| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 78.5 | Confident | 94.2 | Very high | 114 Ų | 114 | 64.2 Ų | 64.2 | 56% | 0.562 | 33% | 0.331 | S | S | * | . | 0 | 132.5 | 0 | -167 | 176.9 | -53.1 | 0 | 0 | 107.7 | L6 K9 K32 | M1-L6 HydrophobicContact CB-CD2 4.46Å; M1-L6 HydrophobicContact CB-CG 4.37Å; M1-L6 HydrophobicContact CG-CD2 4.3Å; M1-L6 HydrophobicContact CG-CG 4.12Å; M1-L6 HydrophobicContact SD-CD2 3.62Å; M1-L6 HydrophobicContact SD-CG 3.96Å; M1-K9 HydrophobicContact CE-CD 4.25Å; M1-K9 HydrophobicContact SD-CD 3.71Å; M1-K32 WeakPolarHBondContact O-CE 3.43Å | |||
| 2 | E | 91.5 | Very high | 94.5 | Very high | 148 Ų | 148 | 67 Ų | 67 | 69% | 0.692 | 35% | 0.346 | S | S | * | . | trans | -67.3 | 149.9 | 179.4 | -64.9 | -53 | 125.8 | 0 | 0 | 111.8 | A4 S5 L6 | E2-A4 VanDerWaalsContact C-N 3.31Å; E2-A4 PolarHBondContact O-N 3.27Å; E2-S5 WeakPolarHBondContact O-CB 3.47Å; E2-S5 PolarHBondContact O-N 3.45Å; E2-L6 PolarHBondContact O-N 3.04Å; E2-L6 VanDerWaalsContact O-N 3.1Å | ||
| 3 | R | 92.3 | Very high | 94.7 | Very high | 28 Ų | 28 | 62.2 Ų | 62.2 | 11% | 0.106 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54 | -46.7 | 179.2 | -172.7 | -177.3 | 176.4 | -82 | 4.3 | 111.8 | S5 L6 I7 A29 K32 E34 E35 E40 | R3-S5 VanDerWaalsContact C-N 3.28Å; R3-S5 PolarHBondContact O-N 3.45Å; R3-L6 WeakPolarHBondContact O-CB 3.37Å; R3-L6 PolarHBondContact O-N 3.36Å; R3-L6 VanDerWaalsContact O-N 3.09Å; R3-I7 WeakPolarHBondContact O-CG1 3.33Å; R3-I7 PolarHBondContact O-N 3.3Å; R3-A29 HydrophobicContact CG-CB 4.34Å; R3-K32 HydrophobicContact CB-CB 4.38Å; R3-K32 HydrophobicContact CB-CG 4.09Å; R3-K32 HydrophobicContact CG-CB 4.4Å; R3-K32 HydrophobicContact CG-CG 4.4Å; R3-E34 WeakPolarHBondContact CD-OE1 3.24Å; R3-E34 WeakPolarHBondContact CD-OE2 3.36Å; R3-E34 IonicContact CZ-OE2 3.66Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.06Å; R3-E34 IonicContact NH1-OE2 3.33Å; R3-E35 PolarHBondContact NH2-O 3.42Å; R3-E40 IonicContact CZ-OE1 3.52Å; R3-E40 IonicContact CZ-OE2 2.87Å; R3-E40 IonicContact NH1-OE1 2.68Å; R3-E40 PolarHBondContact NH1-OE1 3.36Å; R3-E40 IonicContact NH1-OE2 2.67Å; R3-E40 IonicContact NH2-OE1 3.96Å; R3-E40 PolarHBondContact NH2-OE1 2.87Å; R3-E40 IonicContact NH2-OE2 3.01Å; R3-E40 PolarHBondContact NH2-OE2 3.01Å |
| 4 | A | 93.6 | Very high | 95 | Very high | 75 Ų | 75 | 62.4 Ų | 62.4 | 62% | 0.62 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59 | -38 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | E2 I7 Q8 | E2-A4 VanDerWaalsContact C-N 3.31Å; E2-A4 PolarHBondContact O-N 3.27Å; A4-I7 PolarHBondContact O-N 2.86Å; A4-Q8 PolarHBondContact O-N 3.37Å |
| 5 | S | 96 | Very high | 95.1 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | E2 R3 Q8 K9 | E2-S5 WeakPolarHBondContact O-CB 3.47Å; E2-S5 PolarHBondContact O-N 3.45Å; R3-S5 VanDerWaalsContact C-N 3.28Å; R3-S5 PolarHBondContact O-N 3.45Å; S5-Q8 PolarHBondContact O-N 2.62Å; S5-K9 WeakPolarHBondContact O-CG 3.28Å; S5-K9 PolarHBondContact O-N 3.48Å |
| 6 | L | 97 | Very high | 95.2 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 8% | 0.084 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 175.4 | -70 | 162.3 | 0 | 0 | 0 | 111.6 | M1 E2 R3 Q8 K9 A10 F25 G28 A29 | M1-L6 HydrophobicContact CB-CD2 4.46Å; M1-L6 HydrophobicContact CB-CG 4.37Å; M1-L6 HydrophobicContact CG-CD2 4.3Å; M1-L6 HydrophobicContact CG-CG 4.12Å; M1-L6 HydrophobicContact SD-CD2 3.62Å; M1-L6 HydrophobicContact SD-CG 3.96Å; E2-L6 PolarHBondContact O-N 3.04Å; E2-L6 VanDerWaalsContact O-N 3.1Å; R3-L6 WeakPolarHBondContact O-CB 3.37Å; R3-L6 PolarHBondContact O-N 3.36Å; R3-L6 VanDerWaalsContact O-N 3.09Å; L6-Q8 VanDerWaalsContact C-N 3.34Å; L6-Q8 PolarHBondContact O-N 2.94Å; L6-K9 PolarHBondContact O-N 3.44Å; L6-A10 PolarHBondContact O-N 3Å; L6-F25 HydrophobicContact CD2-CD1 4.07Å; L6-G28 WeakPolarHBondContact CD1-O 3.39Å; L6-A29 HydrophobicContact CB-CB 4.03Å |
| 7 | I | 96.9 | Very high | 95.3 | Very high | 11 Ų | 11 | 72.4 Ų | 72.4 | 6% | 0.056 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -61.6 | -42.5 | 176.3 | -61.8 | -54.3 | 0 | 0 | 0 | 111.4 | R3 A4 K9 A10 K11 M26 A29 E40 L43 | R3-I7 WeakPolarHBondContact O-CG1 3.33Å; R3-I7 PolarHBondContact O-N 3.3Å; A4-I7 PolarHBondContact O-N 2.86Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.37Å; I7-A10 WeakPolarHBondContact O-CB 3.3Å; I7-A10 PolarHBondContact O-N 3.16Å; I7-K11 WeakPolarHBondContact O-CG 3.44Å; I7-K11 PolarHBondContact O-N 3.41Å; I7-M26 HydrophobicContact CD1-CE 3.75Å; I7-M26 HydrophobicContact CD1-SD 3.64Å; I7-A29 HydrophobicContact CD1-CB 3.55Å; I7-A29 HydrophobicContact CG1-CB 4.26Å; I7-E40 HydrophobicContact CD1-CB 4.4Å; I7-E40 HydrophobicContact CD1-CG 3.86Å; I7-E40 HydrophobicContact CG1-CG 4.22Å; I7-E40 HydrophobicContact CG2-CG 4.23Å; I7-L43 HydrophobicContact CG2-CD1 4.19Å |
| 8 | Q | 96.9 | Very high | 95.4 | Very high | 130 Ų | 130 | 76.2 Ų | 76.2 | 61% | 0.607 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.1 | -41.8 | 175.9 | -172.4 | 179.9 | 4.2 | 0 | 0 | 111.9 | A4 S5 L6 K11 L12 | A4-Q8 PolarHBondContact O-N 3.37Å; S5-Q8 PolarHBondContact O-N 2.62Å; L6-Q8 VanDerWaalsContact C-N 3.34Å; L6-Q8 PolarHBondContact O-N 2.94Å; Q8-K11 PolarHBondContact O-N 2.95Å; Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.06Å |
| 9 | K | 97.8 | Very high | 95.5 | Very high | 76 Ų | 76 | 75.4 Ų | 75.4 | 33% | 0.33 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 175.4 | -73.6 | -173.8 | -177.2 | -164 | 0 | 112.7 | M1 S5 L6 I7 L12 A13 F25 | M1-K9 HydrophobicContact CE-CD 4.25Å; M1-K9 HydrophobicContact SD-CD 3.71Å; S5-K9 WeakPolarHBondContact O-CG 3.28Å; S5-K9 PolarHBondContact O-N 3.48Å; L6-K9 PolarHBondContact O-N 3.44Å; I7-K9 VanDerWaalsContact C-N 3.34Å; I7-K9 PolarHBondContact O-N 3.37Å; K9-L12 PolarHBondContact O-N 3.32Å; K9-A13 WeakPolarHBondContact O-CB 3.26Å; K9-A13 PolarHBondContact O-N 3.4Å; K9-F25 HydrophobicContact CB-CB 4.46Å; K9-F25 HydrophobicContact CB-CD1 3.98Å; K9-F25 HydrophobicContact CB-CD2 3.62Å; K9-F25 HydrophobicContact CB-CE1 4.11Å; K9-F25 HydrophobicContact CB-CE2 3.75Å; K9-F25 HydrophobicContact CB-CG 3.76Å; K9-F25 HydrophobicContact CB-CZ 4.01Å; K9-F25 HydrophobicContact CD-CD1 4.12Å; K9-F25 HydrophobicContact CD-CE1 3.69Å; K9-F25 HydrophobicContact CD-CE2 4.5Å; K9-F25 HydrophobicContact CD-CZ 3.91Å |
| 10 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L6 I7 L12 A13 E14 M22 F25 M26 | L6-A10 PolarHBondContact O-N 3Å; I7-A10 WeakPolarHBondContact O-CB 3.3Å; I7-A10 PolarHBondContact O-N 3.16Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.73Å; A10-A13 PolarHBondContact O-N 3.28Å; A10-E14 PolarHBondContact O-N 3.34Å; A10-M22 HydrophobicContact CB-CG 4.29Å; A10-F25 HydrophobicContact CB-CB 4.04Å; A10-M26 HydrophobicContact CB-CG 3.72Å; A10-M26 HydrophobicContact CB-SD 3.5Å; A10-M26 WeakPolarHBondContact CB-SD 3.48Å |
| 11 | K | 97.5 | Very high | 95.7 | Very high | 66 Ų | 66 | 77.1 Ų | 77.1 | 29% | 0.287 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 174.8 | -68.4 | -179.6 | -178.8 | -170 | 0 | 112.4 | I7 Q8 Q15 E39 L43 | I7-K11 WeakPolarHBondContact O-CG 3.44Å; I7-K11 PolarHBondContact O-N 3.41Å; Q8-K11 PolarHBondContact O-N 2.95Å; K11-Q15 WeakPolarHBondContact O-CG 3.46Å; K11-Q15 PolarHBondContact O-N 2.78Å; K11-E39 VanDerWaalsContact CE-OE1 3.27Å; K11-E39 WeakPolarHBondContact CE-OE1 3.43Å; K11-E39 IonicContact NZ-OE1 2.77Å; K11-E39 PolarHBondContact NZ-OE1 3.42Å; K11-E39 IonicContact NZ-OE2 3.44Å; K11-E39 PolarHBondContact NZ-OE2 3.14Å; K11-L43 HydrophobicContact CD-CD1 4.49Å; K11-L43 HydrophobicContact CG-CD1 3.83Å; K11-L43 HydrophobicContact CG-CD2 4.12Å |
| 12 | L | 97.9 | Very high | 96.6 | Very high | 98 Ų | 98 | 71.7 Ų | 71.7 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 174.7 | -69.5 | 171.5 | 0 | 0 | 0 | 112.1 | Q8 K9 A10 E14 Q15 A16 | Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.06Å; K9-L12 PolarHBondContact O-N 3.32Å; A10-L12 VanDerWaalsContact C-N 3.35Å; A10-L12 PolarHBondContact O-N 2.73Å; L12-E14 VanDerWaalsContact C-N 3.35Å; L12-Q15 PolarHBondContact O-N 3.4Å; L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.24Å |
| 13 | A | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 65 Ų | 65 | 4% | 0.041 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.4 | -38.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | K9 A10 A16 E17 R18 D21 M22 F25 | K9-A13 WeakPolarHBondContact O-CB 3.26Å; K9-A13 PolarHBondContact O-N 3.4Å; A10-A13 PolarHBondContact O-N 3.28Å; A13-A16 CarbonylContact O-C 3.51Å; A13-A16 PolarHBondContact O-N 3.38Å; A13-E17 PolarHBondContact O-N 2.87Å; A13-E17 VanDerWaalsContact O-N 3.09Å; A13-R18 HydrophobicContact CB-CB 4.43Å; A13-R18 PolarHBondContact O-N 3.3Å; A13-D21 HydrophobicContact CB-CB 4.13Å; A13-M22 HydrophobicContact CB-CB 3.8Å; A13-M22 HydrophobicContact CB-CG 4.46Å; A13-F25 HydrophobicContact CB-CD2 4.15Å; A13-F25 HydrophobicContact CB-CE2 4.21Å |
| 14 | E | 97.7 | Very high | 97.1 | Very high | 64 Ų | 64 | 66.6 Ų | 66.6 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.7 | -50.7 | 171.7 | -175.3 | -179.3 | -143.7 | 0 | 0 | 111.3 | A10 L12 A16 E17 M22 L43 | A10-E14 PolarHBondContact O-N 3.34Å; L12-E14 VanDerWaalsContact C-N 3.35Å; E14-A16 PolarHBondContact O-N 2.96Å; E14-E17 PolarHBondContact O-N 2.94Å; E14-M22 HydrophobicContact CB-CE 3.78Å; E14-M22 HydrophobicContact CB-SD 3.77Å; E14-M22 HydrophobicContact CG-CE 3.97Å; E14-M22 HydrophobicContact CG-SD 4.17Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.34Å |
| 15 | Q | 97.1 | Very high | 97.3 | Very high | 153 Ų | 153 | 65.5 Ų | 65.5 | 72% | 0.715 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -63.2 | -29.1 | 178.7 | -70.5 | 177.7 | 0.3 | 0 | 0 | 113.1 | K11 L12 E17 | K11-Q15 WeakPolarHBondContact O-CG 3.46Å; K11-Q15 PolarHBondContact O-N 2.78Å; L12-Q15 PolarHBondContact O-N 3.4Å; Q15-E17 VanDerWaalsContact C-N 3.32Å |
| 16 | A | 97.4 | Very high | 97.4 | Very high | 61 Ų | 61 | 63.5 Ų | 63.5 | 50% | 0.504 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L12 A13 E14 R18 | L12-A16 WeakPolarHBondContact O-CB 3.41Å; L12-A16 PolarHBondContact O-N 3.24Å; A13-A16 CarbonylContact O-C 3.51Å; A13-A16 PolarHBondContact O-N 3.38Å; E14-A16 PolarHBondContact O-N 2.96Å; A16-R18 HydrophobicContact CB-CG 4.04Å; A16-R18 PolarHBondContact O-N 3.4Å; A16-R18 VanDerWaalsContact O-N 3.13Å |
| 17 | E | 96.6 | Very high | 97.4 | Very high | 143 Ų | 143 | 67.9 Ų | 67.9 | 67% | 0.668 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 26.4 | -173.6 | -56.9 | -171.9 | -170.5 | 0 | 0 | 113.8 | A13 E14 Q15 Y19 | A13-E17 PolarHBondContact O-N 2.87Å; A13-E17 VanDerWaalsContact O-N 3.09Å; E14-E17 PolarHBondContact O-N 2.94Å; Q15-E17 VanDerWaalsContact C-N 3.32Å; E17-Y19 HydrophobicContact CB-CE2 3.88Å; E17-Y19 HydrophobicContact CG-CE2 4.49Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 3.45Å |
