanDerWaalsContact O-N 3.12Å; N929-E931 WeakPolarHBondContact OD1-CB 3.41Å; N929-E931 PolarHBondContact OD1-N 2.67Å; E931-M933 VanDerWaalsContact C-N 3.31Å; E931-M933 PolarHBondContact O-N 3.33Å; E931-R934 PolarHBondContact O-N 2.93Å; E931-M935 WeakPolarHBondContact O-CG 3.41Å; E931-M935 PolarHBondContact O-N 3.22Å |
| 932 | K | 93.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.013 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57 | -44.1 | 172.8 | 177.4 | -174 | -178 | 173.4 | 0 | 111.7 | H917 N920 K921 T922 N929 R934 M935 I936 | H917-K932 PolarHBondContact ND1-NZ 2.93Å; H917-K932 PolarHBondContact O-NZ 3.25Å; N920-K932 HydrophobicContact CB-CB 4.17Å; N920-K932 HydrophobicContact CB-CD 3.89Å; N920-K932 HydrophobicContact CB-CG 3.94Å; N920-K932 VanDerWaalsContact O-CD 3.31Å; N920-K932 WeakPolarHBondContact O-CD 3.32Å; N920-K932 WeakPolarHBondContact O-CE 3.16Å; N920-K932 PolarHBondContact O-NZ 3.44Å; K921-K932 WeakPolarHBondContact O-CD 3.41Å; T922-K932 PolarHBondContact OG1-NZ 2.95Å; N929-K932 HydrophobicContact CB-CB 4.24Å; N929-K932 PolarHBondContact O-N 2.89Å; N929-K932 PolarHBondContact OD1-N 2.97Å; N929-K932 VanDerWaalsContact OD1-N 3.1Å; K932-R934 VanDerWaalsContact C-N 3.33Å; K932-R934 PolarHBondContact O-N 2.9Å; K932-M935 PolarHBondContact O-N 3.03Å; K932-I936 WeakPolarHBondContact O-CG1 3.41Å; K932-I936 PolarHBondContact O-N 2.75Å; K932-I936 VanDerWaalsContact O-N 3.09Å |
| 933 | M | 96.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -46.2 | 178.8 | -61.2 | -49.1 | 124.6 | 0 | 0 | 111.1 | M518 V521 F522 F783 T922 V928 N929 F930 E931 M935 I936 A937 | M518-M933 HydrophobicContact CB-CB 3.91Å; M518-M933 HydrophobicContact CB-CG 4.26Å; M518-M933 HydrophobicContact CB-SD 4.25Å; M518-M933 HydrophobicContact CE-SD 3.81Å; M518-M933 HydrophobicContact CG-CB 4Å; V521-M933 HydrophobicContact CB-SD 4.25Å; V521-M933 HydrophobicContact CG1-CE 4.23Å; V521-M933 HydrophobicContact CG1-SD 4.05Å; F522-M933 HydrophobicContact CD1-CG 4.26Å; F522-M933 HydrophobicContact CD1-SD 4.32Å; F522-M933 HydrophobicContact CE1-CG 4.22Å; F783-M933 HydrophobicContact CZ-CE 4.43Å; F783-M933 HydrophobicContact CZ-SD 4.43Å; T922-M933 HydrophobicContact CG2-CE 3.8Å; V928-M933 HydrophobicContact CG1-CG 4.28Å; N929-M933 WeakPolarHBondContact O-CE 3.39Å; N929-M933 WeakPolarHBondContact O-CG 3.46Å; N929-M933 PolarHBondContact O-N 3.49Å; F930-M933 HydrophobicContact CD2-CB 4.09Å; F930-M933 HydrophobicContact CD2-CG 4.15Å; F930-M933 HydrophobicContact CE2-CB 4.3Å; F930-M933 HydrophobicContact CG-CB 4.4Å; F930-M933 WeakPolarHBondContact O-CB 3.27Å; F930-M933 PolarHBondContact O-N 2.97Å; E931-M933 VanDerWaalsContact C-N 3.31Å; E931-M933 PolarHBondContact O-N 3.33Å; M933-M935 PolarHBondContact O-N 3.09Å; M933-I936 PolarHBondContact O-N 3.21Å; M933-A937 WeakPolarHBondContact O-CB 3.49Å; M933-A937 PolarHBondContact O-N 2.89Å |
| 934 | R | 93.7 | Very high | 92.8 | Very high | 50 Ų | 50 | 42.2 Ų | 42.2 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.7 | -41.3 | 176.6 | -175.3 | 177.9 | -53 | 131.6 | 14 | 112.5 | V482 D514 F930 E931 K932 I936 A937 N938 | V482-R934 PolarHBondContact O-NH2 2.94Å; D514-R934 WeakPolarHBondContact OD2-CG 3.15Å; D514-R934 IonicContact OD2-NE 3.58Å; D514-R934 PolarHBondContact OD2-NE 3.14Å; F930-R934 PolarHBondContact O-N 3.4Å; E931-R934 PolarHBondContact O-N 2.93Å; K932-R934 VanDerWaalsContact C-N 3.33Å; K932-R934 PolarHBondContact O-N 2.9Å; R934-I936 VanDerWaalsContact C-N 3.35Å; R934-I936 PolarHBondContact O-N 3.09Å; R934-A937 PolarHBondContact O-N 3.1Å; R934-N938 PolarHBondContact O-N 3.43Å; R934-N938 PolarHBondContact O-ND2 3.42Å |
| 935 | M | 90.5 | Very high | 93.3 | Very high | 72 Ų | 72 | 43.5 Ų | 43.5 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.1 | -45.3 | 177 | -68.6 | 173.5 | 73.8 | 0 | 0 | 111.7 | T916 E931 K932 M933 N938 | T916-M935 HydrophobicContact CG2-CB 3.73Å; T916-M935 HydrophobicContact CG2-CE 3.97Å; T916-M935 HydrophobicContact CG2-SD 4.37Å; E931-M935 WeakPolarHBondContact O-CG 3.41Å; E931-M935 PolarHBondContact O-N 3.22Å; K932-M935 PolarHBondContact O-N 3.03Å; M933-M935 PolarHBondContact O-N 3.09Å; M935-N938 WeakPolarHBondContact O-CB 3.43Å; M935-N938 PolarHBondContact O-N 3.36Å |
| 936 | I | 94.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.4 | -44.3 | 176.8 | -62.1 | -67.4 | 0 | 0 | 0 | 111.2 | M518 I779 T782 F783 M913 T916 K932 M933 R934 N938 T939 A940 | M518-I936 HydrophobicContact CE-CB 3.96Å; M518-I936 HydrophobicContact CE-CG2 3.8Å; M518-I936 HydrophobicContact SD-CB 4.44Å; M518-I936 HydrophobicContact SD-CG2 4.14Å; I779-I936 HydrophobicContact CD1-CG2 3.75Å; T782-I936 HydrophobicContact CG2-CD1 4.3Å; F783-I936 HydrophobicContact CE2-CG1 4.35Å; F783-I936 HydrophobicContact CE2-CG2 4.27Å; F783-I936 HydrophobicContact CZ-CG1 4.48Å; M913-I936 HydrophobicContact CB-CD1 4.42Å; M913-I936 HydrophobicContact CE-CG2 3.6Å; M913-I936 WeakPolarHBondContact O-CD1 3.37Å; T916-I936 HydrophobicContact CG2-CD1 3.49Å; T916-I936 VanDerWaalsContact CG2-CD1 3.49Å; T916-I936 HydrophobicContact CG2-CG1 3.96Å; K932-I936 WeakPolarHBondContact O-CG1 3.41Å; K932-I936 PolarHBondContact O-N 2.75Å; K932-I936 VanDerWaalsContact O-N 3.09Å; M933-I936 PolarHBondContact O-N 3.21Å; R934-I936 VanDerWaalsContact C-N 3.35Å; R934-I936 PolarHBondContact O-N 3.09Å; I936-N938 VanDerWaalsContact C-N 3.26Å; I936-N938 PolarHBondContact O-N 3.47Å; I936-T939 PolarHBondContact O-N 2.89Å; I936-T939 VanDerWaalsContact O-N 3.15Å; I936-A940 PolarHBondContact O-N 2.93Å |
| 937 | A | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.1 | -34.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M517 M518 M933 R934 T939 A940 R941 | M517-A937 HydrophobicContact SD-CB 4.07Å; M518-A937 HydrophobicContact CG-CB 3.94Å; M518-A937 HydrophobicContact SD-CB 4.22Å; M933-A937 WeakPolarHBondContact O-CB 3.49Å; M933-A937 PolarHBondContact O-N 2.89Å; R934-A937 PolarHBondContact O-N 3.1Å; A937-T939 VanDerWaalsContact C-N 3.33Å; A937-T939 PolarHBondContact O-N 3.31Å; A937-A940 PolarHBondContact O-N 3.37Å; A937-R941 WeakPolarHBondContact O-CB 3.27Å; A937-R941 WeakPolarHBondContact O-CG 3.36Å; A937-R941 PolarHBondContact O-N 3.06Å |
| 938 | N | 92.6 | Very high | 94.5 | Very high | 69 Ų | 69 | 35.5 Ų | 35.5 | 37% | 0.369 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -57 | -45.9 | 174.3 | -74.7 | -28.1 | 0 | 0 | 0 | 111.5 | R934 M935 I936 A940 R941 T942 | R934-N938 PolarHBondContact O-N 3.43Å; R934-N938 PolarHBondContact O-ND2 3.42Å; M935-N938 WeakPolarHBondContact O-CB 3.43Å; M935-N938 PolarHBondContact O-N 3.36Å; I936-N938 VanDerWaalsContact C-N 3.26Å; I936-N938 PolarHBondContact O-N 3.47Å; N938-A940 PolarHBondContact O-N 3.31Å; N938-R941 PolarHBondContact O-N 3.39Å; N938-R941 PolarHBondContact OD1-NH2 3.45Å; N938-T942 PolarHBondContact O-N 2.97Å; N938-T942 PolarHBondContact O-OG1 2.74Å; N938-T942 VanDerWaalsContact O-OG1 3.06Å |
| 939 | T | 93 | Very high | 94.4 | Very high | 20 Ų | 20 | 40.6 Ų | 40.6 | 12% | 0.123 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.5 | -40.6 | 179.6 | -53.7 | 0 | 0 | 0 | 0 | 112.2 | L909 M913 I936 A937 T942 V943 | L909-T939 HydrophobicContact CD1-CG2 4.24Å; L909-T939 HydrophobicContact CD2-CG2 3.59Å; L909-T939 HydrophobicContact CG-CG2 3.55Å; M913-T939 HydrophobicContact CG-CG2 3.55Å; M913-T939 HydrophobicContact SD-CG2 4.02Å; I936-T939 PolarHBondContact O-N 2.89Å; I936-T939 VanDerWaalsContact O-N 3.15Å; A937-T939 VanDerWaalsContact C-N 3.33Å; A937-T939 PolarHBondContact O-N 3.31Å; T939-T942 WeakPolarHBondContact O-CB 3.32Å; T939-T942 PolarHBondContact O-N 3.14Å; T939-V943 PolarHBondContact O-N 3.48Å |
| 940 | A | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -39.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | M517 L778 I779 I936 A937 N938 T942 V943 R944 | M517-A940 HydrophobicContact CE-CB 4.14Å; M517-A940 HydrophobicContact SD-CB 3.43Å; M517-A940 WeakPolarHBondContact SD-CB 3.27Å; L778-A940 HydrophobicContact CD1-CB 4.22Å; I779-A940 HydrophobicContact CD1-CB 4.44Å; I936-A940 PolarHBondContact O-N 2.93Å; A937-A940 PolarHBondContact O-N 3.37Å; N938-A940 PolarHBondContact O-N 3.31Å; A940-T942 VanDerWaalsContact C-N 3.29Å; A940-T942 PolarHBondContact O-N 3.43Å; A940-V943 VanDerWaalsContact O-CB 3.31Å; A940-V943 WeakPolarHBondContact O-CB 3.23Å; A940-V943 PolarHBondContact O-N 3.37Å; A940-V943 VanDerWaalsContact O-N 3.09Å; A940-R944 PolarHBondContact O-N 3.04Å; A940-R944 VanDerWaalsContact O-N 3.11Å |
| 941 | R | 95 | Very high | 94.2 | Very high | 71 Ų | 71 | 46 Ų | 46 | 27% | 0.268 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.8 | -33.4 | 172.8 | -77.4 | -168.9 | -80 | 143 | -8.8 | 112.5 | N513 D514 M517 A937 N938 V943 R944 Y945 | N513-R941 WeakPolarHBondContact OD1-CD 3.44Å; D514-R941 IonicContact OD1-CZ 2.72Å; D514-R941 IonicContact OD1-NE 3.14Å; D514-R941 PolarHBondContact OD1-NE 3.09Å; D514-R941 IonicContact OD1-NH2 2.6Å; D514-R941 PolarHBondContact OD1-NH2 3.05Å; D514-R941 IonicContact OD2-NH2 3.07Å; M517-R941 HydrophobicContact CE-CG 4.13Å; A937-R941 WeakPolarHBondContact O-CB 3.27Å; A937-R941 WeakPolarHBondContact O-CG 3.36Å; A937-R941 PolarHBondContact O-N 3.06Å; N938-R941 PolarHBondContact O-N 3.39Å; N938-R941 PolarHBondContact OD1-NH2 3.45Å; R941-V943 VanDerWaalsContact C-N 3.3Å; R941-V943 PolarHBondContact O-N 3.38Å; R941-R944 WeakPolarHBondContact O-CB 3.47Å; R941-R944 PolarHBondContact O-N 2.91Å; R941-R944 VanDerWaalsContact O-N 3.14Å; R941-Y945 PolarHBondContact O-N 3.28Å |
| 942 | T | 94.2 | Very high | 93.6 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.319 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60.5 | -39.8 | 171.7 | -64.7 | 0 | 0 | 0 | 0 | 111.5 | N938 T939 A940 Y945 Y946 | N938-T942 PolarHBondContact O-N 2.97Å; N938-T942 PolarHBondContact O-OG1 2.74Å; N938-T942 VanDerWaalsContact O-OG1 3.06Å; T939-T942 WeakPolarHBondContact O-CB 3.32Å; T939-T942 PolarHBondContact O-N 3.14Å; A940-T942 VanDerWaalsContact C-N 3.29Å; A940-T942 PolarHBondContact O-N 3.43Å; T942-Y945 PolarHBondContact O-N 3.11Å; T942-Y946 HydrophobicContact CG2-CD2 4.05Å; T942-Y946 HydrophobicContact CG2-CE1 3.88Å; T942-Y946 HydrophobicContact CG2-CE2 3.3Å; T942-Y946 WeakPolarHBondContact CG2-OH 3.43Å; T942-Y946 VanDerWaalsContact O-CD2 3.31Å; T942-Y946 WeakPolarHBondContact O-CD2 3.38Å; T942-Y946 PolarHBondContact O-N 2.83Å |
| 943 | V | 95.9 | Very high | 92.4 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 171.3 | 173 | 0 | 0 | 0 | 0 | 111.4 | F770 L778 L909 T939 A940 R941 Y945 Y946 R947 | F770-V943 HydrophobicContact CE2-CG1 3.69Å; F770-V943 HydrophobicContact CZ-CG1 3.71Å; L778-V943 HydrophobicContact CD1-CB 4.23Å; L778-V943 HydrophobicContact CD1-CG1 4.43Å; L778-V943 HydrophobicContact CD1-CG2 3.86Å; L909-V943 HydrophobicContact CD1-CG2 3.46Å; L909-V943 VanDerWaalsContact CD1-CG2 3.46Å; L909-V943 HydrophobicContact CD2-CG2 4.04Å; L909-V943 HydrophobicContact CG-CG2 4.42Å; T939-V943 PolarHBondContact O-N 3.48Å; A940-V943 VanDerWaalsContact O-CB 3.31Å; A940-V943 WeakPolarHBondContact O-CB 3.23Å; A940-V943 PolarHBondContact O-N 3.37Å; A940-V943 VanDerWaalsContact O-N 3.09Å; R941-V943 VanDerWaalsContact C-N 3.3Å; R941-V943 PolarHBondContact O-N 3.38Å; V943-Y945 VanDerWaalsContact C-N 3.33Å; V943-Y945 PolarHBondContact O-N 2.69Å; V943-Y946 PolarHBondContact O-N 2.81Å; V943-R947 WeakPolarHBondContact O-CG 3.47Å; V943-R947 PolarHBondContact O-N 3.16Å |