| 18 | R | 97.6 | Very high | 97.3 | Very high | 141 Ų | 141 | 68 Ų | 68 | 53% | 0.532 | 34% | 0.337 | S | S | . | . | trans | -91 | 69.4 | 176.8 | -66.6 | 179.7 | 63.2 | 97.2 | 8.8 | 109.7 | A13 A16 E20 D21 M22 | A13-R18 HydrophobicContact CB-CB 4.43Å; A13-R18 PolarHBondContact O-N 3.3Å; A16-R18 HydrophobicContact CB-CG 4.04Å; A16-R18 PolarHBondContact O-N 3.4Å; A16-R18 VanDerWaalsContact O-N 3.13Å; R18-E20 VanDerWaalsContact C-N 3.31Å; R18-E20 PolarHBondContact O-N 3.24Å; R18-D21 HydrophobicContact CB-CB 4.12Å; R18-D21 IonicContact CZ-OD2 3.83Å; R18-D21 IonicContact NE-OD1 3.24Å; R18-D21 IonicContact NE-OD2 3.96Å; R18-D21 PolarHBondContact NE-OD2 2.95Å; R18-D21 IonicContact NH2-OD1 2.75Å; R18-D21 PolarHBondContact NH2-OD1 3.2Å; R18-D21 IonicContact NH2-OD2 3.45Å; R18-D21 PolarHBondContact NH2-OD2 3.34Å; R18-D21 WeakPolarHBondContact O-CB 3.39Å; R18-D21 PolarHBondContact O-N 3.44Å; R18-M22 PolarHBondContact O-N 3Å | ||
| 19 | Y | 97.4 | Very high | 97.3 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 24% | 0.243 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -27.3 | -170.9 | -56.9 | -70.2 | 0 | 0 | 0 | 114.6 | E17 M22 A23 N50 V51 | E17-Y19 HydrophobicContact CB-CE2 3.88Å; E17-Y19 HydrophobicContact CG-CE2 4.49Å; E17-Y19 WeakPolarHBondContact O-CD2 3.48Å; E17-Y19 PolarHBondContact O-N 3.45Å; Y19-M22 HydrophobicContact CD1-SD 4.17Å; Y19-M22 PolarHBondContact O-N 3.03Å; Y19-A23 WeakPolarHBondContact O-CB 3.3Å; Y19-A23 PolarHBondContact O-N 2.78Å; Y19-N50 HydrophobicContact CD1-CB 3.48Å; Y19-N50 VanDerWaalsContact CD1-CB 3.48Å; Y19-N50 HydrophobicContact CD2-CB 3.61Å; Y19-N50 HydrophobicContact CE1-CB 3.89Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.28Å; Y19-N50 HydrophobicContact CE2-CB 4.02Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; Y19-V51 WeakPolarHBondContact O-CG2 3.43Å |
| 20 | E | 96.4 | Very high | 97.2 | Very high | 137 Ų | 137 | 61.2 Ų | 61.2 | 64% | 0.64 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.2 | -48.3 | 172.8 | -66.3 | -175.2 | 172 | 0 | 0 | 111.1 | R18 M22 A23 A24 V51 | R18-E20 VanDerWaalsContact C-N 3.31Å; R18-E20 PolarHBondContact O-N 3.24Å; E20-M22 VanDerWaalsContact C-N 3.32Å; E20-M22 PolarHBondContact O-N 2.88Å; E20-A23 PolarHBondContact O-N 3.27Å; E20-A24 PolarHBondContact O-N 3.16Å; E20-V51 HydrophobicContact CG-CG2 4.34Å |
| 21 | D | 97.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 67.6 Ų | 67.6 | 26% | 0.262 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 173.6 | -61.3 | 20.8 | 0 | 0 | 0 | 110.9 | A13 R18 A23 A24 F25 | A13-D21 HydrophobicContact CB-CB 4.13Å; R18-D21 HydrophobicContact CB-CB 4.12Å; R18-D21 IonicContact CZ-OD2 3.83Å; R18-D21 IonicContact NE-OD1 3.24Å; R18-D21 IonicContact NE-OD2 3.96Å; R18-D21 PolarHBondContact NE-OD2 2.95Å; R18-D21 IonicContact NH2-OD1 2.75Å; R18-D21 PolarHBondContact NH2-OD1 3.2Å; R18-D21 IonicContact NH2-OD2 3.45Å; R18-D21 PolarHBondContact NH2-OD2 3.34Å; R18-D21 WeakPolarHBondContact O-CB 3.39Å; R18-D21 PolarHBondContact O-N 3.44Å; D21-A23 VanDerWaalsContact C-N 3.33Å; D21-A23 PolarHBondContact O-N 2.71Å; D21-A24 PolarHBondContact O-N 3.39Å; D21-F25 HydrophobicContact CB-CD2 4.34Å; D21-F25 HydrophobicContact CB-CE2 3.84Å; D21-F25 HydrophobicContact CB-CZ 4.49Å; D21-F25 WeakPolarHBondContact O-CD2 3.38Å; D21-F25 VanDerWaalsContact O-CG 3.31Å; D21-F25 WeakPolarHBondContact O-CG 3.46Å; D21-F25 PolarHBondContact O-N 3.33Å |
| 22 | M | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.5 | -46 | 176.9 | -169.7 | -170 | 178.8 | 0 | 0 | 111.1 | A10 A13 E14 R18 Y19 E20 F25 M26 L43 V46 A47 | A10-M22 HydrophobicContact CB-CG 4.29Å; A13-M22 HydrophobicContact CB-CB 3.8Å; A13-M22 HydrophobicContact CB-CG 4.46Å; E14-M22 HydrophobicContact CB-CE 3.78Å; E14-M22 HydrophobicContact CB-SD 3.77Å; E14-M22 HydrophobicContact CG-CE 3.97Å; E14-M22 HydrophobicContact CG-SD 4.17Å; R18-M22 PolarHBondContact O-N 3Å; Y19-M22 HydrophobicContact CD1-SD 4.17Å; Y19-M22 PolarHBondContact O-N 3.03Å; E20-M22 VanDerWaalsContact C-N 3.32Å; E20-M22 PolarHBondContact O-N 2.88Å; M22-F25 PolarHBondContact O-N 2.96Å; M22-M26 WeakPolarHBondContact O-CB 3.15Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.4Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.53Å; M22-L43 HydrophobicContact CE-CG 4.39Å; M22-L43 WeakPolarHBondContact CE-O 3.48Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.15Å; M22-V46 HydrophobicContact SD-CG1 4.39Å; M22-A47 HydrophobicContact CB-CB 4.07Å; M22-A47 HydrophobicContact CE-CB 4.19Å; M22-A47 HydrophobicContact CG-CB 3.69Å; M22-A47 HydrophobicContact SD-CB 3.67Å |
| 23 | A | 97.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 68.4 Ų | 68.4 | 7% | 0.074 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.7 | -41 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y19 E20 D21 M26 K27 A47 Y48 V51 | Y19-A23 WeakPolarHBondContact O-CB 3.3Å; Y19-A23 PolarHBondContact O-N 2.78Å; E20-A23 PolarHBondContact O-N 3.27Å; D21-A23 VanDerWaalsContact C-N 3.33Å; D21-A23 PolarHBondContact O-N 2.71Å; A23-M26 PolarHBondContact O-N 3.14Å; A23-K27 VanDerWaalsContact O-CB 3.25Å; A23-K27 WeakPolarHBondContact O-CB 3.34Å; A23-K27 PolarHBondContact O-N 2.75Å; A23-A47 HydrophobicContact CB-CB 4.05Å; A23-Y48 HydrophobicContact CB-CD2 4.42Å; A23-Y48 HydrophobicContact CB-CE2 4.19Å; A23-V51 HydrophobicContact CB-CG2 4.12Å |
| 24 | A | 97.6 | Very high | 96.1 | Very high | 61 Ų | 61 | 73.6 Ų | 73.6 | 50% | 0.504 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E20 D21 G28 | E20-A24 PolarHBondContact O-N 3.16Å; D21-A24 PolarHBondContact O-N 3.39Å; A24-G28 PolarHBondContact O-N 3.07Å |
| 25 | F | 97.7 | Very high | 95.9 | Very high | 51 Ų | 51 | 79.2 Ų | 79.2 | 22% | 0.224 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 176.8 | -63.8 | -45.6 | 0 | 0 | 0 | 112.1 | L6 K9 A10 A13 D21 M22 G28 A29 | L6-F25 HydrophobicContact CD2-CD1 4.07Å; K9-F25 HydrophobicContact CB-CB 4.46Å; K9-F25 HydrophobicContact CB-CD1 3.98Å; K9-F25 HydrophobicContact CB-CD2 3.62Å; K9-F25 HydrophobicContact CB-CE1 4.11Å; K9-F25 HydrophobicContact CB-CE2 3.75Å; K9-F25 HydrophobicContact CB-CG 3.76Å; K9-F25 HydrophobicContact CB-CZ 4.01Å; K9-F25 HydrophobicContact CD-CD1 4.12Å; K9-F25 HydrophobicContact CD-CE1 3.69Å; K9-F25 HydrophobicContact CD-CE2 4.5Å; K9-F25 HydrophobicContact CD-CZ 3.91Å; A10-F25 HydrophobicContact CB-CB 4.04Å; A13-F25 HydrophobicContact CB-CD2 4.15Å; A13-F25 HydrophobicContact CB-CE2 4.21Å; D21-F25 HydrophobicContact CB-CD2 4.34Å; D21-F25 HydrophobicContact CB-CE2 3.84Å; D21-F25 HydrophobicContact CB-CZ 4.49Å; D21-F25 WeakPolarHBondContact O-CD2 3.38Å; D21-F25 VanDerWaalsContact O-CG 3.31Å; D21-F25 WeakPolarHBondContact O-CG 3.46Å; D21-F25 PolarHBondContact O-N 3.33Å; M22-F25 PolarHBondContact O-N 2.96Å; F25-G28 PolarHBondContact O-N 3.19Å; F25-A29 PolarHBondContact O-N 3.4Å |
| 26 | M | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66.2 | -39.6 | 177.5 | -73 | -54 | -54.7 | 0 | 0 | 112.2 | I7 A10 M22 A23 A29 V30 E40 L43 L44 | I7-M26 HydrophobicContact CD1-CE 3.75Å; I7-M26 HydrophobicContact CD1-SD 3.64Å; A10-M26 HydrophobicContact CB-CG 3.72Å; A10-M26 HydrophobicContact CB-SD 3.5Å; A10-M26 WeakPolarHBondContact CB-SD 3.48Å; M22-M26 WeakPolarHBondContact O-CB 3.15Å; M22-M26 WeakPolarHBondContact O-CG 3.46Å; M22-M26 PolarHBondContact O-N 3.4Å; A23-M26 PolarHBondContact O-N 3.14Å; M26-A29 PolarHBondContact O-N 3.1Å; M26-A29 VanDerWaalsContact O-N 3.16Å; M26-V30 WeakPolarHBondContact O-CG2 3.45Å; M26-V30 PolarHBondContact O-N 3.04Å; M26-E40 HydrophobicContact CE-CB 4.24Å; M26-E40 WeakPolarHBondContact CE-O 3.44Å; M26-L43 HydrophobicContact CE-CB 4.02Å; M26-L43 HydrophobicContact CG-CB 4.26Å; M26-L43 HydrophobicContact SD-CB 3.73Å; M26-L43 HydrophobicContact SD-CD1 4.26Å; M26-L44 HydrophobicContact CB-CD1 3.73Å; M26-L44 HydrophobicContact CE-CB 4.03Å |
| 27 | K | 96.5 | Very high | 95.6 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 47% | 0.47 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.7 | -50.5 | 171.6 | 179.1 | 179 | 173.9 | -179.8 | 0 | 110.7 | A23 A29 V30 E31 | A23-K27 VanDerWaalsContact O-CB 3.25Å; A23-K27 WeakPolarHBondContact O-CB 3.34Å; A23-K27 PolarHBondContact O-N 2.75Å; K27-A29 PolarHBondContact O-N 3.43Å; K27-V30 PolarHBondContact O-N 3.47Å; K27-V30 VanDerWaalsContact O-N 3.16Å; K27-E31 WeakPolarHBondContact CE-OE1 3.4Å; K27-E31 IonicContact NZ-OE1 2.83Å; K27-E31 WeakPolarHBondContact O-CG 3.26Å; K27-E31 PolarHBondContact O-N 2.88Å |
| 28 | G | 96.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 70.3 Ų | 70.3 | 16% | 0.155 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.1 | -29.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L6 A24 F25 | L6-G28 WeakPolarHBondContact CD1-O 3.39Å; A24-G28 PolarHBondContact O-N 3.07Å; F25-G28 PolarHBondContact O-N 3.19Å |
| 29 | A | 95.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 68.9 Ų | 68.9 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -74.6 | -39.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | R3 L6 I7 F25 M26 K27 K32 | R3-A29 HydrophobicContact CG-CB 4.34Å; L6-A29 HydrophobicContact CB-CB 4.03Å; I7-A29 HydrophobicContact CD1-CB 3.55Å; I7-A29 HydrophobicContact CG1-CB 4.26Å; F25-A29 PolarHBondContact O-N 3.4Å; M26-A29 PolarHBondContact O-N 3.1Å; M26-A29 VanDerWaalsContact O-N 3.16Å; K27-A29 PolarHBondContact O-N 3.43Å; A29-K32 WeakPolarHBondContact O-CB 3.45Å; A29-K32 PolarHBondContact O-N 3.22Å |
| 30 | V | 95.5 | Very high | 95.4 | Very high | 63 Ų | 63 | 67 Ų | 67 | 38% | 0.382 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.3 | -41.5 | 174.6 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | M26 K27 K32 G33 L36 L44 | M26-V30 WeakPolarHBondContact O-CG2 3.45Å; M26-V30 PolarHBondContact O-N 3.04Å; K27-V30 PolarHBondContact O-N 3.47Å; K27-V30 VanDerWaalsContact O-N 3.16Å; V30-K32 PolarHBondContact O-N 2.94Å; V30-G33 PolarHBondContact O-N 3Å; V30-L36 HydrophobicContact CG2-CD1 3.77Å; V30-L36 HydrophobicContact CG2-CD2 4.07Å; V30-L36 HydrophobicContact CG2-CG 4.22Å; V30-L44 HydrophobicContact CG2-CD1 4.39Å; V30-L44 HydrophobicContact CG2-CD2 4.19Å |
| 31 | E | 95.4 | Very high | 95.5 | Very high | 133 Ų | 133 | 67.1 Ų | 67.1 | 62% | 0.621 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9.8 | 178 | -72 | 171.9 | 169.6 | 0 | 0 | 113.7 | K27 G33 | K27-E31 WeakPolarHBondContact CE-OE1 3.4Å; K27-E31 IonicContact NZ-OE1 2.83Å; K27-E31 WeakPolarHBondContact O-CG 3.26Å; K27-E31 PolarHBondContact O-N 2.88Å; E31-G33 PolarHBondContact O-N 3.17Å |