| 944 | R | 95.3 | Very high | 90.7 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 30% | 0.298 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57 | -45.2 | 175.1 | -167.5 | -173.2 | -60.2 | 156.4 | 7.6 | 112 | N513 E775 A940 R941 R947 S948 | N513-R944 PolarHBondContact ND2-NH1 3.47Å; N513-R944 VanDerWaalsContact ND2-NH1 3.11Å; N513-R944 PolarHBondContact ND2-NH2 3.25Å; N513-R944 PolarHBondContact OD1-NH1 3.32Å; N513-R944 PolarHBondContact OD1-NH2 2.91Å; E775-R944 WeakPolarHBondContact OE1-CB 3.36Å; E775-R944 VanDerWaalsContact OE1-CG 3.3Å; E775-R944 WeakPolarHBondContact OE1-CG 3.48Å; E775-R944 IonicContact OE1-CZ 3.63Å; E775-R944 IonicContact OE1-NE 3.7Å; E775-R944 PolarHBondContact OE1-NE 2.97Å; E775-R944 IonicContact OE1-NH2 2.8Å; E775-R944 IonicContact OE2-CZ 3.26Å; E775-R944 VanDerWaalsContact OE2-CZ 3.26Å; E775-R944 IonicContact OE2-NE 3.92Å; E775-R944 PolarHBondContact OE2-NE 2.92Å; E775-R944 VanDerWaalsContact OE2-NE 3.07Å; E775-R944 IonicContact OE2-NH2 3.87Å; E775-R944 PolarHBondContact OE2-NH2 3.17Å; A940-R944 PolarHBondContact O-N 3.04Å; A940-R944 VanDerWaalsContact O-N 3.11Å; R941-R944 WeakPolarHBondContact O-CB 3.47Å; R941-R944 PolarHBondContact O-N 2.91Å; R941-R944 VanDerWaalsContact O-N 3.14Å; R944-R947 PolarHBondContact O-N 3.42Å; R944-S948 PolarHBondContact O-N 3.37Å; R944-S948 VanDerWaalsContact O-N 3.11Å |
| 945 | Y | 95.6 | Very high | 88.6 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 41% | 0.412 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 177.4 | 170.9 | -108.9 | 0 | 0 | 0 | 111.7 | E899 P900 R941 T942 V943 R947 S948 | E899-Y945 PolarHBondContact OE2-OH 3.28Å; P900-Y945 WeakPolarHBondContact CB-O 3.03Å; P900-Y945 VanDerWaalsContact CD-OH 3.29Å; P900-Y945 WeakPolarHBondContact CD-OH 3.21Å; P900-Y945 HydrophobicContact CG-CD1 4.1Å; P900-Y945 HydrophobicContact CG-CD2 3.93Å; P900-Y945 HydrophobicContact CG-CE1 3.81Å; P900-Y945 HydrophobicContact CG-CE2 3.62Å; P900-Y945 HydrophobicContact CG-CG 4.17Å; P900-Y945 WeakPolarHBondContact CG-O 3.36Å; R941-Y945 PolarHBondContact O-N 3.28Å; T942-Y945 PolarHBondContact O-N 3.11Å; V943-Y945 VanDerWaalsContact C-N 3.33Å; V943-Y945 PolarHBondContact O-N 2.69Å; Y945-R947 PolarHBondContact O-N 2.85Å; Y945-R947 VanDerWaalsContact O-N 3.17Å; Y945-S948 VanDerWaalsContact O-CB 3.28Å; Y945-S948 WeakPolarHBondContact O-CB 3.5Å; Y945-S948 PolarHBondContact O-N 3.42Å; Y945-S948 PolarHBondContact O-OG 2.91Å |
| 946 | Y | 96.9 | Very high | 86.6 | Confident | 28 Ų | 28 | 61 Ų | 61 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.3 | -31.7 | -179.2 | -66 | -23.9 | 0 | 0 | 0 | 114.4 | V895 L902 P904 T942 V943 | V895-Y946 HydrophobicContact CG1-CE1 3.84Å; V895-Y946 WeakPolarHBondContact CG1-OH 3.41Å; L902-Y946 HydrophobicContact CD1-CD1 3.56Å; L902-Y946 HydrophobicContact CD1-CD2 4.08Å; L902-Y946 HydrophobicContact CD1-CE1 3.82Å; L902-Y946 HydrophobicContact CD1-CE2 4.3Å; L902-Y946 HydrophobicContact CD1-CG 3.69Å; L902-Y946 HydrophobicContact CD2-CD1 3.46Å; L902-Y946 VanDerWaalsContact CD2-CD1 3.46Å; L902-Y946 HydrophobicContact CD2-CE1 3.9Å; L902-Y946 HydrophobicContact CD2-CG 4.24Å; L902-Y946 HydrophobicContact CG-CD1 3.56Å; L902-Y946 HydrophobicContact CG-CE1 4.2Å; L902-Y946 HydrophobicContact CG-CG 3.81Å; L902-Y946 PolarHBondContact N-O 2.83Å; L902-Y946 VanDerWaalsContact N-O 3.07Å; P904-Y946 HydrophobicContact CB-CD2 3.67Å; P904-Y946 HydrophobicContact CB-CE2 3.48Å; P904-Y946 VanDerWaalsContact CB-CE2 3.48Å; P904-Y946 HydrophobicContact CG-CD2 3.6Å; P904-Y946 HydrophobicContact CG-CE2 3.88Å; T942-Y946 HydrophobicContact CG2-CD2 4.05Å; T942-Y946 HydrophobicContact CG2-CE1 3.88Å; T942-Y946 HydrophobicContact CG2-CE2 3.3Å; T942-Y946 WeakPolarHBondContact CG2-OH 3.43Å; T942-Y946 VanDerWaalsContact O-CD2 3.31Å; T942-Y946 WeakPolarHBondContact O-CD2 3.38Å; T942-Y946 PolarHBondContact O-N 2.83Å; V943-Y946 PolarHBondContact O-N 2.81Å |
| 947 | R | 96.6 | Very high | 84.5 | Confident | 55 Ų | 55 | 63.4 Ų | 63.4 | 21% | 0.208 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 12.6 | 178.1 | 71.8 | -168.3 | -174.8 | 165.8 | 3.7 | 114.9 | W767 F770 V773 E775 V943 R944 Y945 Q949 | W767-R947 HydrophobicContact CH2-CB 4.22Å; W767-R947 HydrophobicContact CZ3-CB 3.75Å; F770-R947 HydrophobicContact CE1-CB 4.1Å; V773-R947 PolarHBondContact O-NH1 2.81Å; E775-R947 VanDerWaalsContact CG-NH2 3.26Å; E775-R947 IonicContact OE1-NH2 2.85Å; E775-R947 PolarHBondContact OE1-NH2 3.2Å; V943-R947 WeakPolarHBondContact O-CG 3.47Å; V943-R947 PolarHBondContact O-N 3.16Å; R944-R947 PolarHBondContact O-N 3.42Å; Y945-R947 PolarHBondContact O-N 2.85Å; Y945-R947 VanDerWaalsContact O-N 3.17Å; R947-Q949 PolarHBondContact O-N 2.67Å |
| 948 | S | 96 | Very high | 82.2 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 48% | 0.483 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -67.9 | -18.4 | -179 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | R944 Y945 | R944-S948 PolarHBondContact O-N 3.37Å; R944-S948 VanDerWaalsContact O-N 3.11Å; Y945-S948 VanDerWaalsContact O-CB 3.28Å; Y945-S948 WeakPolarHBondContact O-CB 3.5Å; Y945-S948 PolarHBondContact O-N 3.42Å; Y945-S948 PolarHBondContact O-OG 2.91Å |