| 32 | K | 92.9 | Very high | 95.4 | Very high | 109 Ų | 109 | 69.3 Ų | 69.3 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -9.6 | 170.1 | -59.7 | -57.5 | 180 | -174.1 | 0 | 113.8 | M1 R3 A29 V30 E34 | M1-K32 WeakPolarHBondContact O-CE 3.43Å; R3-K32 HydrophobicContact CB-CB 4.38Å; R3-K32 HydrophobicContact CB-CG 4.09Å; R3-K32 HydrophobicContact CG-CB 4.4Å; R3-K32 HydrophobicContact CG-CG 4.4Å; A29-K32 WeakPolarHBondContact O-CB 3.45Å; A29-K32 PolarHBondContact O-N 3.22Å; V30-K32 PolarHBondContact O-N 2.94Å; K32-E34 VanDerWaalsContact C-N 3.26Å; K32-E34 PolarHBondContact O-N 2.95Å |
| 33 | G | 88.9 | Confident | 95.4 | Very high | 72 Ų | 72 | 69.5 Ų | 69.5 | 74% | 0.742 | 37% | 0.373 | S | S | * | . | trans | 77.2 | 4.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V30 E31 | V30-G33 PolarHBondContact O-N 3Å; E31-G33 PolarHBondContact O-N 3.17Å | ||
| 34 | E | 90.5 | Very high | 95.4 | Very high | 115 Ų | 115 | 71.3 Ų | 71.3 | 54% | 0.537 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -85 | 141.6 | 173.1 | -69.4 | 174.1 | -136 | 0 | 0 | 110.9 | R3 K32 L36 | R3-E34 WeakPolarHBondContact CD-OE1 3.24Å; R3-E34 WeakPolarHBondContact CD-OE2 3.36Å; R3-E34 IonicContact CZ-OE2 3.66Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.06Å; R3-E34 IonicContact NH1-OE2 3.33Å; K32-E34 VanDerWaalsContact C-N 3.26Å; K32-E34 PolarHBondContact O-N 2.95Å; E34-L36 PolarHBondContact O-N 2.81Å |
| 35 | E | 93.3 | Very high | 95.3 | Very high | 182 Ų | 182 | 71.8 Ų | 71.8 | 85% | 0.85 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -58.3 | 135.2 | 176.8 | -170.2 | 175 | -175.7 | 0 | 0 | 111.1 | R3 | R3-E35 PolarHBondContact NH2-O 3.42Š|
| 36 | L | 94 | Very high | 95.3 | Very high | 26 Ų | 26 | 70.9 Ų | 70.9 | 14% | 0.136 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 129 | 177.9 | -64.5 | -170.2 | 0 | 0 | 0 | 111 | V30 E34 E40 R41 L44 | V30-L36 HydrophobicContact CG2-CD1 3.77Å; V30-L36 HydrophobicContact CG2-CD2 4.07Å; V30-L36 HydrophobicContact CG2-CG 4.22Å; E34-L36 PolarHBondContact O-N 2.81Å; L36-E40 HydrophobicContact CB-CB 4.14Å; L36-E40 HydrophobicContact CD2-CB 4.07Å; L36-R41 HydrophobicContact CB-CG 3.57Å; L36-R41 HydrophobicContact CD1-CG 4.06Å; L36-L44 HydrophobicContact CD1-CB 4.5Å; L36-L44 HydrophobicContact CD1-CD2 3.94Å |
| 37 | S | 95.8 | Very high | 95.3 | Very high | 52 Ų | 52 | 70.9 Ų | 70.9 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 167.6 | 167.3 | 68.2 | 0 | 0 | 0 | 0 | 111.9 | E39 E40 R41 | S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 3.14Å; S37-E40 WeakPolarHBondContact CB-OE2 3.39Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 3.14Å; S37-E40 VanDerWaalsContact OG-CG 3.23Å; S37-E40 WeakPolarHBondContact OG-CG 3.32Å; S37-E40 PolarHBondContact OG-N 3.04Å; S37-E40 PolarHBondContact OG-OE2 2.87Å; S37-R41 WeakPolarHBondContact O-CG 3.44Å; S37-R41 PolarHBondContact O-N 3.25Å |
| 38 | C | 95.7 | Very high | 95.2 | Very high | 92 Ų | 92 | 70.6 Ų | 70.6 | 62% | 0.622 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57 | -39.6 | 174.9 | -64 | 0 | 0 | 0 | 0 | 112.7 | R41 N42 | C38-R41 PolarHBondContact SG-NH2 3.38Å; C38-N42 PolarHBondContact O-N 3.37Å; C38-N42 VanDerWaalsContact O-N 3.11Å |
| 39 | E | 95.6 | Very high | 95.2 | Very high | 110 Ų | 110 | 77.1 Ų | 77.1 | 51% | 0.514 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -66.2 | -45.1 | 178.5 | -170.6 | -174.9 | -161.8 | 0 | 0 | 111 | K11 S37 N42 L43 | K11-E39 VanDerWaalsContact CE-OE1 3.27Å; K11-E39 WeakPolarHBondContact CE-OE1 3.43Å; K11-E39 IonicContact NZ-OE1 2.77Å; K11-E39 PolarHBondContact NZ-OE1 3.42Å; K11-E39 IonicContact NZ-OE2 3.44Å; K11-E39 PolarHBondContact NZ-OE2 3.14Å; S37-E39 VanDerWaalsContact C-N 3.26Å; S37-E39 PolarHBondContact O-N 3.14Å; E39-N42 WeakPolarHBondContact O-CB 3.32Å; E39-N42 PolarHBondContact O-N 3.28Å; E39-N42 VanDerWaalsContact O-N 3.17Å; E39-L43 WeakPolarHBondContact O-CG 3.46Å; E39-L43 PolarHBondContact O-N 3Å |
| 40 | E | 96.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 79.8 Ų | 79.8 | 10% | 0.103 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -68.7 | -36.2 | -179.2 | -65.3 | 161.3 | 154 | 0 | 0 | 112 | R3 I7 M26 L36 S37 N42 L43 L44 | R3-E40 IonicContact CZ-OE1 3.52Å; R3-E40 IonicContact CZ-OE2 2.87Å; R3-E40 IonicContact NH1-OE1 2.68Å; R3-E40 PolarHBondContact NH1-OE1 3.36Å; R3-E40 IonicContact NH1-OE2 2.67Å; R3-E40 IonicContact NH2-OE1 3.96Å; R3-E40 PolarHBondContact NH2-OE1 2.87Å; R3-E40 IonicContact NH2-OE2 3.01Å; R3-E40 PolarHBondContact NH2-OE2 3.01Å; I7-E40 HydrophobicContact CD1-CB 4.4Å; I7-E40 HydrophobicContact CD1-CG 3.86Å; I7-E40 HydrophobicContact CG1-CG 4.22Å; I7-E40 HydrophobicContact CG2-CG 4.23Å; M26-E40 HydrophobicContact CE-CB 4.24Å; M26-E40 WeakPolarHBondContact CE-O 3.44Å; L36-E40 HydrophobicContact CB-CB 4.14Å; L36-E40 HydrophobicContact CD2-CB 4.07Å; S37-E40 WeakPolarHBondContact CB-OE2 3.39Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 3.14Å; S37-E40 VanDerWaalsContact OG-CG 3.23Å; S37-E40 WeakPolarHBondContact OG-CG 3.32Å; S37-E40 PolarHBondContact OG-N 3.04Å; S37-E40 PolarHBondContact OG-OE2 2.87Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.28Å; E40-L43 PolarHBondContact O-N 2.66Å; E40-L44 PolarHBondContact O-N 3.01Å |
| 41 | R | 96.8 | Very high | 95.1 | Very high | 141 Ų | 141 | 78.3 Ų | 78.3 | 53% | 0.532 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 170.8 | -74.2 | -173.4 | -73.6 | 167.9 | -2.3 | 111.8 | L36 S37 C38 L44 S45 | L36-R41 HydrophobicContact CB-CG 3.57Å; L36-R41 HydrophobicContact CD1-CG 4.06Å; S37-R41 WeakPolarHBondContact O-CG 3.44Å; S37-R41 PolarHBondContact O-N 3.25Å; C38-R41 PolarHBondContact SG-NH2 3.38Å; R41-L44 PolarHBondContact O-N 3.03Å; R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 2.76Å |
| 42 | N | 96.8 | Very high | 94.9 | Very high | 95 Ų | 95 | 74.2 Ų | 74.2 | 51% | 0.508 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | 175.9 | -173.3 | 67 | 0 | 0 | 0 | 111.5 | C38 E39 E40 L44 S45 V46 | C38-N42 PolarHBondContact O-N 3.37Å; C38-N42 VanDerWaalsContact O-N 3.11Å; E39-N42 WeakPolarHBondContact O-CB 3.32Å; E39-N42 PolarHBondContact O-N 3.28Å; E39-N42 VanDerWaalsContact O-N 3.17Å; E40-N42 VanDerWaalsContact C-N 3.31Å; E40-N42 PolarHBondContact O-N 3.28Å; N42-L44 VanDerWaalsContact C-N 3.35Å; N42-L44 PolarHBondContact O-N 2.9Å; N42-S45 WeakPolarHBondContact O-CB 3.36Å; N42-S45 PolarHBondContact O-N 3.45Å; N42-V46 WeakPolarHBondContact O-CG2 3.36Å; N42-V46 PolarHBondContact O-N 3.26Å |
| 43 | L | 97.1 | Very high | 94.8 | Very high | 4 Ų | 4 | 70.3 Ų | 70.3 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -57.3 | -47.5 | 174.9 | -72.1 | 170.1 | 0 | 0 | 0 | 111.4 | I7 K11 E14 M22 M26 E39 E40 S45 V46 A47 | I7-L43 HydrophobicContact CG2-CD1 4.19Å; K11-L43 HydrophobicContact CD-CD1 4.49Å; K11-L43 HydrophobicContact CG-CD1 3.83Å; K11-L43 HydrophobicContact CG-CD2 4.12Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.34Å; M22-L43 HydrophobicContact CE-CB 3.99Å; M22-L43 HydrophobicContact CE-CD2 3.53Å; M22-L43 HydrophobicContact CE-CG 4.39Å; M22-L43 WeakPolarHBondContact CE-O 3.48Å; M26-L43 HydrophobicContact CE-CB 4.02Å; M26-L43 HydrophobicContact CG-CB 4.26Å; M26-L43 HydrophobicContact SD-CB 3.73Å; M26-L43 HydrophobicContact SD-CD1 4.26Å; E39-L43 WeakPolarHBondContact O-CG 3.46Å; E39-L43 PolarHBondContact O-N 3Å; E40-L43 PolarHBondContact O-N 2.66Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 2.94Å; L43-V46 PolarHBondContact O-N 3.47Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.48Å |
| 44 | L | 96.7 | Very high | 94.9 | Very high | 46 Ų | 46 | 68.9 Ų | 68.9 | 24% | 0.241 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 176.7 | -175.8 | 69.1 | 0 | 0 | 0 | 111.4 | M26 V30 L36 E40 R41 N42 A47 Y48 | M26-L44 HydrophobicContact CB-CD1 3.73Å; M26-L44 HydrophobicContact CE-CB 4.03Å; V30-L44 HydrophobicContact CG2-CD1 4.39Å; V30-L44 HydrophobicContact CG2-CD2 4.19Å; L36-L44 HydrophobicContact CD1-CB 4.5Å; L36-L44 HydrophobicContact CD1-CD2 3.94Å; E40-L44 PolarHBondContact O-N 3.01Å; R41-L44 PolarHBondContact O-N 3.03Å; N42-L44 VanDerWaalsContact C-N 3.35Å; N42-L44 PolarHBondContact O-N 2.9Å; L44-A47 PolarHBondContact O-N 3.47Å; L44-Y48 HydrophobicContact CD1-CD2 3.74Å; L44-Y48 HydrophobicContact CD1-CE2 3.56Å; L44-Y48 HydrophobicContact CG-CD2 4.27Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.3Å; L44-Y48 PolarHBondContact O-N 3.48Å; L44-Y48 VanDerWaalsContact O-N 3.16Å |
| 45 | S | 96.2 | Very high | 94.9 | Very high | 72 Ų | 72 | 65.9 Ų | 65.9 | 50% | 0.503 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -61.7 | -48.6 | 178.9 | -178.3 | 0 | 0 | 0 | 0 | 112.4 | R41 N42 L43 A47 K49 | R41-S45 WeakPolarHBondContact O-CB 3.47Å; R41-S45 PolarHBondContact O-N 2.76Å; N42-S45 WeakPolarHBondContact O-CB 3.36Å; N42-S45 PolarHBondContact O-N 3.45Å; L43-S45 VanDerWaalsContact C-N 3.31Å; L43-S45 PolarHBondContact O-N 2.94Å; S45-A47 VanDerWaalsContact C-N 3.33Å; S45-A47 PolarHBondContact O-N 3.5Å; S45-K49 WeakPolarHBondContact O-CB 3.5Å; S45-K49 PolarHBondContact O-N 2.91Å |
| 46 | V | 97 | Very high | 94.7 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 19% | 0.188 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.9 | -42.8 | 178.8 | 171.1 | 0 | 0 | 0 | 0 | 111 | M22 N42 L43 N50 | M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.15Å; M22-V46 HydrophobicContact SD-CG1 4.39Å; N42-V46 WeakPolarHBondContact O-CG2 3.36Å; N42-V46 PolarHBondContact O-N 3.26Å; L43-V46 PolarHBondContact O-N 3.47Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.1Å; V46-N50 PolarHBondContact O-ND2 2.98Å |
| 47 | A | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.7 | -59.3 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | M22 A23 L43 L44 S45 K49 N50 V51 | M22-A47 HydrophobicContact CB-CB 4.07Å; M22-A47 HydrophobicContact CE-CB 4.19Å; M22-A47 HydrophobicContact CG-CB 3.69Å; M22-A47 HydrophobicContact SD-CB 3.67Å; A23-A47 HydrophobicContact CB-CB 4.05Å; L43-A47 WeakPolarHBondContact O-CB 3.42Å; L43-A47 PolarHBondContact O-N 3.48Å; L44-A47 PolarHBondContact O-N 3.47Å; S45-A47 VanDerWaalsContact C-N 3.33Å; S45-A47 PolarHBondContact O-N 3.5Å; A47-K49 PolarHBondContact O-N 3.26Å; A47-N50 PolarHBondContact O-N 2.96Å; A47-V51 WeakPolarHBondContact O-CG2 3.3Å; A47-V51 PolarHBondContact O-N 3.49Å |
| 48 | Y | 95.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 63.8 Ų | 63.8 | 40% | 0.4 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.1 | -33.6 | -177.1 | -82.3 | -83.4 | 0 | 0 | 0 | 112.8 | A23 L44 N50 V51 V52 | A23-Y48 HydrophobicContact CB-CD2 4.42Å; A23-Y48 HydrophobicContact CB-CE2 4.19Å; L44-Y48 HydrophobicContact CD1-CD2 3.74Å; L44-Y48 HydrophobicContact CD1-CE2 3.56Å; L44-Y48 HydrophobicContact CG-CD2 4.27Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.3Å; L44-Y48 PolarHBondContact O-N 3.48Å; L44-Y48 VanDerWaalsContact O-N 3.16Å; Y48-N50 VanDerWaalsContact C-N 3.34Å; Y48-N50 PolarHBondContact O-N 2.77Å; Y48-V51 PolarHBondContact O-N 2.95Å; Y48-V52 WeakPolarHBondContact O-CB 3.32Å; Y48-V52 WeakPolarHBondContact O-CG2 3.5Å; Y48-V52 PolarHBondContact O-N 3.26Å |
| 49 | K | 95.5 | Very high | 94 | Very high | 153 Ų | 153 | 62.4 Ų | 62.4 | 67% | 0.665 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.7 | -45.1 | 173.7 | 176.5 | -173.9 | 171 | -173.6 | 0 | 111.5 | S45 A47 G53 | S45-K49 WeakPolarHBondContact O-CB 3.5Å; S45-K49 PolarHBondContact O-N 2.91Å; A47-K49 PolarHBondContact O-N 3.26Å; K49-G53 WeakPolarHBondContact O-CA 3.21Å; K49-G53 PolarHBondContact O-N 3.34Å |
| 50 | N | 95.9 | Very high | 93.8 | Very high | 56 Ų | 56 | 63.9 Ų | 63.9 | 30% | 0.299 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -73.1 | -40.4 | -179.3 | -79.2 | -67.5 | 0 | 0 | 0 | 112 | Y19 V46 A47 Y48 G53 G54 | Y19-N50 HydrophobicContact CD1-CB 3.48Å; Y19-N50 VanDerWaalsContact CD1-CB 3.48Å; Y19-N50 HydrophobicContact CD2-CB 3.61Å; Y19-N50 HydrophobicContact CE1-CB 3.89Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.28Å; Y19-N50 HydrophobicContact CE2-CB 4.02Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; V46-N50 PolarHBondContact O-N 3.43Å; V46-N50 VanDerWaalsContact O-N 3.1Å; V46-N50 PolarHBondContact O-ND2 2.98Å; A47-N50 PolarHBondContact O-N 2.96Å; Y48-N50 VanDerWaalsContact C-N 3.34Å; Y48-N50 PolarHBondContact O-N 2.77Å; N50-G53 WeakPolarHBondContact O-CA 3.44Å; N50-G53 PolarHBondContact O-N 2.85Å; N50-G54 PolarHBondContact O-N 2.92Å |
| 51 | V | 93.7 | Very high | 93.5 | Very high | 31 Ų | 31 | 67 Ų | 67 | 19% | 0.188 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.3 | -53.2 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | Y19 E20 A23 A47 Y48 G53 G54 Q55 | Y19-V51 WeakPolarHBondContact O-CG2 3.43Å; E20-V51 HydrophobicContact CG-CG2 4.34Å; A23-V51 HydrophobicContact CB-CG2 4.12Å; A47-V51 WeakPolarHBondContact O-CG2 3.3Å; A47-V51 PolarHBondContact O-N 3.49Å; Y48-V51 PolarHBondContact O-N 2.95Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 3.46Å; V51-G54 PolarHBondContact O-N 3.28Å; V51-Q55 PolarHBondContact O-N 2.91Å |
| 52 | V | 90.8 | Very high | 93 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 29% | 0.291 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.7 | -33.7 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 111.3 | Y48 Q55 R56 Y95 | Y48-V52 WeakPolarHBondContact O-CB 3.32Å; Y48-V52 WeakPolarHBondContact O-CG2 3.5Å; Y48-V52 PolarHBondContact O-N 3.26Å; V52-Q55 PolarHBondContact O-N 3.08Å; V52-R56 HydrophobicContact CG1-CG 4.32Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 2.83Å; V52-Y95 HydrophobicContact CG2-CE1 4.1Å |
| 53 | G | 91.4 | Very high | 92.5 | Very high | 26 Ų | 26 | 58.6 Ų | 58.6 | 27% | 0.268 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113 | K49 N50 V51 R56 A57 | K49-G53 WeakPolarHBondContact O-CA 3.21Å; K49-G53 PolarHBondContact O-N 3.34Å; N50-G53 WeakPolarHBondContact O-CA 3.44Å; N50-G53 PolarHBondContact O-N 2.85Å; V51-G53 VanDerWaalsContact C-N 3.28Å; V51-G53 PolarHBondContact O-N 3.46Å; G53-R56 PolarHBondContact O-N 2.73Å; G53-A57 PolarHBondContact O-N 3.37Å |
| 54 | G | 92 | Very high | 92 | Very high | 43 Ų | 43 | 61.2 Ų | 61.2 | 44% | 0.443 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N50 V51 R56 A57 A58 | N50-G54 PolarHBondContact O-N 2.92Å; V51-G54 PolarHBondContact O-N 3.28Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 2.82Å; G54-A57 WeakPolarHBondContact O-CB 3.34Å; G54-A57 PolarHBondContact O-N 3.13Å; G54-A57 VanDerWaalsContact O-N 3.13Å; G54-A58 PolarHBondContact O-N 2.88Å |
| 55 | Q | 89.2 | Confident | 91.5 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 24% | 0.238 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.2 | -41.3 | 177.7 | -61.4 | -60.1 | -23.1 | 0 | 0 | 112.3 | V51 V52 A57 A58 W59 M91 | V51-Q55 PolarHBondContact O-N 2.91Å; V52-Q55 PolarHBondContact O-N 3.08Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.98Å; Q55-A58 PolarHBondContact O-N 3.48Å; Q55-W59 PolarHBondContact O-N 3.03Å; Q55-M91 HydrophobicContact CB-SD 4.09Å; Q55-M91 HydrophobicContact CG-SD 4.02Å |
| 56 | R | 90 | Very high | 90.8 | Very high | 138 Ų | 138 | 60.7 Ų | 60.7 | 52% | 0.521 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 174.9 | -74.3 | 172.9 | 63.9 | -137.8 | 6.7 | 112.6 | V52 G53 G54 R60 | V52-R56 HydrophobicContact CG1-CG 4.32Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 2.83Å; G53-R56 PolarHBondContact O-N 2.73Å; G54-R56 VanDerWaalsContact C-N 3.34Å; G54-R56 PolarHBondContact O-N 2.82Å; R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 2.93Å |
| 57 | A | 92.8 | Very high | 90.1 | Very high | 48 Ų | 48 | 64.9 Ų | 64.9 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.3 | -46.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G53 G54 Q55 W59 R60 V61 | G53-A57 PolarHBondContact O-N 3.37Å; G54-A57 WeakPolarHBondContact O-CB 3.34Å; G54-A57 PolarHBondContact O-N 3.13Å; G54-A57 VanDerWaalsContact O-N 3.13Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.98Å; A57-W59 PolarHBondContact O-N 3.34Å; A57-R60 PolarHBondContact O-N 2.95Å; A57-V61 WeakPolarHBondContact O-CG2 3.4Å; A57-V61 PolarHBondContact O-N 2.89Å; A57-V61 VanDerWaalsContact O-N 3.11Å |
| 58 | A | 89.9 | Confident | 89.4 | Confident | 30 Ų | 30 | 70.9 Ų | 70.9 | 25% | 0.248 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -59.4 | -45 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G54 Q55 R60 V61 L62 Y88 | G54-A58 PolarHBondContact O-N 2.88Å; Q55-A58 PolarHBondContact O-N 3.48Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.29Å; A58-V61 PolarHBondContact O-N 3.29Å; A58-L62 PolarHBondContact O-N 3.21Å; A58-Y88 HydrophobicContact CB-CE1 4.06Å; A58-Y88 WeakPolarHBondContact CB-OH 3.4Å |
| 59 | W | 87.2 | Confident | 88.6 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 24% | 0.242 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 174.8 | 173 | -106.3 | 0 | 0 | 0 | 113.5 | Q55 A57 L62 S63 R85 Y88 L89 | Q55-W59 PolarHBondContact O-N 3.03Å; A57-W59 PolarHBondContact O-N 3.34Å; W59-L62 PolarHBondContact O-N 3.46Å; W59-S63 WeakPolarHBondContact O-CB 3.49Å; W59-S63 PolarHBondContact O-N 3.21Å; W59-S63 PolarHBondContact O-OG 3.44Å; W59-R85 VanDerWaalsContact CZ2-NH1 3.26Å; W59-Y88 HydrophobicContact CB-CD1 4.36Å; W59-Y88 HydrophobicContact CE3-CD1 4.44Å; W59-Y88 HydrophobicContact CE3-CD2 4.35Å; W59-Y88 AromaticContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CZ3-CG 4.34Å; W59-L89 HydrophobicContact CH2-CD2 3.64Å; W59-L89 HydrophobicContact CH2-CG 3.81Å; W59-L89 HydrophobicContact CZ2-CD2 4.39Å; W59-L89 HydrophobicContact CZ3-CG 4.27Å |
| 60 | R | 90.9 | Very high | 87.6 | Confident | 140 Ų | 140 | 65.1 Ų | 65.1 | 53% | 0.528 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 178.6 | -72.3 | 176.9 | -174.2 | 133.9 | -4.5 | 111.8 | R56 A57 A58 S64 | R56-R60 WeakPolarHBondContact O-CG 3.33Å; R56-R60 PolarHBondContact O-N 2.93Å; A57-R60 PolarHBondContact O-N 2.95Å; A58-R60 VanDerWaalsContact C-N 3.34Å; A58-R60 PolarHBondContact O-N 3.29Å; R60-S64 WeakPolarHBondContact O-CB 3.37Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-S64 PolarHBondContact O-OG 3.35Å |
| 61 | V | 90.5 | Very high | 86.8 | Confident | 87 Ų | 87 | 69.1 Ų | 69.1 | 53% | 0.527 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 177.7 | 170.9 | 0 | 0 | 0 | 0 | 110.1 | A57 A58 S64 I65 | A57-V61 WeakPolarHBondContact O-CG2 3.4Å; A57-V61 PolarHBondContact O-N 2.89Å; A57-V61 VanDerWaalsContact O-N 3.11Å; A58-V61 PolarHBondContact O-N 3.29Å; V61-S64 WeakPolarHBondContact O-CB 3.44Å; V61-S64 PolarHBondContact O-N 3.14Å; V61-I65 HydrophobicContact CG1-CD1 3.82Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.99Å |
| 62 | L | 87.5 | Confident | 85.8 | Confident | 30 Ų | 30 | 74.6 Ų | 74.6 | 16% | 0.157 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 179.3 | -75.9 | 163.2 | 0 | 0 | 0 | 113.1 | A58 W59 S64 I65 E66 Y84 Y88 | A58-L62 PolarHBondContact O-N 3.21Å; W59-L62 PolarHBondContact O-N 3.46Å; L62-S64 PolarHBondContact O-N 3.38Å; L62-I65 PolarHBondContact O-N 3.45Å; L62-I65 VanDerWaalsContact O-N 3.12Å; L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 PolarHBondContact O-N 3.23Å; L62-Y84 HydrophobicContact CD1-CG 4.42Å; L62-Y84 HydrophobicContact CD2-CD2 4.44Å; L62-Y84 HydrophobicContact CD2-CG 4.35Å; L62-Y88 HydrophobicContact CD1-CD2 3.43Å; L62-Y88 VanDerWaalsContact CD1-CD2 3.43Å; L62-Y88 HydrophobicContact CD1-CE2 2.95Å; L62-Y88 HydrophobicContact CG-CE2 4.45Å |
| 63 | S | 85.4 | Confident | 84.7 | Confident | 30 Ų | 30 | 75.2 Ų | 75.2 | 21% | 0.21 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -59.4 | -36.1 | 174.8 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | W59 Q67 | W59-S63 WeakPolarHBondContact O-CB 3.49Å; W59-S63 PolarHBondContact O-N 3.21Å; W59-S63 PolarHBondContact O-OG 3.44Å; S63-Q67 WeakPolarHBondContact O-CB 3.28Å; S63-Q67 PolarHBondContact O-N 3.32Å; S63-Q67 VanDerWaalsContact O-N 3.07Å |
| 64 | S | 87.5 | Confident | 83.3 | Confident | 60 Ų | 60 | 76 Ų | 76 | 42% | 0.42 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -72.2 | -35.2 | 177.2 | -56.8 | 0 | 0 | 0 | 0 | 112.5 | R60 V61 L62 K68 | R60-S64 WeakPolarHBondContact O-CB 3.37Å; R60-S64 PolarHBondContact O-N 3.35Å; R60-S64 PolarHBondContact O-OG 3.35Å; V61-S64 WeakPolarHBondContact O-CB 3.44Å; V61-S64 PolarHBondContact O-N 3.14Å; L62-S64 PolarHBondContact O-N 3.38Å; S64-K68 WeakPolarHBondContact O-CG 3.42Å; S64-K68 PolarHBondContact O-N 3.21Å |
| 65 | I | 86.2 | Confident | 81.8 | Confident | 68 Ų | 68 | 82 Ų | 82 | 35% | 0.349 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.9 | -48.1 | 173.9 | -70.5 | 160.7 | 0 | 0 | 0 | 110 | V61 L62 Q67 K68 S69 V81 | V61-I65 HydrophobicContact CG1-CD1 3.82Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.99Å; L62-I65 PolarHBondContact O-N 3.45Å; L62-I65 VanDerWaalsContact O-N 3.12Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.07Å; I65-K68 PolarHBondContact O-N 3.48Å; I65-S69 PolarHBondContact O-N 2.92Å; I65-S69 PolarHBondContact O-OG 3.26Å; I65-V81 HydrophobicContact CG2-CG2 3.98Å |
| 66 | E | 80.8 | Confident | 80.4 | Confident | 38 Ų | 38 | 88.1 Ų | 88.1 | 18% | 0.178 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.4 | -45.9 | 178.7 | -177.8 | 178.9 | -151 | 0 | 0 | 111.6 | L62 K68 S69 N70 V81 R85 | L62-E66 WeakPolarHBondContact O-CB 3.45Å; L62-E66 PolarHBondContact O-N 3.23Å; E66-K68 PolarHBondContact O-N 3.32Å; E66-S69 PolarHBondContact O-N 2.98Å; E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.9Å; E66-N70 PolarHBondContact O-ND2 3.48Å; E66-V81 HydrophobicContact CB-CG1 3.87Å; E66-V81 HydrophobicContact CG-CG1 4.33Å; E66-R85 WeakPolarHBondContact OE2-CD 3.28Å; E66-R85 IonicContact OE2-CZ 2.73Å; E66-R85 IonicContact OE2-NE 3.56Å; E66-R85 IonicContact OE2-NH1 3.82Å; E66-R85 PolarHBondContact OE2-NH1 2.97Å |