| 949 | Q | 94.5 | Very high | 80.3 | Confident | 107 Ų | 107 | 70.3 Ų | 70.3 | 50% | 0.5 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -116.6 | 145.6 | 176.7 | -65.7 | -65.3 | -21.8 | 0 | 0 | 110.2 | P900 P901 R947 | P900-Q949 HydrophobicContact CB-CB 4.1Å; P900-Q949 HydrophobicContact CB-CG 3.98Å; P901-Q949 HydrophobicContact CB-CB 4.38Å; P901-Q949 WeakPolarHBondContact CB-O 3.39Å; R947-Q949 PolarHBondContact O-N 2.67Å |
| 950 | P | 91.9 | Very high | 78.3 | Confident | 86 Ų | 86 | 79.6 Ų | 79.6 | 56% | 0.558 | 44% | 0.438 | S | S | * | . | trans | -72.7 | 146 | 175.3 | 30.3 | -33.9 | 0 | 0 | 0 | 111.3 | N952 | P950-N952 PolarHBondContact O-N 2.76Š| ||
| 951 | F | 90.6 | Very high | 76.4 | Confident | 37 Ų | 37 | 85.3 Ų | 85.3 | 16% | 0.162 | 47% | 0.468 | C | S | . | . | trans | -83.2 | 103.5 | 171.5 | -179.7 | -106.1 | 0 | 0 | 0 | 111 | T763 I764 W767 Y839 P901 P953 | T763-F951 HydrophobicContact CG2-CD1 4.37Å; T763-F951 HydrophobicContact CG2-CD2 4.48Å; T763-F951 HydrophobicContact CG2-CE1 3.76Å; T763-F951 HydrophobicContact CG2-CE2 3.9Å; T763-F951 HydrophobicContact CG2-CZ 3.5Å; T763-F951 VanDerWaalsContact CG2-CZ 3.5Å; I764-F951 HydrophobicContact CG1-CE1 4.2Å; W767-F951 AromaticContact CD1-CD1 3.61Å; W767-F951 AromaticContact CD1-CG 3.45Å; W767-F951 VanDerWaalsContact CD1-CG 3.45Å; W767-F951 HydrophobicContact CD2-CB 3.93Å; W767-F951 HydrophobicContact CG-CB 3.94Å; W767-F951 HydrophobicContact CG-CD1 4.45Å; W767-F951 HydrophobicContact CG-CG 4.27Å; W767-F951 HydrophobicContact CZ2-CB 4.27Å; W767-F951 AromaticContact NE1-CD1 3.97Å; W767-F951 AromaticContact NE1-CD2 3.48Å; W767-F951 AromaticContact NE1-CG 3.33Å; W767-F951 VanDerWaalsContact NE1-CG 3.33Å; Y839-F951 HydrophobicContact CD1-CE2 4.47Å; Y839-F951 HydrophobicContact CD1-CZ 4.17Å; Y839-F951 HydrophobicContact CG-CZ 4.34Å; P901-F951 HydrophobicContact CB-CB 4.35Å; P901-F951 HydrophobicContact CG-CD2 4.33Å; F951-P953 HydrophobicContact CD1-CG 4.27Å; F951-P953 VanDerWaalsContact CE1-CD 3.43Å; F951-P953 HydrophobicContact CE1-CG 3.59Å; F951-P953 HydrophobicContact CE2-CG 4.38Å; F951-P953 HydrophobicContact CZ-CB 4.23Å; F951-P953 HydrophobicContact CZ-CG 3.65Å | ||
| 952 | N | 79.8 | Confident | 75.2 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 74% | 0.743 | 46% | 0.464 | S | S | * | . | trans | -129.5 | 84.3 | 174.8 | -74.7 | -30.1 | 0 | 0 | 0 | 110.6 | P950 | P950-N952 PolarHBondContact O-N 2.76Š| ||
| 953 | P | 66.2 | Low | 74.6 | Confident | 30 Ų | 30 | 88.6 Ų | 88.6 | 20% | 0.195 | 48% | 0.483 | C | S | . | . | trans | -65.1 | 149.3 | 167.6 | 26.3 | -35.9 | 0 | 0 | 0 | 111.6 | Y760 Y839 F951 A955 | Y760-P953 HydrophobicContact CD2-CB 4.44Å; Y760-P953 HydrophobicContact CD2-CG 3.93Å; Y760-P953 HydrophobicContact CE2-CB 3.89Å; Y760-P953 HydrophobicContact CE2-CG 3.16Å; Y839-P953 HydrophobicContact CE1-CB 4.37Å; F951-P953 HydrophobicContact CD1-CG 4.27Å; F951-P953 VanDerWaalsContact CE1-CD 3.43Å; F951-P953 HydrophobicContact CE1-CG 3.59Å; F951-P953 HydrophobicContact CE2-CG 4.38Å; F951-P953 HydrophobicContact CZ-CB 4.23Å; F951-P953 HydrophobicContact CZ-CG 3.65Å; P953-A955 PolarHBondContact O-N 3.25Å | ||
| 954 | D | 62.6 | Low | 74.1 | Confident | 132 Ų | 132 | 92.1 Ų | 92.1 | 71% | 0.706 | 50% | 0.502 | S | S | * | . | trans | -38.4 | 123.5 | -173.6 | -80 | -41 | 0 | 0 | 0 | 114.8 | A956 | D954-A956 PolarHBondContact O-N 3.2Š| ||
| 955 | A | 48.2 | Very low | 73.9 | Confident | 102 Ų | 102 | 88.6 Ų | 88.6 | 84% | 0.843 | 49% | 0.489 | S | S | * | . | G | 310 helix | trans | -58.8 | -5.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | P953 Q957 | P953-A955 PolarHBondContact O-N 3.25Å; A955-Q957 PolarHBondContact O-N 2.94Å |
| 956 | A | 49.9 | Very low | 73.6 | Confident | 97 Ų | 97 | 87.4 Ų | 87.4 | 80% | 0.802 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -73.8 | -4.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D954 | D954-A956 PolarHBondContact O-N 3.2Š|
| 957 | Q | 50.3 | Low | 73.3 | Confident | 52 Ų | 52 | 87.6 Ų | 87.6 | 24% | 0.243 | 49% | 0.489 | C | S | . | . | G | 310 helix | trans | -103.6 | 6 | -168.8 | -76.3 | 170.3 | 30.4 | 0 | 0 | 115.8 | A955 N959 H962 | A955-Q957 PolarHBondContact O-N 2.94Å; Q957-N959 PolarHBondContact O-N 3.25Å; Q957-H962 PolarHBondContact O-NE2 3.1Å |
| 958 | A | 45.9 | Very low | 73.1 | Confident | 86 Ų | 86 | 86.5 Ų | 86.5 | 71% | 0.711 | 49% | 0.485 | S | S | * | . | trans | -70.1 | 70.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 959 | N | 52.7 | Low | 73 | Confident | 128 Ų | 128 | 83.3 Ų | 83.3 | 68% | 0.684 | 46% | 0.463 | S | S | * | . | trans | -81.2 | 155.3 | 172 | -94.3 | -20.6 | 0 | 0 | 0 | 111.2 | Q957 N961 H962 | Q957-N959 PolarHBondContact O-N 3.25Å; N959-N961 PolarHBondContact O-N 3.46Å; N959-H962 PolarHBondContact N-NE2 3.06Å; N959-H962 PolarHBondContact O-CD2 3.39Å | ||
| 960 | K | 51.3 | Low | 72.9 | Confident | 215 Ų | 215 | 78.4 Ų | 78.4 | 94% | 0.935 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -68 | -1.6 | -169.8 | -67.6 | 176.8 | 176.6 | 177.2 | 0 | 116.4 | ||
| 961 | N | 55 | Low | 72.8 | Confident | 119 Ų | 119 | 76.8 Ų | 76.8 | 64% | 0.636 | 43% | 0.425 | S | S | * | . | trans | -111.7 | 41.3 | -179.8 | -73.1 | 0.4 | 0 | 0 | 0 | 113 | N959 D964 V965 | N959-N961 PolarHBondContact O-N 3.46Å; N961-D964 WeakPolarHBondContact CA-OD1 3.33Å; N961-V965 WeakPolarHBondContact O-CG2 3.34Å | ||