| 67 | Q | 82 | Confident | 79.1 | Confident | 120 Ų | 120 | 88 Ų | 88 | 56% | 0.561 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -58.6 | -46.3 | 176.6 | -174.1 | -178.6 | -14.7 | 0 | 0 | 111.8 | S63 I65 N70 E71 | S63-Q67 WeakPolarHBondContact O-CB 3.28Å; S63-Q67 PolarHBondContact O-N 3.32Å; S63-Q67 VanDerWaalsContact O-N 3.07Å; I65-Q67 VanDerWaalsContact C-N 3.34Å; I65-Q67 PolarHBondContact O-N 3.07Å; Q67-N70 PolarHBondContact O-N 3.01Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.33Å; Q67-E71 PolarHBondContact NE2-OE1 2.83Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.08Å; Q67-E71 WeakPolarHBondContact O-CG 3.5Å; Q67-E71 PolarHBondContact O-N 3.23Å; Q67-E71 VanDerWaalsContact O-N 3.09Å |
| 68 | K | 83.9 | Confident | 78.1 | Confident | 125 Ų | 125 | 86 Ų | 86 | 54% | 0.543 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -66.3 | -41.3 | 178.4 | -71.4 | 176.2 | -179.4 | -175.5 | 0 | 112.6 | S64 I65 E66 N70 E71 E72 | S64-K68 WeakPolarHBondContact O-CG 3.42Å; S64-K68 PolarHBondContact O-N 3.21Å; I65-K68 PolarHBondContact O-N 3.48Å; E66-K68 PolarHBondContact O-N 3.32Å; K68-N70 VanDerWaalsContact C-N 3.31Å; K68-N70 PolarHBondContact O-N 3.2Å; K68-E71 PolarHBondContact O-N 2.84Å; K68-E72 WeakPolarHBondContact O-CB 3.29Å; K68-E72 WeakPolarHBondContact O-CG 3.27Å; K68-E72 PolarHBondContact O-N 3.47Å |
| 69 | S | 77.9 | Confident | 77.5 | Confident | 13 Ų | 13 | 87.9 Ų | 87.9 | 9% | 0.091 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.2 | -39 | 177.2 | -75.9 | 0 | 0 | 0 | 0 | 112.2 | I65 E66 E72 G73 S74 | I65-S69 PolarHBondContact O-N 2.92Å; I65-S69 PolarHBondContact O-OG 3.26Å; E66-S69 PolarHBondContact O-N 2.98Å; S69-E72 PolarHBondContact O-N 3.02Å; S69-G73 PolarHBondContact O-N 2.7Å; S69-G73 VanDerWaalsContact O-N 3.1Å; S69-S74 PolarHBondContact O-N 3.33Å |
| 70 | N | 75 | Confident | 77.2 | Confident | 121 Ų | 121 | 90 Ų | 90 | 65% | 0.647 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -67.9 | -35.4 | 174.9 | -70.3 | -14.7 | 0 | 0 | 0 | 112.5 | E66 Q67 K68 | E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.9Å; E66-N70 PolarHBondContact O-ND2 3.48Å; Q67-N70 PolarHBondContact O-N 3.01Å; K68-N70 VanDerWaalsContact C-N 3.31Å; K68-N70 PolarHBondContact O-N 3.2Å |
| 71 | E | 78.5 | Confident | 76.8 | Confident | 140 Ų | 140 | 84.3 Ų | 84.3 | 65% | 0.654 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -71 | -37.1 | 175.4 | -72.8 | 171 | -167.5 | 0 | 0 | 112.4 | Q67 K68 | Q67-E71 WeakPolarHBondContact CG-OE1 3.33Å; Q67-E71 PolarHBondContact NE2-OE1 2.83Å; Q67-E71 VanDerWaalsContact NE2-OE1 3.08Å; Q67-E71 WeakPolarHBondContact O-CG 3.5Å; Q67-E71 PolarHBondContact O-N 3.23Å; Q67-E71 VanDerWaalsContact O-N 3.09Å; K68-E71 PolarHBondContact O-N 2.84Å |
| 72 | E | 73.6 | Confident | 76.6 | Confident | 146 Ų | 146 | 83.4 Ų | 83.4 | 68% | 0.682 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -85 | -7.4 | -178 | -69.1 | 174.1 | -177.5 | 0 | 0 | 113.6 | K68 S69 S74 | K68-E72 WeakPolarHBondContact O-CB 3.29Å; K68-E72 WeakPolarHBondContact O-CG 3.27Å; K68-E72 PolarHBondContact O-N 3.47Å; S69-E72 PolarHBondContact O-N 3.02Å; E72-S74 PolarHBondContact O-N 3.43Å |
| 73 | G | 67.5 | Low | 76.7 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 64% | 0.639 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.5 | 22.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S69 E75 | S69-G73 PolarHBondContact O-N 2.7Å; S69-G73 VanDerWaalsContact O-N 3.1Å; G73-E75 PolarHBondContact O-N 2.86Å |
| 74 | S | 61.3 | Low | 76.9 | Confident | 42 Ų | 42 | 89.8 Ų | 89.8 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | trans | -84.4 | 93.3 | -177.8 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | S69 E72 E76 | S69-S74 PolarHBondContact O-N 3.33Å; E72-S74 PolarHBondContact O-N 3.43Å; S74-E76 PolarHBondContact O-N 3.12Å | ||
| 75 | E | 61.4 | Low | 77 | Confident | 168 Ų | 168 | 88.6 Ų | 88.6 | 79% | 0.785 | 44% | 0.438 | S | S | * | . | G | 310 helix | trans | -67.4 | -22 | 177.5 | -69.4 | -174.6 | 163.8 | 0 | 0 | 113.4 | G73 K77 G78 | G73-E75 PolarHBondContact O-N 2.86Å; E75-K77 PolarHBondContact O-N 3.27Å; E75-G78 WeakPolarHBondContact O-CA 3.45Å; E75-G78 PolarHBondContact O-N 3.02Å |
| 76 | E | 59.6 | Low | 77.4 | Confident | 181 Ų | 181 | 85.4 Ų | 85.4 | 85% | 0.846 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -64.8 | -34.5 | -170.1 | -168.1 | 177.7 | -166.9 | 0 | 0 | 113.9 | S74 G78 | S74-E76 PolarHBondContact O-N 3.12Å; E76-G78 VanDerWaalsContact C-N 3.28Å |
| 77 | K | 61.3 | Low | 78 | Confident | 135 Ų | 135 | 87.4 Ų | 87.4 | 59% | 0.587 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -89.4 | 0.7 | 174.5 | -65 | -178 | -179 | 172.9 | 0 | 112.9 | E75 V81 | E75-K77 PolarHBondContact O-N 3.27Å; K77-V81 HydrophobicContact CB-CG2 4.35Å; K77-V81 VanDerWaalsContact O-CB 3.28Å; K77-V81 WeakPolarHBondContact O-CB 3.38Å; K77-V81 WeakPolarHBondContact O-CG2 3.47Å; K77-V81 PolarHBondContact O-N 3.45Å |
| 78 | G | 73.1 | Confident | 78.5 | Confident | 7 Ų | 7 | 83.2 Ų | 83.2 | 7% | 0.072 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.1 | -51.8 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | E75 E76 R82 | E75-G78 WeakPolarHBondContact O-CA 3.45Å; E75-G78 PolarHBondContact O-N 3.02Å; E76-G78 VanDerWaalsContact C-N 3.28Å; G78-R82 VanDerWaalsContact O-CB 3.28Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 WeakPolarHBondContact O-CG 3.37Å; G78-R82 PolarHBondContact O-N 3.29Å; G78-R82 PolarHBondContact O-NE 3.5Å |
| 79 | P | 76.3 | Confident | 79 | Confident | 69 Ų | 69 | 77.2 Ų | 77.2 | 45% | 0.448 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61.7 | -51.4 | -172.7 | -25 | 35.2 | 0 | 0 | 0 | 113.5 | R82 E83 | P79-R82 PolarHBondContact O-N 3.4Å; P79-E83 PolarHBondContact O-N 3.13Å |
| 80 | E | 81.6 | Confident | 79.8 | Confident | 108 Ų | 108 | 78.3 Ų | 78.3 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | -178.1 | -62 | 82 | 177.8 | 0 | 0 | 111.2 | R82 E83 Y84 | E80-R82 VanDerWaalsContact C-N 3.29Å; E80-R82 PolarHBondContact O-N 2.86Å; E80-E83 PolarHBondContact O-N 3.23Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å; E80-Y84 PolarHBondContact O-N 3.46Å |
| 81 | V | 83.3 | Confident | 80.7 | Confident | 20 Ų | 20 | 74 Ų | 74 | 12% | 0.121 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62 | -40.1 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | I65 E66 K77 Y84 R85 | I65-V81 HydrophobicContact CG2-CG2 3.98Å; E66-V81 HydrophobicContact CB-CG1 3.87Å; E66-V81 HydrophobicContact CG-CG1 4.33Å; K77-V81 HydrophobicContact CB-CG2 4.35Å; K77-V81 VanDerWaalsContact O-CB 3.28Å; K77-V81 WeakPolarHBondContact O-CB 3.38Å; K77-V81 WeakPolarHBondContact O-CG2 3.47Å; K77-V81 PolarHBondContact O-N 3.45Å; V81-Y84 PolarHBondContact O-N 3.49Å; V81-R85 WeakPolarHBondContact O-CB 3.1Å; V81-R85 PolarHBondContact O-N 2.91Å |
| 82 | R | 86 | Confident | 81.5 | Confident | 68 Ų | 68 | 71 Ų | 71 | 26% | 0.257 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.7 | -34.3 | 176.3 | -72.1 | -175.9 | -59.4 | -107.3 | 13.6 | 112.1 | G78 P79 E80 R85 V86 I125 E129 | G78-R82 VanDerWaalsContact O-CB 3.28Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 WeakPolarHBondContact O-CG 3.37Å; G78-R82 PolarHBondContact O-N 3.29Å; G78-R82 PolarHBondContact O-NE 3.5Å; P79-R82 PolarHBondContact O-N 3.4Å; E80-R82 VanDerWaalsContact C-N 3.29Å; E80-R82 PolarHBondContact O-N 2.86Å; R82-R85 WeakPolarHBondContact O-CB 3.17Å; R82-R85 PolarHBondContact O-N 3.47Å; R82-V86 WeakPolarHBondContact O-CG2 3.48Å; R82-V86 PolarHBondContact O-N 2.79Å; R82-I125 HydrophobicContact CB-CG2 4.48Å; R82-E129 HydrophobicContact CB-CG 4.37Å; R82-E129 IonicContact CZ-OE2 3.7Å; R82-E129 IonicContact NE-OE1 2.71Å; R82-E129 IonicContact NE-OE2 3.16Å; R82-E129 PolarHBondContact NE-OE2 2.95Å; R82-E129 IonicContact NH2-OE2 3.46Å; R82-E129 PolarHBondContact NH2-OE2 3.42Å |
| 83 | E | 88.9 | Confident | 82.6 | Confident | 67 Ų | 67 | 64 Ų | 64 | 31% | 0.313 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -61.9 | -47.7 | 172.7 | -177.5 | 166.4 | -144.5 | 0 | 0 | 112.1 | P79 E80 R85 V86 F87 M130 N134 I136 | P79-E83 PolarHBondContact O-N 3.13Å; E80-E83 PolarHBondContact O-N 3.23Å; E83-R85 VanDerWaalsContact C-N 3.31Å; E83-R85 PolarHBondContact O-N 2.9Å; E83-V86 PolarHBondContact O-N 2.87Å; E83-F87 PolarHBondContact O-N 3.49Å; E83-M130 HydrophobicContact CB-CE 3.81Å; E83-M130 HydrophobicContact CG-CE 3.73Å; E83-N134 PolarHBondContact OE1-ND2 3.46Å; E83-I136 HydrophobicContact CG-CD1 3.49Å; E83-I136 VanDerWaalsContact CG-CD1 3.49Å; E83-I136 WeakPolarHBondContact OE1-CD1 3.2Å |
| 84 | Y | 89.5 | Confident | 83.9 | Confident | 128 Ų | 128 | 61.5 Ų | 61.5 | 50% | 0.502 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 171.9 | -73.3 | -65 | 0 | 0 | 0 | 111.9 | L62 E80 V81 V86 F87 Y88 | L62-Y84 HydrophobicContact CD1-CG 4.42Å; L62-Y84 HydrophobicContact CD2-CD2 4.44Å; L62-Y84 HydrophobicContact CD2-CG 4.35Å; E80-Y84 WeakPolarHBondContact O-CD2 3.43Å; E80-Y84 PolarHBondContact O-N 3.46Å; V81-Y84 PolarHBondContact O-N 3.49Å; Y84-V86 PolarHBondContact O-N 3.33Å; Y84-F87 WeakPolarHBondContact O-CB 3.19Å; Y84-F87 PolarHBondContact O-N 3.16Å; Y84-F87 VanDerWaalsContact O-N 3.16Å; Y84-Y88 HydrophobicContact CD1-CE2 4.35Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.28Å; Y84-Y88 PolarHBondContact O-N 3.42Å |
| 85 | R | 90.3 | Very high | 85.5 | Confident | 35 Ų | 35 | 64 Ų | 64 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.8 | -48.8 | 177.5 | 179.4 | 62.3 | -176.4 | -168.1 | 7.2 | 111.7 | W59 E66 V81 R82 E83 F87 Y88 L89 E121 I125 | W59-R85 VanDerWaalsContact CZ2-NH1 3.26Å; E66-R85 WeakPolarHBondContact OE2-CD 3.28Å; E66-R85 IonicContact OE2-CZ 2.73Å; E66-R85 IonicContact OE2-NE 3.56Å; E66-R85 IonicContact OE2-NH1 3.82Å; E66-R85 PolarHBondContact OE2-NH1 2.97Å; V81-R85 WeakPolarHBondContact O-CB 3.1Å; V81-R85 PolarHBondContact O-N 2.91Å; R82-R85 WeakPolarHBondContact O-CB 3.17Å; R82-R85 PolarHBondContact O-N 3.47Å; E83-R85 VanDerWaalsContact C-N 3.31Å; E83-R85 PolarHBondContact O-N 2.9Å; R85-F87 VanDerWaalsContact C-N 3.34Å; R85-F87 PolarHBondContact O-N 3.35Å; R85-Y88 PolarHBondContact O-N 2.97Å; R85-L89 HydrophobicContact CG-CD1 4.03Å; R85-L89 WeakPolarHBondContact O-CB 3.25Å; R85-L89 WeakPolarHBondContact O-CG 3.5Å; R85-L89 PolarHBondContact O-N 3.42Å; R85-E121 IonicContact CZ-OE1 3.82Å; R85-E121 IonicContact NE-OE1 3.09Å; R85-E121 IonicContact NH2-OE1 3.92Å; R85-E121 PolarHBondContact NH2-OE1 3.2Å; R85-I125 HydrophobicContact CG-CD1 3.92Å |
| 86 | V | 94.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 175.5 | 173.9 | 0 | 0 | 0 | 0 | 110.5 | R82 E83 Y84 Y88 L89 K90 A122 I125 M130 I136 L140 | R82-V86 WeakPolarHBondContact O-CG2 3.48Å; R82-V86 PolarHBondContact O-N 2.79Å; E83-V86 PolarHBondContact O-N 2.87Å; Y84-V86 PolarHBondContact O-N 3.33Å; V86-Y88 PolarHBondContact O-N 3.41Å; V86-L89 PolarHBondContact O-N 2.85Å; V86-K90 VanDerWaalsContact O-CB 3.3Å; V86-K90 WeakPolarHBondContact O-CB 3.28Å; V86-K90 PolarHBondContact O-N 3.03Å; V86-A122 HydrophobicContact CG1-CB 4.37Å; V86-I125 HydrophobicContact CG2-CB 3.82Å; V86-I125 HydrophobicContact CG2-CG2 3.52Å; V86-M130 HydrophobicContact CB-CE 3.63Å; V86-M130 HydrophobicContact CB-SD 4.47Å; V86-M130 HydrophobicContact CG1-CE 3.98Å; V86-M130 HydrophobicContact CG1-SD 4.23Å; V86-M130 HydrophobicContact CG2-CE 3.69Å; V86-M130 HydrophobicContact CG2-SD 4.41Å; V86-I136 HydrophobicContact CB-CG2 4.43Å; V86-I136 HydrophobicContact CG1-CG2 3.85Å; V86-L140 HydrophobicContact CG1-CD2 3.92Å |
| 87 | F | 93 | Very high | 88.9 | Confident | 80 Ų | 80 | 52 Ų | 52 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.3 | -46.7 | 179 | 177.9 | -96 | 0 | 0 | 0 | 112.8 | E83 Y84 R85 K90 M91 I136 | E83-F87 PolarHBondContact O-N 3.49Å; Y84-F87 WeakPolarHBondContact O-CB 3.19Å; Y84-F87 PolarHBondContact O-N 3.16Å; Y84-F87 VanDerWaalsContact O-N 3.16Å; R85-F87 VanDerWaalsContact C-N 3.34Å; R85-F87 PolarHBondContact O-N 3.35Å; F87-K90 WeakPolarHBondContact O-CB 3.32Å; F87-M91 HydrophobicContact CD1-CE 4.09Å; F87-M91 HydrophobicContact CE1-CE 3.28Å; F87-M91 HydrophobicContact CZ-CE 3.7Å; F87-M91 WeakPolarHBondContact O-CB 3.31Å; F87-M91 PolarHBondContact O-N 3.23Å; F87-I136 HydrophobicContact CB-CD1 4.5Å; F87-I136 HydrophobicContact CB-CG2 4.31Å |
| 88 | Y | 91.7 | Very high | 90.5 | Very high | 32 Ų | 32 | 50.7 Ų | 50.7 | 13% | 0.125 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -76.6 | -30 | -180 | -74.7 | -77.5 | 0 | 0 | 0 | 113.5 | A58 W59 L62 Y84 R85 V86 M91 K92 | A58-Y88 HydrophobicContact CB-CE1 4.06Å; A58-Y88 WeakPolarHBondContact CB-OH 3.4Å; W59-Y88 HydrophobicContact CB-CD1 4.36Å; W59-Y88 HydrophobicContact CE3-CD1 4.44Å; W59-Y88 HydrophobicContact CE3-CD2 4.35Å; W59-Y88 AromaticContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CE3-CG 3.77Å; W59-Y88 HydrophobicContact CZ3-CG 4.34Å; L62-Y88 HydrophobicContact CD1-CD2 3.43Å; L62-Y88 VanDerWaalsContact CD1-CD2 3.43Å; L62-Y88 HydrophobicContact CD1-CE2 2.95Å; L62-Y88 HydrophobicContact CG-CE2 4.45Å; Y84-Y88 HydrophobicContact CD1-CE2 4.35Å; Y84-Y88 WeakPolarHBondContact O-CD2 3.28Å; Y84-Y88 PolarHBondContact O-N 3.42Å; R85-Y88 PolarHBondContact O-N 2.97Å; V86-Y88 PolarHBondContact O-N 3.41Å; Y88-M91 HydrophobicContact CD1-CE 4.36Å; Y88-M91 HydrophobicContact CD1-SD 4.39Å; Y88-M91 HydrophobicContact CE1-CE 4.44Å; Y88-M91 PolarHBondContact O-N 3.28Å; Y88-K92 WeakPolarHBondContact O-CB 3.47Å; Y88-K92 PolarHBondContact O-N 3.1Å |
| 89 | L | 94.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -66.9 | -43.2 | 170.9 | -75.9 | 170.3 | 0 | 0 | 0 | 111.4 | W59 R85 V86 M91 K92 G93 E121 A122 I125 | W59-L89 HydrophobicContact CH2-CD2 3.64Å; W59-L89 HydrophobicContact CH2-CG 3.81Å; W59-L89 HydrophobicContact CZ2-CD2 4.39Å; W59-L89 HydrophobicContact CZ3-CG 4.27Å; R85-L89 HydrophobicContact CG-CD1 4.03Å; R85-L89 WeakPolarHBondContact O-CB 3.25Å; R85-L89 WeakPolarHBondContact O-CG 3.5Å; R85-L89 PolarHBondContact O-N 3.42Å; V86-L89 PolarHBondContact O-N 2.85Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.47Å; L89-K92 WeakPolarHBondContact O-CB 3.36Å; L89-K92 PolarHBondContact O-N 2.87Å; L89-G93 PolarHBondContact O-N 3.2Å; L89-E121 HydrophobicContact CD1-CB 4.14Å; L89-E121 HydrophobicContact CD1-CG 3.7Å; L89-E121 HydrophobicContact CD2-CB 4.47Å; L89-E121 HydrophobicContact CD2-CG 4.31Å; L89-E121 WeakPolarHBondContact CD2-OE2 3.24Å; L89-A122 HydrophobicContact CB-CB 3.64Å; L89-A122 HydrophobicContact CD1-CB 4.41Å; L89-I125 HydrophobicContact CD1-CD1 3.73Å |
| 90 | K | 95.9 | Very high | 92.3 | Very high | 35 Ų | 35 | 51.4 Ų | 51.4 | 15% | 0.152 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.5 | -50.2 | 169.7 | 177.7 | -168.5 | 174.2 | -67.9 | 0 | 110.2 | V86 F87 K92 G93 D94 G139 L140 N143 | V86-K90 VanDerWaalsContact O-CB 3.3Å; V86-K90 WeakPolarHBondContact O-CB 3.28Å; V86-K90 PolarHBondContact O-N 3.03Å; F87-K90 WeakPolarHBondContact O-CB 3.32Å; K90-K92 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.21Å; K90-G93 WeakPolarHBondContact O-CA 3.45Å; K90-G93 PolarHBondContact O-N 3.41Å; K90-G93 VanDerWaalsContact O-N 3.15Å; K90-D94 IonicContact NZ-OD2 3.89Å; K90-D94 PolarHBondContact NZ-OD2 2.98Å; K90-D94 PolarHBondContact O-N 3.44Å; K90-G139 VanDerWaalsContact CE-C 3.4Å; K90-G139 WeakPolarHBondContact CE-O 3.39Å; K90-L140 HydrophobicContact CB-CB 4.47Å; K90-L140 HydrophobicContact CB-CD1 3.86Å; K90-L140 HydrophobicContact CD-CB 4.04Å; K90-L140 HydrophobicContact CG-CB 4.19Å; K90-L140 HydrophobicContact CG-CD1 3.9Å; K90-N143 PolarHBondContact NZ-ND2 3.42Å |
| 91 | M | 93.7 | Very high | 92.9 | Very high | 30 Ų | 30 | 50.8 Ų | 50.8 | 15% | 0.148 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.7 | -42.5 | 178.8 | -172.7 | -174 | -59 | 0 | 0 | 112 | Q55 F87 Y88 L89 G93 D94 Y95 | Q55-M91 HydrophobicContact CB-SD 4.09Å; Q55-M91 HydrophobicContact CG-SD 4.02Å; F87-M91 HydrophobicContact CD1-CE 4.09Å; F87-M91 HydrophobicContact CE1-CE 3.28Å; F87-M91 HydrophobicContact CZ-CE 3.7Å; F87-M91 WeakPolarHBondContact O-CB 3.31Å; F87-M91 PolarHBondContact O-N 3.23Å; Y88-M91 HydrophobicContact CD1-CE 4.36Å; Y88-M91 HydrophobicContact CD1-SD 4.39Å; Y88-M91 HydrophobicContact CE1-CE 4.44Å; Y88-M91 PolarHBondContact O-N 3.28Å; L89-M91 VanDerWaalsContact C-N 3.3Å; L89-M91 PolarHBondContact O-N 3.47Å; M91-G93 VanDerWaalsContact C-N 3.32Å; M91-G93 PolarHBondContact O-N 3.39Å; M91-D94 WeakPolarHBondContact O-CB 3.36Å; M91-D94 PolarHBondContact O-N 3.19Å; M91-Y95 HydrophobicContact CG-CD2 3.77Å; M91-Y95 HydrophobicContact CG-CE2 3.51Å; M91-Y95 WeakPolarHBondContact O-CD2 3.38Å; M91-Y95 PolarHBondContact O-N 3Å; M91-Y95 HydrophobicContact SD-CE2 3.92Å |
| 92 | K | 93.7 | Very high | 93.4 | Very high | 77 Ų | 77 | 55.3 Ų | 55.3 | 34% | 0.335 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -58.4 | -45 | 174 | 177.8 | -174.1 | 170.9 | -165.7 | 0 | 111 | Y88 L89 K90 Y95 Y96 A118 | Y88-K92 WeakPolarHBondContact O-CB 3.47Å; Y88-K92 PolarHBondContact O-N 3.1Å; L89-K92 WeakPolarHBondContact O-CB 3.36Å; L89-K92 PolarHBondContact O-N 2.87Å; K90-K92 VanDerWaalsContact C-N 3.35Å; K90-K92 PolarHBondContact O-N 3.21Å; K92-Y95 PolarHBondContact O-N 2.92Å; K92-Y96 HydrophobicContact CD-CE2 4.35Å; K92-Y96 HydrophobicContact CG-CD2 3.93Å; K92-Y96 HydrophobicContact CG-CE2 3.71Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 2.93Å; K92-Y96 VanDerWaalsContact O-N 3.08Å; K92-A118 HydrophobicContact CB-CB 4.24Å; K92-A118 HydrophobicContact CD-CB 3.92Å; K92-A118 HydrophobicContact CG-CB 3.92Å |
| 93 | G | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -47.4 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L89 K90 M91 Y95 Y96 R97 | L89-G93 PolarHBondContact O-N 3.2Å; K90-G93 WeakPolarHBondContact O-CA 3.45Å; K90-G93 PolarHBondContact O-N 3.41Å; K90-G93 VanDerWaalsContact O-N 3.15Å; M91-G93 VanDerWaalsContact C-N 3.32Å; M91-G93 PolarHBondContact O-N 3.39Å; G93-Y95 PolarHBondContact O-N 2.98Å; G93-Y96 PolarHBondContact O-N 2.84Å; G93-R97 WeakPolarHBondContact O-CB 3.21Å; G93-R97 PolarHBondContact O-N 3.15Å |
| 94 | D | 96.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 5% | 0.053 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 177.8 | -69.4 | -34.9 | 0 | 0 | 0 | 112.1 | K90 M91 R97 Y98 Y119 N143 | K90-D94 IonicContact NZ-OD2 3.89Å; K90-D94 PolarHBondContact NZ-OD2 2.98Å; K90-D94 PolarHBondContact O-N 3.44Å; M91-D94 WeakPolarHBondContact O-CB 3.36Å; M91-D94 PolarHBondContact O-N 3.19Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 2.92Å; D94-R97 IonicContact OD1-NE 2.78Å; D94-R97 IonicContact OD1-NH2 3.13Å; D94-R97 PolarHBondContact OD1-NH2 2.83Å; D94-Y98 HydrophobicContact CB-CE2 4.03Å; D94-Y98 WeakPolarHBondContact O-CD2 3.3Å; D94-Y98 WeakPolarHBondContact O-CE2 3.41Å; D94-Y98 PolarHBondContact O-N 3.25Å; D94-Y119 VanDerWaalsContact CA-OH 3.26Å; D94-Y119 WeakPolarHBondContact CA-OH 3.37Å; D94-Y119 PolarHBondContact N-OH 3.33Å; D94-Y119 PolarHBondContact OD1-OH 3.43Å; D94-N143 VanDerWaalsContact CG-ND2 3.28Å; D94-N143 WeakPolarHBondContact OD1-CB 3.5Å; D94-N143 PolarHBondContact OD1-ND2 3.46Å; D94-N143 PolarHBondContact OD2-ND2 3.36Å; D94-N143 VanDerWaalsContact OD2-ND2 3.09Å |
| 95 | Y | 93.7 | Very high | 93.9 | Very high | 94 Ų | 94 | 52.1 Ų | 52.1 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 177.7 | -80.6 | -74.7 | 0 | 0 | 0 | 113.1 | V52 M91 K92 G93 R97 Y98 L99 | V52-Y95 HydrophobicContact CG2-CE1 4.1Å; M91-Y95 HydrophobicContact CG-CD2 3.77Å; M91-Y95 HydrophobicContact CG-CE2 3.51Å; M91-Y95 WeakPolarHBondContact O-CD2 3.38Å; M91-Y95 PolarHBondContact O-N 3Å; M91-Y95 HydrophobicContact SD-CE2 3.92Å; K92-Y95 PolarHBondContact O-N 2.92Å; G93-Y95 PolarHBondContact O-N 2.98Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; Y95-Y98 HydrophobicContact CD1-CD2 4.22Å; Y95-Y98 PolarHBondContact O-N 3.45Å; Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.41Å; Y95-L99 PolarHBondContact O-N 3.45Å |
| 96 | Y | 96.3 | Very high | 93.8 | Very high | 78 Ų | 78 | 57.7 Ų | 57.7 | 31% | 0.306 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -66.7 | -35.1 | 172.9 | -77.7 | -62.9 | 0 | 0 | 0 | 111.9 | K92 G93 L99 A100 I111 | K92-Y96 HydrophobicContact CD-CE2 4.35Å; K92-Y96 HydrophobicContact CG-CD2 3.93Å; K92-Y96 HydrophobicContact CG-CE2 3.71Å; K92-Y96 WeakPolarHBondContact O-CD2 3.34Å; K92-Y96 PolarHBondContact O-N 2.93Å; K92-Y96 VanDerWaalsContact O-N 3.08Å; G93-Y96 PolarHBondContact O-N 2.84Å; Y96-L99 HydrophobicContact CD1-CD1 4.21Å; Y96-L99 PolarHBondContact O-N 3.39Å; Y96-A100 WeakPolarHBondContact O-CB 3.3Å; Y96-A100 PolarHBondContact O-N 2.94Å; Y96-I111 HydrophobicContact CD1-CG2 4.18Å; Y96-I111 WeakPolarHBondContact O-CG2 3.26Å |