| 962 | H | 69.6 | Low | 73 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 19% | 0.194 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -85.6 | -25.6 | 177.1 | -80.4 | -57.6 | 0 | 0 | 0 | 113.8 | Q761 Q957 N959 R966 | Q761-H962 PolarHBondContact NE2-ND1 3.4Å; Q957-H962 PolarHBondContact O-NE2 3.1Å; N959-H962 PolarHBondContact N-NE2 3.06Å; N959-H962 PolarHBondContact O-CD2 3.39Å; H962-R966 WeakPolarHBondContact O-CB 3.4Å; H962-R966 PolarHBondContact O-N 3.42Å |
| 963 | Q | 81.6 | Confident | 73.6 | Confident | 151 Ų | 151 | 73.8 Ų | 73.8 | 71% | 0.706 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -77.3 | -39.8 | -169.6 | -170.8 | 172.4 | -3.7 | 0 | 0 | 112.5 | R966 S967 | Q963-R966 PolarHBondContact O-N 3.32Å; Q963-S967 WeakPolarHBondContact O-CB 3.45Å; Q963-S967 PolarHBondContact O-N 3.42Å; Q963-S967 PolarHBondContact O-OG 2.88Å; Q963-S967 VanDerWaalsContact O-OG 3.06Å |
| 964 | D | 86.5 | Confident | 75.1 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 41% | 0.406 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 173.8 | 56.9 | -42.8 | 0 | 0 | 0 | 111.8 | N961 R966 S967 Y968 | N961-D964 WeakPolarHBondContact CA-OD1 3.33Å; D964-R966 PolarHBondContact O-N 2.64Å; D964-S967 PolarHBondContact O-N 3.32Å; D964-Y968 PolarHBondContact O-N 2.94Å |
| 965 | V | 90.8 | Very high | 76.7 | Confident | 4 Ų | 4 | 66.2 Ų | 66.2 | 2% | 0.024 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | M753 D757 L758 Q761 N961 S967 Y968 V969 | M753-V965 HydrophobicContact CB-CG2 4.24Å; M753-V965 HydrophobicContact CE-CG2 4.36Å; M753-V965 HydrophobicContact CG-CG2 3.89Å; M753-V965 HydrophobicContact SD-CB 4.2Å; M753-V965 HydrophobicContact SD-CG1 4.16Å; M753-V965 HydrophobicContact SD-CG2 3.88Å; D757-V965 HydrophobicContact CB-CG1 4.32Å; D757-V965 HydrophobicContact CB-CG2 4.5Å; L758-V965 HydrophobicContact CD2-CG1 3.99Å; L758-V965 HydrophobicContact CG-CG1 4.4Å; Q761-V965 HydrophobicContact CB-CG1 4.13Å; Q761-V965 HydrophobicContact CG-CB 4.2Å; Q761-V965 HydrophobicContact CG-CG1 3.79Å; N961-V965 WeakPolarHBondContact O-CG2 3.34Å; V965-S967 PolarHBondContact O-N 2.99Å; V965-Y968 PolarHBondContact O-N 2.98Å; V965-V969 HydrophobicContact CG1-CG2 4.35Å; V965-V969 WeakPolarHBondContact O-CB 3.31Å; V965-V969 VanDerWaalsContact O-CG2 3.31Å; V965-V969 WeakPolarHBondContact O-CG2 3.37Å; V965-V969 PolarHBondContact O-N 2.77Å |
| 966 | R | 89.1 | Confident | 78.9 | Confident | 81 Ų | 81 | 61.9 Ų | 61.9 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 176.7 | 178.8 | -179.7 | 175.2 | 154.6 | 4.2 | 111.6 | A640 H962 Q963 D964 R970 | A640-R966 PolarHBondContact O-NE 3.34Å; A640-R966 PolarHBondContact O-NH2 3Å; H962-R966 WeakPolarHBondContact O-CB 3.4Å; H962-R966 PolarHBondContact O-N 3.42Å; Q963-R966 PolarHBondContact O-N 3.32Å; D964-R966 PolarHBondContact O-N 2.64Å; R966-R970 WeakPolarHBondContact O-CB 3.29Å; R966-R970 VanDerWaalsContact O-CG 3.31Å; R966-R970 WeakPolarHBondContact O-CG 3.48Å; R966-R970 PolarHBondContact O-N 3.02Å; R966-R970 VanDerWaalsContact O-N 3.15Å |
| 967 | S | 89.8 | Confident | 81.1 | Confident | 32 Ų | 32 | 58.2 Ų | 58.2 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.4 | -48 | 178.5 | -69.5 | 0 | 0 | 0 | 0 | 111 | Q963 D964 V965 V969 R970 Q971 | Q963-S967 WeakPolarHBondContact O-CB 3.45Å; Q963-S967 PolarHBondContact O-N 3.42Å; Q963-S967 PolarHBondContact O-OG 2.88Å; Q963-S967 VanDerWaalsContact O-OG 3.06Å; D964-S967 PolarHBondContact O-N 3.32Å; V965-S967 PolarHBondContact O-N 2.99Å; S967-V969 PolarHBondContact O-N 3.02Å; S967-R970 PolarHBondContact O-N 2.69Å; S967-Q971 VanDerWaalsContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CB 3.34Å; S967-Q971 VanDerWaalsContact O-CG 3.24Å; S967-Q971 WeakPolarHBondContact O-CG 3.43Å; S967-Q971 PolarHBondContact O-N 2.9Å |
| 968 | Y | 93.3 | Very high | 83.1 | Confident | 32 Ų | 32 | 58.7 Ų | 58.7 | 13% | 0.125 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.6 | -50.6 | 177.7 | 177.6 | -95.8 | 0 | 0 | 0 | 112.2 | T746 T749 F750 M753 L758 W808 D964 V965 R970 Q971 L972 | T746-Y968 WeakPolarHBondContact OG1-CE2 3.08Å; T746-Y968 PolarHBondContact OG1-OH 2.93Å; T746-Y968 VanDerWaalsContact OG1-OH 3.07Å; T749-Y968 HydrophobicContact CG2-CD2 4.32Å; F750-Y968 HydrophobicContact CB-CD1 4.11Å; F750-Y968 HydrophobicContact CB-CE1 3.56Å; F750-Y968 HydrophobicContact CB-CE2 4.15Å; F750-Y968 HydrophobicContact CD1-CE1 4.4Å; F750-Y968 HydrophobicContact CD1-CE2 4.37Å; F750-Y968 AromaticContact CD1-CZ 3.73Å; F750-Y968 WeakPolarHBondContact CD1-OH 3.41Å; F750-Y968 HydrophobicContact CG-CE1 4.02Å; F750-Y968 AromaticContact CG-CZ 3.82Å; F750-Y968 WeakPolarHBondContact CG-OH 3.23Å; M753-Y968 HydrophobicContact CE-CG 4.39Å; M753-Y968 HydrophobicContact SD-CD1 4.3Å; M753-Y968 HydrophobicContact SD-CG 4.37Å; L758-Y968 HydrophobicContact CD2-CD1 4.01Å; L758-Y968 HydrophobicContact CD2-CE1 4.24Å; W808-Y968 AromaticContact CZ2-CE1 3.9Å; W808-Y968 HydrophobicContact CZ2-CE1 3.9Å; W808-Y968 AromaticContact NE1-CZ 3.91Å; W808-Y968 PolarHBondContact NE1-OH 2.92Å; D964-Y968 PolarHBondContact O-N 2.94Å; V965-Y968 PolarHBondContact O-N 2.98Å; Y968-R970 VanDerWaalsContact C-N 3.31Å; Y968-R970 PolarHBondContact O-N 2.92Å; Y968-Q971 PolarHBondContact O-N 3.33Å; Y968-L972 HydrophobicContact CE1-CD2 4.11Å |
| 969 | V | 94.2 | Very high | 85.1 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.1 | -32.4 | -176.1 | 167.2 | 0 | 0 | 0 | 0 | 113.5 | L758 Q761 M762 R801 V965 S967 | L758-V969 HydrophobicContact CD2-CG2 3.91Å; Q761-V969 HydrophobicContact CB-CB 4.38Å; Q761-V969 HydrophobicContact CB-CG1 4.46Å; Q761-V969 HydrophobicContact CB-CG2 4.14Å; M762-V969 HydrophobicContact CB-CG1 4.17Å; M762-V969 HydrophobicContact CG-CB 4.48Å; M762-V969 HydrophobicContact CG-CG1 3.51Å; M762-V969 HydrophobicContact CG-CG2 4.09Å; R801-V969 PolarHBondContact NH1-O 3.07Å; R801-V969 PolarHBondContact NH2-O 2.69Å; V965-V969 HydrophobicContact CG1-CG2 4.35Å; V965-V969 WeakPolarHBondContact O-CB 3.31Å; V965-V969 VanDerWaalsContact O-CG2 3.31Å; V965-V969 WeakPolarHBondContact O-CG2 3.37Å; V965-V969 PolarHBondContact O-N 2.77Å; S967-V969 PolarHBondContact O-N 3.02Å |
| 970 | R | 92 | Very high | 87 | Confident | 4 Ų | 4 | 58.6 Ų | 58.6 | 2% | 0.015 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -88.6 | -6.3 | -179 | -65.9 | -177.1 | -174.6 | -130.6 | -5.4 | 113.6 | R639 Q641 Y765 E768 R966 S967 Y968 | R639-R970 WeakPolarHBondContact O-CD 3.07Å; Q641-R970 PolarHBondContact O-NH1 3.13Å; Y765-R970 HydrophobicContact CD1-CG 4.19Å; Y765-R970 HydrophobicContact CD2-CG 3.75Å; Y765-R970 HydrophobicContact CE1-CG 4.47Å; Y765-R970 HydrophobicContact CE2-CG 4.05Å; Y765-R970 HydrophobicContact CG-CG 3.81Å; E768-R970 VanDerWaalsContact CD-NH2 3.31Å; E768-R970 IonicContact OE1-CZ 3.56Å; E768-R970 IonicContact OE1-NH1 2.77Å; E768-R970 PolarHBondContact OE1-NH1 3.21Å; E768-R970 IonicContact OE1-NH2 2.61Å; E768-R970 PolarHBondContact OE1-NH2 3.35Å; E768-R970 IonicContact OE2-CZ 3.84Å; E768-R970 IonicContact OE2-NH1 3.96Å; E768-R970 PolarHBondContact OE2-NH1 2.76Å; E768-R970 IonicContact OE2-NH2 2.82Å; E768-R970 PolarHBondContact OE2-NH2 3.21Å; R966-R970 WeakPolarHBondContact O-CB 3.29Å; R966-R970 VanDerWaalsContact O-CG 3.31Å; R966-R970 WeakPolarHBondContact O-CG 3.48Å; R966-R970 PolarHBondContact O-N 3.02Å; R966-R970 VanDerWaalsContact O-N 3.15Å; S967-R970 PolarHBondContact O-N 2.69Å; Y968-R970 VanDerWaalsContact C-N 3.31Å; Y968-R970 PolarHBondContact O-N 2.92Å |
| 971 | Q | 90.6 | Very high | 89.1 | Confident | 52 Ų | 52 | 48.4 Ų | 48.4 | 24% | 0.243 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -129.5 | 41 | -173.3 | -57.8 | -176.6 | 3.6 | 0 | 0 | 111.7 | R639 S967 Y968 N973 | R639-Q971 HydrophobicContact CB-CG 3.66Å; R639-Q971 HydrophobicContact CG-CG 4.38Å; S967-Q971 VanDerWaalsContact O-CB 3.29Å; S967-Q971 WeakPolarHBondContact O-CB 3.34Å; S967-Q971 VanDerWaalsContact O-CG 3.24Å; S967-Q971 WeakPolarHBondContact O-CG 3.43Å; S967-Q971 PolarHBondContact O-N 2.9Å; Y968-Q971 PolarHBondContact O-N 3.33Å; Q971-N973 PolarHBondContact O-N 3.4Å |
| 972 | L | 93.1 | Very high | 90.8 | Very high | 9 Ų | 9 | 44 Ų | 44 | 5% | 0.047 | 21% | 0.209 | C | C | . | . | trans | -63 | 132.8 | 177.3 | -61 | 178.9 | 0 | 0 | 0 | 110.2 | E804 W808 Y968 V974 | E804-L972 HydrophobicContact CG-CB 4.14Å; E804-L972 HydrophobicContact CG-CD1 4.29Å; W808-L972 HydrophobicContact CB-CD1 4.1Å; W808-L972 HydrophobicContact CD2-CD1 4.28Å; W808-L972 HydrophobicContact CD2-CD2 4.29Å; W808-L972 HydrophobicContact CG-CD1 4.08Å; W808-L972 HydrophobicContact CG-CD2 4.12Å; Y968-L972 HydrophobicContact CE1-CD2 4.11Å; L972-V974 HydrophobicContact CB-CG1 4.23Å | ||
| 973 | N | 93.7 | Very high | 92 | Very high | 104 Ų | 104 | 47 Ų | 47 | 56% | 0.556 | 22% | 0.223 | S | C | * | . | trans | -114.3 | 125.5 | 167.6 | -68.3 | -39.9 | 0 | 0 | 0 | 107 | Q971 | Q971-N973 PolarHBondContact O-N 3.4Š| ||
| 974 | V | 96.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 41.8 Ų | 41.8 | 1% | 0.012 | 20% | 0.199 | C | C | . | . | trans | -135.6 | 156.9 | -168.9 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | I718 N719 F807 W808 L972 | I718-V974 HydrophobicContact CB-CG2 4.42Å; I718-V974 HydrophobicContact CD1-CG2 4.17Å; I718-V974 HydrophobicContact CG2-CG2 3.62Å; N719-V974 PolarHBondContact ND2-O 2.98Å; F807-V974 HydrophobicContact CB-CB 4.24Å; F807-V974 HydrophobicContact CB-CG2 4.11Å; W808-V974 HydrophobicContact CB-CG1 3.71Å; L972-V974 HydrophobicContact CB-CG1 4.23Å | ||
| 975 | I | 97.3 | Very high | 93.2 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -91.5 | 119 | 166.3 | -55.1 | 172.3 | 0 | 0 | 0 | 106.7 | P742 F807 T811 L815 N977 T980 L981 M984 | P742-I975 HydrophobicContact CG-CG1 4.18Å; P742-I975 WeakPolarHBondContact O-CD1 3.45Å; F807-I975 WeakPolarHBondContact CD1-O 3.31Å; T811-I975 HydrophobicContact CG2-CB 4.38Å; T811-I975 HydrophobicContact CG2-CD1 4.1Å; T811-I975 HydrophobicContact CG2-CG1 3.9Å; T811-I975 PolarHBondContact OG1-N 2.72Å; T811-I975 PolarHBondContact OG1-O 3.42Å; L815-I975 HydrophobicContact CD1-CD1 4.28Å; L815-I975 HydrophobicContact CD2-CD1 4.37Å; L815-I975 HydrophobicContact CG-CD1 4.41Å; I975-N977 HydrophobicContact CG2-CB 4.32Å; I975-T980 HydrophobicContact CG2-CG2 4.26Å; I975-L981 HydrophobicContact CB-CD2 3.92Å; I975-L981 HydrophobicContact CB-CG 4.28Å; I975-L981 HydrophobicContact CD1-CD2 4.19Å; I975-L981 HydrophobicContact CG2-CD1 4.41Å; I975-L981 HydrophobicContact CG2-CD2 3.98Å; I975-L981 HydrophobicContact CG2-CG 3.89Å; I975-M984 HydrophobicContact CD1-CE 3.82Å; I975-M984 HydrophobicContact CD1-SD 3.96Å | ||
| 976 | D | 95 | Very high | 93.3 | Very high | 10 Ų | 10 | 42.2 Ų | 42.2 | 5% | 0.053 | 20% | 0.198 | C | C | . | . | trans | -103.8 | 0 | 174.4 | 66.8 | -18.2 | 0 | 0 | 0 | 112.7 | S698 I718 N719 F807 Q978 | S698-D976 VanDerWaalsContact CB-OD1 3.25Å; S698-D976 WeakPolarHBondContact CB-OD1 3.36Å; S698-D976 PolarHBondContact OG-OD1 3.06Å; I718-D976 HydrophobicContact CB-CB 4.24Å; I718-D976 HydrophobicContact CD1-CB 4.04Å; I718-D976 PolarHBondContact N-OD2 2.91Å; N719-D976 WeakPolarHBondContact CB-OD1 3.37Å; N719-D976 PolarHBondContact N-OD2 3.13Å; N719-D976 PolarHBondContact ND2-OD1 2.92Å; F807-D976 HydrophobicContact CD2-CB 4.07Å; F807-D976 HydrophobicContact CE2-CB 4.24Å; F807-D976 HydrophobicContact CG-CB 4.26Å; D976-Q978 PolarHBondContact O-N 3.49Å | ||