| 97 | R | 96.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 61.8 Ų | 61.8 | 8% | 0.075 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -50.7 | 172.5 | -175.1 | 176.7 | 50.1 | 75.6 | -1.1 | 111 | G93 D94 Y95 L99 A100 E101 Y119 F147 I151 | G93-R97 WeakPolarHBondContact O-CB 3.21Å; G93-R97 PolarHBondContact O-N 3.15Å; D94-R97 WeakPolarHBondContact O-CB 3.44Å; D94-R97 PolarHBondContact O-N 2.92Å; D94-R97 IonicContact OD1-NE 2.78Å; D94-R97 IonicContact OD1-NH2 3.13Å; D94-R97 PolarHBondContact OD1-NH2 2.83Å; Y95-R97 VanDerWaalsContact C-N 3.31Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.01Å; R97-A100 WeakPolarHBondContact O-CA 3.32Å; R97-A100 WeakPolarHBondContact O-CB 3.47Å; R97-A100 PolarHBondContact O-N 3.01Å; R97-E101 IonicContact NH1-OE1 3.64Å; R97-E101 PolarHBondContact NH1-OE1 3.21Å; R97-E101 VanDerWaalsContact NH1-OE1 3.09Å; R97-E101 PolarHBondContact O-N 2.94Å; R97-E101 VanDerWaalsContact O-N 3.13Å; R97-Y119 PolarHBondContact NE-OH 2.87Å; R97-F147 HydrophobicContact CB-CD2 4.4Å; R97-F147 HydrophobicContact CG-CD2 4.19Å; R97-I151 HydrophobicContact CG-CG1 3.76Å |
| 98 | Y | 94.1 | Very high | 93.6 | Very high | 107 Ų | 107 | 61.9 Ų | 61.9 | 42% | 0.42 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.7 | -37.2 | 175.8 | -55.6 | -40.5 | 0 | 0 | 0 | 112.7 | D94 Y95 A100 | D94-Y98 HydrophobicContact CB-CE2 4.03Å; D94-Y98 WeakPolarHBondContact O-CD2 3.3Å; D94-Y98 WeakPolarHBondContact O-CE2 3.41Å; D94-Y98 PolarHBondContact O-N 3.25Å; Y95-Y98 HydrophobicContact CD1-CD2 4.22Å; Y95-Y98 PolarHBondContact O-N 3.45Å; Y98-A100 VanDerWaalsContact C-N 3.34Å |
| 99 | L | 94 | Very high | 93.7 | Very high | 90 Ų | 90 | 67.5 Ų | 67.5 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -36 | 173.7 | -71.9 | 170.8 | 0 | 0 | 0 | 111.9 | Y95 Y96 R97 E101 V102 A103 I111 | Y95-L99 VanDerWaalsContact O-CG 3.3Å; Y95-L99 WeakPolarHBondContact O-CG 3.41Å; Y95-L99 PolarHBondContact O-N 3.45Å; Y96-L99 HydrophobicContact CD1-CD1 4.21Å; Y96-L99 PolarHBondContact O-N 3.39Å; R97-L99 VanDerWaalsContact C-N 3.27Å; R97-L99 PolarHBondContact O-N 3.01Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.12Å; L99-V102 WeakPolarHBondContact O-CG2 3.37Å; L99-V102 PolarHBondContact O-N 3.22Å; L99-A103 VanDerWaalsContact O-CB 3.22Å; L99-A103 WeakPolarHBondContact O-CB 3.06Å; L99-A103 PolarHBondContact O-N 2.95Å; L99-I111 HydrophobicContact CB-CD1 4.33Å; L99-I111 HydrophobicContact CB-CG2 3.79Å |
| 100 | A | 95 | Very high | 93.7 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -67.6 | -31 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y96 R97 Y98 V102 K108 I111 I112 I151 | Y96-A100 WeakPolarHBondContact O-CB 3.3Å; Y96-A100 PolarHBondContact O-N 2.94Å; R97-A100 WeakPolarHBondContact O-CA 3.32Å; R97-A100 WeakPolarHBondContact O-CB 3.47Å; R97-A100 PolarHBondContact O-N 3.01Å; Y98-A100 VanDerWaalsContact C-N 3.34Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.24Å; A100-K108 WeakPolarHBondContact O-CE 3.29Å; A100-I111 HydrophobicContact CB-CG2 3.83Å; A100-I112 HydrophobicContact CB-CG1 3.92Å; A100-I151 HydrophobicContact CB-CG2 3.71Å |
| 101 | E | 93.8 | Very high | 93.7 | Very high | 95 Ų | 95 | 74.6 Ų | 74.6 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.7 | -35.2 | 176.9 | -70.3 | 165.5 | -160.4 | 0 | 0 | 111.8 | R97 L99 I151 | R97-E101 IonicContact NH1-OE1 3.64Å; R97-E101 PolarHBondContact NH1-OE1 3.21Å; R97-E101 VanDerWaalsContact NH1-OE1 3.09Å; R97-E101 PolarHBondContact O-N 2.94Å; R97-E101 VanDerWaalsContact O-N 3.13Å; L99-E101 VanDerWaalsContact C-N 3.31Å; L99-E101 PolarHBondContact O-N 3.12Å; E101-I151 HydrophobicContact CG-CD1 3.67Å |
| 102 | V | 93.9 | Very high | 93.8 | Very high | 115 Ų | 115 | 74.4 Ų | 74.4 | 70% | 0.697 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -105.2 | -13.1 | -177.4 | -60.2 | 0 | 0 | 0 | 0 | 114.2 | L99 A100 | L99-V102 WeakPolarHBondContact O-CG2 3.37Å; L99-V102 PolarHBondContact O-N 3.22Å; A100-V102 VanDerWaalsContact C-N 3.26Å; A100-V102 PolarHBondContact O-N 3.24Å |
| 103 | A | 92.9 | Very high | 93.9 | Very high | 18 Ų | 18 | 74.3 Ų | 74.3 | 15% | 0.149 | 38% | 0.376 | C | S | . | . | trans | -72.6 | 151.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L99 K108 I111 | L99-A103 VanDerWaalsContact O-CB 3.22Å; L99-A103 WeakPolarHBondContact O-CB 3.06Å; L99-A103 PolarHBondContact O-N 2.95Å; A103-K108 HydrophobicContact CB-CB 3.96Å; A103-K108 HydrophobicContact CB-CG 4.28Å; A103-K108 WeakPolarHBondContact O-CD 3.21Å; A103-I111 HydrophobicContact CB-CD1 3.61Å | ||
| 104 | T | 90.2 | Very high | 93.9 | Very high | 116 Ų | 116 | 76 Ų | 76 | 71% | 0.712 | 39% | 0.388 | S | S | * | . | trans | -133.4 | 161.3 | 176.3 | 58.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 105 | G | 90.3 | Very high | 94 | Very high | 63 Ų | 63 | 75.6 Ų | 75.6 | 65% | 0.649 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | 62.1 | -149.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | D107 K108 | G105-D107 PolarHBondContact O-N 2.59Å; G105-K108 WeakPolarHBondContact O-CB 3.28Å; G105-K108 PolarHBondContact O-N 3.09Å; G105-K108 VanDerWaalsContact O-N 3.12Å |
| 106 | D | 88.5 | Confident | 94.2 | Very high | 152 Ų | 152 | 75.3 Ų | 75.3 | 81% | 0.813 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.3 | -28.5 | -175.8 | -66.7 | -26.1 | 0 | 0 | 0 | 113.3 | K108 K109 R110 | D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.02Å; D106-K109 PolarHBondContact O-N 2.77Å; D106-R110 PolarHBondContact O-N 2.96Å |
| 107 | D | 90.8 | Very high | 94.2 | Very high | 86 Ų | 86 | 75 Ų | 75 | 46% | 0.46 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 176.1 | -82 | -32.2 | 0 | 0 | 0 | 111.7 | G105 K109 R110 I111 | G105-D107 PolarHBondContact O-N 2.59Å; D107-K109 VanDerWaalsContact C-N 3.35Å; D107-K109 PolarHBondContact O-N 3.43Å; D107-R110 PolarHBondContact O-N 3.39Å; D107-R110 IonicContact OD1-CZ 3.68Å; D107-R110 IonicContact OD1-NE 2.92Å; D107-R110 IonicContact OD1-NH2 3.76Å; D107-R110 PolarHBondContact OD1-NH2 3.44Å; D107-I111 HydrophobicContact CB-CD1 4.47Å; D107-I111 WeakPolarHBondContact O-CB 3.4Å; D107-I111 WeakPolarHBondContact O-CD1 3.35Å; D107-I111 WeakPolarHBondContact O-CG1 3.48Å; D107-I111 PolarHBondContact O-N 3.24Å |
| 108 | K | 93.5 | Very high | 94.3 | Very high | 81 Ų | 81 | 74 Ų | 74 | 35% | 0.352 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 178.9 | -171.9 | 173.4 | -173.6 | 161.9 | 0 | 111.1 | A100 A103 G105 D106 R110 I111 I112 | A100-K108 WeakPolarHBondContact O-CE 3.29Å; A103-K108 HydrophobicContact CB-CB 3.96Å; A103-K108 HydrophobicContact CB-CG 4.28Å; A103-K108 WeakPolarHBondContact O-CD 3.21Å; G105-K108 WeakPolarHBondContact O-CB 3.28Å; G105-K108 PolarHBondContact O-N 3.09Å; G105-K108 VanDerWaalsContact O-N 3.12Å; D106-K108 VanDerWaalsContact C-N 3.27Å; D106-K108 PolarHBondContact O-N 3.02Å; K108-R110 PolarHBondContact O-N 2.97Å; K108-I111 PolarHBondContact O-N 3.44Å; K108-I112 HydrophobicContact CD-CD1 4.5Å; K108-I112 HydrophobicContact CG-CD1 3.89Å; K108-I112 HydrophobicContact CG-CG1 4.39Å; K108-I112 VanDerWaalsContact O-CG1 3.26Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 3.09Å |
| 109 | K | 93.3 | Very high | 94.5 | Very high | 150 Ų | 150 | 69 Ų | 69 | 65% | 0.652 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -60.6 | -48.6 | -179.6 | -174.7 | 176.4 | 179.6 | 178.9 | 0 | 111.8 | D106 D107 I111 I112 D113 | D106-K109 PolarHBondContact O-N 2.77Å; D107-K109 VanDerWaalsContact C-N 3.35Å; D107-K109 PolarHBondContact O-N 3.43Å; K109-I111 VanDerWaalsContact C-N 3.28Å; K109-I111 PolarHBondContact O-N 3.38Å; K109-I112 PolarHBondContact O-N 2.86Å; K109-D113 PolarHBondContact O-N 2.96Å |
| 110 | R | 95.2 | Very high | 94.7 | Very high | 159 Ų | 159 | 68.6 Ų | 68.6 | 60% | 0.6 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -59.7 | -39.2 | 178 | 179.2 | 178 | 61.7 | 165 | -2.4 | 112.5 | D106 D107 K108 S114 | D106-R110 PolarHBondContact O-N 2.96Å; D107-R110 PolarHBondContact O-N 3.39Å; D107-R110 IonicContact OD1-CZ 3.68Å; D107-R110 IonicContact OD1-NE 2.92Å; D107-R110 IonicContact OD1-NH2 3.76Å; D107-R110 PolarHBondContact OD1-NH2 3.44Å; K108-R110 PolarHBondContact O-N 2.97Å; R110-S114 WeakPolarHBondContact O-CB 3.34Å; R110-S114 PolarHBondContact O-N 3.46Å; R110-S114 PolarHBondContact O-OG 3.15Å |
| 111 | I | 95.6 | Very high | 94.7 | Very high | 26 Ų | 26 | 71.7 Ų | 71.7 | 13% | 0.133 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 178.3 | -70 | 165 | 0 | 0 | 0 | 110.6 | Y96 L99 A100 A103 D107 K108 K109 D113 S114 A115 | Y96-I111 HydrophobicContact CD1-CG2 4.18Å; Y96-I111 WeakPolarHBondContact O-CG2 3.26Å; L99-I111 HydrophobicContact CB-CD1 4.33Å; L99-I111 HydrophobicContact CB-CG2 3.79Å; A100-I111 HydrophobicContact CB-CG2 3.83Å; A103-I111 HydrophobicContact CB-CD1 3.61Å; D107-I111 HydrophobicContact CB-CD1 4.47Å; D107-I111 WeakPolarHBondContact O-CB 3.4Å; D107-I111 WeakPolarHBondContact O-CD1 3.35Å; D107-I111 WeakPolarHBondContact O-CG1 3.48Å; D107-I111 PolarHBondContact O-N 3.24Å; K108-I111 PolarHBondContact O-N 3.44Å; K109-I111 VanDerWaalsContact C-N 3.28Å; K109-I111 PolarHBondContact O-N 3.38Å; I111-D113 PolarHBondContact O-N 3.41Å; I111-S114 WeakPolarHBondContact O-CB 3.38Å; I111-S114 PolarHBondContact O-N 3.49Å; I111-A115 PolarHBondContact O-N 3.28Å |
| 112 | I | 96 | Very high | 94.9 | Very high | 25 Ų | 25 | 67.1 Ų | 67.1 | 13% | 0.128 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 175.7 | -69 | 175.3 | 0 | 0 | 0 | 110.9 | A100 K108 K109 S114 A115 R116 F147 I151 | A100-I112 HydrophobicContact CB-CG1 3.92Å; K108-I112 HydrophobicContact CD-CD1 4.5Å; K108-I112 HydrophobicContact CG-CD1 3.89Å; K108-I112 HydrophobicContact CG-CG1 4.39Å; K108-I112 VanDerWaalsContact O-CG1 3.26Å; K108-I112 WeakPolarHBondContact O-CG1 3.44Å; K108-I112 PolarHBondContact O-N 3.09Å; K109-I112 PolarHBondContact O-N 2.86Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 2.9Å; I112-A115 WeakPolarHBondContact O-CB 3.24Å; I112-A115 PolarHBondContact O-N 3.21Å; I112-R116 WeakPolarHBondContact O-CB 3.43Å; I112-R116 PolarHBondContact O-N 2.77Å; I112-F147 HydrophobicContact CG2-CE2 4.28Å; I112-F147 HydrophobicContact CG2-CZ 3.83Å; I112-I151 HydrophobicContact CD1-CG2 3.91Å; I112-I151 HydrophobicContact CG1-CG2 3.65Å |
| 113 | D | 96.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 41% | 0.406 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 177.8 | -69.4 | -26.6 | 0 | 0 | 0 | 111.7 | K109 I111 R116 S117 | K109-D113 PolarHBondContact O-N 2.96Å; I111-D113 PolarHBondContact O-N 3.41Å; D113-R116 IonicContact OD1-NH1 2.79Å; D113-S117 WeakPolarHBondContact O-CB 3.5Å; D113-S117 PolarHBondContact O-N 2.94Å |
| 114 | S | 96.8 | Very high | 95.2 | Very high | 36 Ų | 36 | 64.7 Ų | 64.7 | 25% | 0.252 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 112.5 | R110 I111 I112 A118 | R110-S114 WeakPolarHBondContact O-CB 3.34Å; R110-S114 PolarHBondContact O-N 3.46Å; R110-S114 PolarHBondContact O-OG 3.15Å; I111-S114 WeakPolarHBondContact O-CB 3.38Å; I111-S114 PolarHBondContact O-N 3.49Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 2.9Å; S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.07Å; S114-A118 VanDerWaalsContact O-N 3.11Å |