| 977 | N | 94.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 47.3 Ų | 47.3 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | trans | -81 | 101.3 | 173.4 | -174 | -23.2 | 0 | 0 | 0 | 110.9 | S698 I975 R979 T980 L981 | S698-N977 PolarHBondContact O-ND2 2.85Å; S698-N977 PolarHBondContact OG-N 2.9Å; I975-N977 HydrophobicContact CG2-CB 4.32Å; N977-R979 VanDerWaalsContact C-N 3.28Å; N977-R979 PolarHBondContact O-N 3.15Å; N977-R979 WeakPolarHBondContact OD1-CB 3.42Å; N977-R979 PolarHBondContact OD1-N 2.92Å; N977-T980 VanDerWaalsContact CG-OG1 3.28Å; N977-T980 PolarHBondContact ND2-OG1 3.1Å; N977-T980 WeakPolarHBondContact O-CB 3.45Å; N977-T980 PolarHBondContact O-N 2.83Å; N977-T980 PolarHBondContact OD1-N 3.25Å; N977-L981 PolarHBondContact O-N 3.08Å; N977-L981 VanDerWaalsContact O-N 3.13Å | ||
| 978 | Q | 92.3 | Very high | 93.9 | Very high | 62 Ų | 62 | 47.8 Ų | 47.8 | 29% | 0.29 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.3 | -31.9 | -178.7 | -174 | 61.3 | 47.9 | 0 | 0 | 113.4 | N854 D976 L981 S982 | N854-Q978 PolarHBondContact ND2-OE1 2.83Å; N854-Q978 PolarHBondContact OD1-NE2 3.24Å; D976-Q978 PolarHBondContact O-N 3.49Å; Q978-L981 PolarHBondContact O-N 3.24Å; Q978-S982 PolarHBondContact NE2-OG 3.06Å; Q978-S982 WeakPolarHBondContact O-CB 3.4Å; Q978-S982 PolarHBondContact O-N 3.5Å; Q978-S982 PolarHBondContact O-OG 3.16Å; Q978-S982 VanDerWaalsContact O-OG 3.11Å |
| 979 | R | 89.2 | Confident | 94 | Very high | 185 Ų | 185 | 47.1 Ų | 47.1 | 70% | 0.698 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -65.1 | -44.9 | 177 | -68.9 | -178.2 | 179.8 | 169.2 | 0.5 | 110.5 | N977 S982 Q983 | N977-R979 VanDerWaalsContact C-N 3.28Å; N977-R979 PolarHBondContact O-N 3.15Å; N977-R979 WeakPolarHBondContact OD1-CB 3.42Å; N977-R979 PolarHBondContact OD1-N 2.92Å; R979-S982 PolarHBondContact O-N 2.77Å; R979-Q983 VanDerWaalsContact O-CG 3.32Å; R979-Q983 WeakPolarHBondContact O-CG 3.25Å; R979-Q983 PolarHBondContact O-N 2.96Å |
| 980 | T | 92.6 | Very high | 93.8 | Very high | 28 Ų | 28 | 51.8 Ų | 51.8 | 17% | 0.172 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.3 | -48.9 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | I975 N977 S982 Q983 M984 | I975-T980 HydrophobicContact CG2-CG2 4.26Å; N977-T980 VanDerWaalsContact CG-OG1 3.28Å; N977-T980 PolarHBondContact ND2-OG1 3.1Å; N977-T980 WeakPolarHBondContact O-CB 3.45Å; N977-T980 PolarHBondContact O-N 2.83Å; N977-T980 PolarHBondContact OD1-N 3.25Å; T980-S982 PolarHBondContact O-N 3.42Å; T980-Q983 PolarHBondContact O-N 3.27Å; T980-M984 HydrophobicContact CG2-CE 3.68Å; T980-M984 HydrophobicContact CG2-SD 4.28Å; T980-M984 WeakPolarHBondContact O-CG 3.41Å; T980-M984 PolarHBondContact O-N 3.01Å |
| 981 | L | 94.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 178 | -68.1 | 169 | 0 | 0 | 0 | 112.4 | F807 V810 C814 A856 I975 N977 Q978 Q983 M984 S985 | F807-L981 HydrophobicContact CD1-CD1 3.73Å; F807-L981 HydrophobicContact CE1-CD1 3.94Å; V810-L981 HydrophobicContact CB-CD1 4.2Å; V810-L981 HydrophobicContact CG1-CB 4.15Å; V810-L981 HydrophobicContact CG1-CD1 3.71Å; V810-L981 HydrophobicContact CG1-CD2 4.04Å; V810-L981 HydrophobicContact CG1-CG 4.18Å; C814-L981 HydrophobicContact CB-CD2 4.1Å; A856-L981 HydrophobicContact CB-CB 4.27Å; I975-L981 HydrophobicContact CB-CD2 3.92Å; I975-L981 HydrophobicContact CB-CG 4.28Å; I975-L981 HydrophobicContact CD1-CD2 4.19Å; I975-L981 HydrophobicContact CG2-CD1 4.41Å; I975-L981 HydrophobicContact CG2-CD2 3.98Å; I975-L981 HydrophobicContact CG2-CG 3.89Å; N977-L981 PolarHBondContact O-N 3.08Å; N977-L981 VanDerWaalsContact O-N 3.13Å; Q978-L981 PolarHBondContact O-N 3.24Å; L981-Q983 PolarHBondContact O-N 3.18Å; L981-M984 PolarHBondContact O-N 2.91Å; L981-S985 WeakPolarHBondContact O-CB 3.33Å; L981-S985 PolarHBondContact O-N 3.32Å |
| 982 | S | 91.9 | Very high | 91.4 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 20% | 0.196 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 175.8 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | R859 Q978 R979 T980 S985 H986 | R859-S982 PolarHBondContact NH2-O 3.32Å; Q978-S982 PolarHBondContact NE2-OG 3.06Å; Q978-S982 WeakPolarHBondContact O-CB 3.4Å; Q978-S982 PolarHBondContact O-N 3.5Å; Q978-S982 PolarHBondContact O-OG 3.16Å; Q978-S982 VanDerWaalsContact O-OG 3.11Å; R979-S982 PolarHBondContact O-N 2.77Å; T980-S982 PolarHBondContact O-N 3.42Å; S982-S985 PolarHBondContact O-N 3.08Å; S982-H986 PolarHBondContact O-N 2.94Å; S982-H986 PolarHBondContact O-ND1 3.19Å |
| 983 | Q | 93.1 | Very high | 88.9 | Confident | 104 Ų | 104 | 79 Ų | 79 | 49% | 0.486 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.7 | -43.9 | 177.1 | -72.4 | 174.7 | 8.8 | 0 | 0 | 112.1 | R979 T980 L981 S985 H986 R987 | R979-Q983 VanDerWaalsContact O-CG 3.32Å; R979-Q983 WeakPolarHBondContact O-CG 3.25Å; R979-Q983 PolarHBondContact O-N 2.96Å; T980-Q983 PolarHBondContact O-N 3.27Å; L981-Q983 PolarHBondContact O-N 3.18Å; Q983-S985 VanDerWaalsContact C-N 3.32Å; Q983-S985 PolarHBondContact O-N 3.42Å; Q983-H986 PolarHBondContact O-N 3.15Å; Q983-R987 WeakPolarHBondContact O-CG 3.46Å; Q983-R987 PolarHBondContact O-N 3.09Å; Q983-R987 VanDerWaalsContact O-N 3.1Å |
| 984 | M | 96.4 | Very high | 88.6 | Confident | 41 Ų | 41 | 77.7 Ų | 77.7 | 20% | 0.202 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.2 | -48 | 175.2 | -71.9 | 175.3 | 174.3 | 0 | 0 | 110.9 | C814 L815 I975 T980 L981 H986 R987 L988 | C814-M984 HydrophobicContact CB-CB 4.05Å; C814-M984 HydrophobicContact CB-SD 4.37Å; L815-M984 HydrophobicContact CD2-CE 3.96Å; L815-M984 HydrophobicContact CD2-SD 3.95Å; I975-M984 HydrophobicContact CD1-CE 3.82Å; I975-M984 HydrophobicContact CD1-SD 3.96Å; T980-M984 HydrophobicContact CG2-CE 3.68Å; T980-M984 HydrophobicContact CG2-SD 4.28Å; T980-M984 WeakPolarHBondContact O-CG 3.41Å; T980-M984 PolarHBondContact O-N 3.01Å; L981-M984 PolarHBondContact O-N 2.91Å; M984-H986 PolarHBondContact O-N 2.69Å; M984-R987 WeakPolarHBondContact O-CB 3.36Å; M984-R987 PolarHBondContact O-N 2.97Å; M984-R987 VanDerWaalsContact O-N 3.1Å; M984-L988 WeakPolarHBondContact O-CG 3.19Å; M984-L988 PolarHBondContact O-N 3.18Å |
| 985 | S | 96.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.3 | -39.9 | 178.8 | 169.4 | 0 | 0 | 0 | 0 | 113.3 | A856 R859 L860 L981 S982 Q983 R987 L988 E989 | A856-S985 WeakPolarHBondContact O-CB 3.46Å; A856-S985 PolarHBondContact O-OG 2.68Å; R859-S985 PolarHBondContact NH2-OG 2.8Å; L860-S985 WeakPolarHBondContact CD2-OG 3.39Å; L981-S985 WeakPolarHBondContact O-CB 3.33Å; L981-S985 PolarHBondContact O-N 3.32Å; S982-S985 PolarHBondContact O-N 3.08Å; Q983-S985 VanDerWaalsContact C-N 3.32Å; Q983-S985 PolarHBondContact O-N 3.42Å; S985-R987 VanDerWaalsContact C-N 3.28Å; S985-R987 PolarHBondContact O-N 3.31Å; S985-L988 WeakPolarHBondContact O-CB 3.34Å; S985-L988 PolarHBondContact O-N 2.88Å; S985-L988 VanDerWaalsContact O-N 3.12Å; S985-E989 PolarHBondContact O-N 2.84Å |
| 986 | H | 94 | Very high | 87.8 | Confident | 90 Ų | 90 | 86.2 Ų | 86.2 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.4 | -32.6 | 173.6 | -75.1 | 88.9 | 0 | 0 | 0 | 113 | R859 S982 Q983 M984 L988 E989 P990 | R859-H986 VanDerWaalsContact CZ-CE1 3.44Å; R859-H986 PolarHBondContact NH2-ND1 2.84Å; S982-H986 PolarHBondContact O-N 2.94Å; S982-H986 PolarHBondContact O-ND1 3.19Å; Q983-H986 PolarHBondContact O-N 3.15Å; M984-H986 PolarHBondContact O-N 2.69Å; H986-L988 VanDerWaalsContact C-N 3.34Å; H986-E989 CarbonylContact O-C 3.57Å; H986-P990 WeakPolarHBondContact O-CA 3.35Å; H986-P990 WeakPolarHBondContact O-CG 3.47Å |
| 987 | R | 95.1 | Very high | 87.3 | Confident | 188 Ų | 188 | 90.6 Ų | 90.6 | 71% | 0.709 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -71.9 | -29.2 | 174.4 | -65.9 | 172.3 | -169.7 | 169.1 | 5.8 | 112.2 | Q983 M984 S985 | Q983-R987 WeakPolarHBondContact O-CG 3.46Å; Q983-R987 PolarHBondContact O-N 3.09Å; Q983-R987 VanDerWaalsContact O-N 3.1Å; M984-R987 WeakPolarHBondContact O-CB 3.36Å; M984-R987 PolarHBondContact O-N 2.97Å; M984-R987 VanDerWaalsContact O-N 3.1Å; S985-R987 VanDerWaalsContact C-N 3.28Å; S985-R987 PolarHBondContact O-N 3.31Å |
| 988 | L | 95.7 | Very high | 86.9 | Confident | 41 Ų | 41 | 95.1 Ų | 95.1 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -73.2 | -45.1 | 176.1 | -66.8 | 178.8 | 0 | 0 | 0 | 112.3 | C814 L860 M984 S985 H986 | C814-L988 WeakPolarHBondContact O-CD1 3.4Å; L860-L988 HydrophobicContact CD2-CB 4.38Å; M984-L988 WeakPolarHBondContact O-CG 3.19Å; M984-L988 PolarHBondContact O-N 3.18Å; S985-L988 WeakPolarHBondContact O-CB 3.34Å; S985-L988 PolarHBondContact O-N 2.88Å; S985-L988 VanDerWaalsContact O-N 3.12Å; H986-L988 VanDerWaalsContact C-N 3.34Å |
| 989 | E | 95.1 | Very high | 86.5 | Confident | 18 Ų | 18 | 97.3 Ų | 97.3 | 8% | 0.084 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -137.9 | 86.1 | -179 | -65.2 | -176 | -156.7 | 0 | 0 | 110.6 | R822 L860 A861 L862 T863 S985 H986 R991 | R822-E989 IonicContact CZ-OE1 2.74Å; R822-E989 IonicContact NE-OE1 2.78Å; R822-E989 IonicContact NH2-OE1 3.33Å; R822-E989 PolarHBondContact NH2-OE1 2.77Å; L860-E989 VanDerWaalsContact CA-OE2 3.28Å; L860-E989 WeakPolarHBondContact CA-OE2 3.21Å; L860-E989 HydrophobicContact CD2-CB 3.94Å; L860-E989 HydrophobicContact CD2-CG 3.89Å; A861-E989 PolarHBondContact N-OE2 2.69Å; L862-E989 WeakPolarHBondContact CB-OE2 3.48Å; L862-E989 HydrophobicContact CD1-CG 4.31Å; L862-E989 PolarHBondContact N-OE2 3.25Å; T863-E989 PolarHBondContact N-OE1 3.33Å; T863-E989 PolarHBondContact OG1-OE1 2.93Å; S985-E989 PolarHBondContact O-N 2.84Å; H986-E989 CarbonylContact O-C 3.57Å; E989-R991 PolarHBondContact O-N 2.99Å |
| 990 | P | 91.4 | Very high | 86.3 | Confident | 100 Ų | 100 | 91 Ų | 91 | 65% | 0.649 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 131 | 176.5 | -19.9 | 31.6 | 0 | 0 | 0 | 111.3 | H986 | H986-P990 WeakPolarHBondContact O-CA 3.35Å; H986-P990 WeakPolarHBondContact O-CG 3.47Å |
| 991 | R | 77.9 | Confident | 85.8 | Confident | 195 Ų | 195 | 95.8 Ų | 95.8 | 74% | 0.736 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 132.8 | 166.6 | -96.2 | -179.8 | 165.8 | 144.8 | -2.6 | 108.6 | E989 | E989-R991 PolarHBondContact O-N 2.99Š|
| 992 | R | 52.9 | Low | 85.1 | Confident | 239 Ų | 239 | 103.8 Ų | 103.8 | 90% | 0.902 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -63 | 135 | 168 | -72.3 | -176 | -179.7 | -177.2 | 0.4 | 107.8 | ||
| 993 | P | 40.9 | Very low | 84.5 | Confident | 202 Ų | 202 | 110.7 Ų | 110.7 | 100% | 1.312 | 52% | 0.519 | S | S | * | . | trans | -61.4 | 0 | -178.6 | 26.4 | -34.3 | 0 | 0 | 0 | 112.5 |
Retrieved 993 of 993 residues in 357.4 ms
(Link to these results)