| 115 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | I111 I112 S117 A118 Y119 F147 | I111-A115 PolarHBondContact O-N 3.28Å; I112-A115 WeakPolarHBondContact O-CB 3.24Å; I112-A115 PolarHBondContact O-N 3.21Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 2.86Å; A115-A118 PolarHBondContact O-N 3.12Å; A115-Y119 HydrophobicContact CB-CE2 4.49Å; A115-Y119 VanDerWaalsContact O-CD2 3.24Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 3Å; A115-F147 HydrophobicContact CB-CD2 4.05Å; A115-F147 HydrophobicContact CB-CE2 3.48Å; A115-F147 VanDerWaalsContact CB-CE2 3.48Å; A115-F147 HydrophobicContact CB-CZ 3.99Å |
| 116 | R | 97.5 | Very high | 95.6 | Very high | 89 Ų | 89 | 57.8 Ų | 57.8 | 34% | 0.336 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -57.5 | -46.8 | 179 | -175.2 | -178.7 | -73.2 | 146.6 | -7.7 | 111.6 | I112 D113 A118 Y119 Q120 F147 | I112-R116 WeakPolarHBondContact O-CB 3.43Å; I112-R116 PolarHBondContact O-N 2.77Å; D113-R116 IonicContact OD1-NH1 2.79Å; R116-A118 PolarHBondContact O-N 3.46Å; R116-Y119 PolarHBondContact O-N 2.92Å; R116-Q120 VanDerWaalsContact O-CB 3.29Å; R116-Q120 WeakPolarHBondContact O-CB 3.45Å; R116-Q120 PolarHBondContact O-N 3.41Å; R116-F147 HydrophobicContact CB-CE1 3.94Å; R116-F147 HydrophobicContact CB-CZ 4Å; R116-F147 HydrophobicContact CG-CE1 4.43Å |
| 117 | S | 97.8 | Very high | 95.9 | Very high | 71 Ų | 71 | 55.6 Ų | 55.6 | 50% | 0.497 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | D113 A115 E121 | D113-S117 WeakPolarHBondContact O-CB 3.5Å; D113-S117 PolarHBondContact O-N 2.94Å; A115-S117 VanDerWaalsContact C-N 3.35Å; A115-S117 PolarHBondContact O-N 2.86Å; S117-E121 WeakPolarHBondContact O-CB 3.43Å; S117-E121 PolarHBondContact O-N 2.93Å |
| 118 | A | 97.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -43.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K92 S114 A115 R116 A122 | K92-A118 HydrophobicContact CB-CB 4.24Å; K92-A118 HydrophobicContact CD-CB 3.92Å; K92-A118 HydrophobicContact CG-CB 3.92Å; S114-A118 WeakPolarHBondContact O-CB 3.48Å; S114-A118 PolarHBondContact O-N 3.07Å; S114-A118 VanDerWaalsContact O-N 3.11Å; A115-A118 PolarHBondContact O-N 3.12Å; R116-A118 PolarHBondContact O-N 3.46Å; A118-A122 WeakPolarHBondContact O-CB 3.45Å; A118-A122 PolarHBondContact O-N 3.09Å; A118-A122 VanDerWaalsContact O-N 3.09Å |
| 119 | Y | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 176.3 | -74.5 | -54.3 | 0 | 0 | 0 | 112.3 | D94 R97 A115 R116 A122 M123 L140 N143 F144 F147 | D94-Y119 VanDerWaalsContact CA-OH 3.26Å; D94-Y119 WeakPolarHBondContact CA-OH 3.37Å; D94-Y119 PolarHBondContact N-OH 3.33Å; D94-Y119 PolarHBondContact OD1-OH 3.43Å; R97-Y119 PolarHBondContact NE-OH 2.87Å; A115-Y119 HydrophobicContact CB-CE2 4.49Å; A115-Y119 VanDerWaalsContact O-CD2 3.24Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 3Å; R116-Y119 PolarHBondContact O-N 2.92Å; Y119-A122 WeakPolarHBondContact O-CB 3.42Å; Y119-A122 PolarHBondContact O-N 3.43Å; Y119-M123 WeakPolarHBondContact O-CG 3.37Å; Y119-M123 PolarHBondContact O-N 3.31Å; Y119-L140 HydrophobicContact CD1-CD1 3.65Å; Y119-L140 HydrophobicContact CE1-CD1 4.34Å; Y119-N143 HydrophobicContact CE1-CB 4.23Å; Y119-F144 VanDerWaalsContact CB-CE2 3.46Å; Y119-F144 HydrophobicContact CD1-CB 4.18Å; Y119-F144 HydrophobicContact CD1-CD2 4.47Å; Y119-F144 HydrophobicContact CD1-CG 4.44Å; Y119-F144 AromaticContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CE2 4.01Å; Y119-F144 HydrophobicContact CD2-CG 4.28Å; Y119-F144 HydrophobicContact CE2-CD2 4.41Å; Y119-F144 HydrophobicContact CG-CB 4.1Å; Y119-F144 AromaticContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CE2 4.09Å; Y119-F144 AromaticContact CG-CG 3.89Å; Y119-F144 HydrophobicContact CG-CG 3.89Å; Y119-F147 HydrophobicContact CD2-CB 4.29Å; Y119-F147 HydrophobicContact CD2-CD1 4.38Å; Y119-F147 HydrophobicContact CD2-CG 4.14Å; Y119-F147 HydrophobicContact CE2-CB 3.82Å; Y119-F147 HydrophobicContact CE2-CD2 4.14Å; Y119-F147 AromaticContact CE2-CG 3.94Å; Y119-F147 HydrophobicContact CE2-CG 3.94Å |
| 120 | Q | 97.8 | Very high | 95.7 | Very high | 82 Ų | 82 | 53.1 Ų | 53.1 | 38% | 0.383 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 178.5 | -171.7 | 62.1 | 53.9 | 0 | 0 | 111.6 | R116 A122 M123 D124 | R116-Q120 VanDerWaalsContact O-CB 3.29Å; R116-Q120 WeakPolarHBondContact O-CB 3.45Å; R116-Q120 PolarHBondContact O-N 3.41Å; Q120-A122 VanDerWaalsContact C-N 3.29Å; Q120-A122 PolarHBondContact O-N 3.42Å; Q120-M123 PolarHBondContact O-N 2.71Å; Q120-M123 VanDerWaalsContact O-N 3.13Å; Q120-D124 PolarHBondContact NE2-OD1 3.18Å; Q120-D124 VanDerWaalsContact O-CG 3.23Å; Q120-D124 PolarHBondContact O-N 2.92Å |
| 121 | E | 96.3 | Very high | 95.6 | Very high | 65 Ų | 65 | 48.8 Ų | 48.8 | 30% | 0.304 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 175 | -169.8 | -171.9 | 155.4 | 0 | 0 | 111 | R85 L89 S117 M123 D124 I125 | R85-E121 IonicContact CZ-OE1 3.82Å; R85-E121 IonicContact NE-OE1 3.09Å; R85-E121 IonicContact NH2-OE1 3.92Å; R85-E121 PolarHBondContact NH2-OE1 3.2Å; L89-E121 HydrophobicContact CD1-CB 4.14Å; L89-E121 HydrophobicContact CD1-CG 3.7Å; L89-E121 HydrophobicContact CD2-CB 4.47Å; L89-E121 HydrophobicContact CD2-CG 4.31Å; L89-E121 WeakPolarHBondContact CD2-OE2 3.24Å; S117-E121 WeakPolarHBondContact O-CB 3.43Å; S117-E121 PolarHBondContact O-N 2.93Å; E121-M123 PolarHBondContact O-N 2.76Å; E121-D124 PolarHBondContact O-N 3.23Å; E121-I125 HydrophobicContact CG-CD1 4.36Å; E121-I125 WeakPolarHBondContact O-CG1 3.15Å; E121-I125 PolarHBondContact O-N 3.45Å |
| 122 | A | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.8 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | V86 L89 A118 Y119 Q120 I125 S126 L140 | V86-A122 HydrophobicContact CG1-CB 4.37Å; L89-A122 HydrophobicContact CB-CB 3.64Å; L89-A122 HydrophobicContact CD1-CB 4.41Å; A118-A122 WeakPolarHBondContact O-CB 3.45Å; A118-A122 PolarHBondContact O-N 3.09Å; A118-A122 VanDerWaalsContact O-N 3.09Å; Y119-A122 WeakPolarHBondContact O-CB 3.42Å; Y119-A122 PolarHBondContact O-N 3.43Å; Q120-A122 VanDerWaalsContact C-N 3.29Å; Q120-A122 PolarHBondContact O-N 3.42Å; A122-I125 PolarHBondContact O-N 2.89Å; A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.43Å; A122-S126 PolarHBondContact O-N 2.9Å; A122-S126 PolarHBondContact O-OG 3.09Å; A122-L140 VanDerWaalsContact C-CD2 3.46Å; A122-L140 HydrophobicContact CB-CD1 3.73Å; A122-L140 HydrophobicContact CB-CD2 3.5Å; A122-L140 VanDerWaalsContact CB-CD2 3.5Å; A122-L140 HydrophobicContact CB-CG 4.28Å |
| 123 | M | 97.2 | Very high | 95.5 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.5 | -45 | -179.5 | -77.8 | -60.9 | -59.7 | 0 | 0 | 110.8 | Y119 Q120 E121 I125 S126 K127 L140 A141 F144 L161 | Y119-M123 WeakPolarHBondContact O-CG 3.37Å; Y119-M123 PolarHBondContact O-N 3.31Å; Q120-M123 PolarHBondContact O-N 2.71Å; Q120-M123 VanDerWaalsContact O-N 3.13Å; E121-M123 PolarHBondContact O-N 2.76Å; M123-I125 VanDerWaalsContact C-N 3.31Å; M123-I125 PolarHBondContact O-N 3.29Å; M123-S126 WeakPolarHBondContact CA-OG 3.19Å; M123-S126 PolarHBondContact O-N 3.37Å; M123-S126 PolarHBondContact O-OG 3.23Å; M123-K127 WeakPolarHBondContact O-CB 3.42Å; M123-K127 WeakPolarHBondContact O-CG 3.36Å; M123-K127 PolarHBondContact O-N 2.83Å; M123-L140 HydrophobicContact CG-CD2 3.98Å; M123-L140 HydrophobicContact CG-CG 4.21Å; M123-L140 HydrophobicContact SD-CD2 3.54Å; M123-L140 VanDerWaalsContact SD-CD2 3.54Å; M123-L140 HydrophobicContact SD-CG 3.6Å; M123-L140 VanDerWaalsContact SD-CG 3.6Å; M123-A141 HydrophobicContact SD-CB 4.34Å; M123-F144 HydrophobicContact CG-CD1 3.62Å; M123-F144 HydrophobicContact CG-CE1 3.96Å; M123-F144 HydrophobicContact SD-CD1 4.45Å; M123-L161 HydrophobicContact CE-CD1 3.93Å |
| 124 | D | 96.1 | Very high | 95.4 | Very high | 76 Ų | 76 | 44.9 Ų | 44.9 | 41% | 0.406 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -63.1 | -37.4 | -178.9 | -67.5 | -14.9 | 0 | 0 | 0 | 112.2 | Q120 E121 K128 | Q120-D124 PolarHBondContact NE2-OD1 3.18Å; Q120-D124 VanDerWaalsContact O-CG 3.23Å; Q120-D124 PolarHBondContact O-N 2.92Å; E121-D124 PolarHBondContact O-N 3.23Å; D124-K128 WeakPolarHBondContact O-CD 3.4Å; D124-K128 WeakPolarHBondContact O-CG 3.35Å |
| 125 | I | 93.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 44.6 Ų | 44.6 | 17% | 0.174 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -72.6 | -49.2 | 174.5 | -61.5 | 167.4 | 0 | 0 | 0 | 109.9 | R82 R85 V86 L89 E121 A122 M123 K127 K128 E129 | R82-I125 HydrophobicContact CB-CG2 4.48Å; R85-I125 HydrophobicContact CG-CD1 3.92Å; V86-I125 HydrophobicContact CG2-CB 3.82Å; V86-I125 HydrophobicContact CG2-CG2 3.52Å; L89-I125 HydrophobicContact CD1-CD1 3.73Å; E121-I125 HydrophobicContact CG-CD1 4.36Å; E121-I125 WeakPolarHBondContact O-CG1 3.15Å; E121-I125 PolarHBondContact O-N 3.45Å; A122-I125 PolarHBondContact O-N 2.89Å; M123-I125 VanDerWaalsContact C-N 3.31Å; M123-I125 PolarHBondContact O-N 3.29Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.2Å; I125-K128 PolarHBondContact O-N 3.41Å; I125-K128 VanDerWaalsContact O-N 3.08Å; I125-E129 HydrophobicContact CG2-CG 4.09Å; I125-E129 WeakPolarHBondContact O-CB 3.5Å; I125-E129 WeakPolarHBondContact O-CG 3.5Å; I125-E129 PolarHBondContact O-N 3.11Å |
| 126 | S | 95.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.5 | -37.2 | -177 | 72.2 | 0 | 0 | 0 | 0 | 113.1 | A122 M123 K128 E129 M130 | A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.43Å; A122-S126 PolarHBondContact O-N 2.9Å; A122-S126 PolarHBondContact O-OG 3.09Å; M123-S126 WeakPolarHBondContact CA-OG 3.19Å; M123-S126 PolarHBondContact O-N 3.37Å; M123-S126 PolarHBondContact O-OG 3.23Å; S126-K128 VanDerWaalsContact C-N 3.26Å; S126-K128 PolarHBondContact O-N 2.9Å; S126-E129 PolarHBondContact O-N 3.44Å; S126-M130 WeakPolarHBondContact O-CB 3.39Å; S126-M130 PolarHBondContact O-N 2.96Å |
| 127 | K | 94.5 | Very high | 95 | Very high | 106 Ų | 106 | 43.1 Ų | 43.1 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.6 | -30 | 178 | -77.8 | -175.6 | 176.1 | -173.2 | 0 | 113.2 | M123 I125 | M123-K127 WeakPolarHBondContact O-CB 3.42Å; M123-K127 WeakPolarHBondContact O-CG 3.36Å; M123-K127 PolarHBondContact O-N 2.83Å; I125-K127 VanDerWaalsContact C-N 3.3Å; I125-K127 PolarHBondContact O-N 3.2Å |
| 128 | K | 91.9 | Very high | 95 | Very high | 168 Ų | 168 | 39.8 Ų | 39.8 | 73% | 0.73 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -86.8 | -35.2 | -179.5 | -67.3 | 174 | -174.8 | 174 | 0 | 112.5 | D124 I125 S126 | D124-K128 WeakPolarHBondContact O-CD 3.4Å; D124-K128 WeakPolarHBondContact O-CG 3.35Å; I125-K128 PolarHBondContact O-N 3.41Å; I125-K128 VanDerWaalsContact O-N 3.08Å; S126-K128 VanDerWaalsContact C-N 3.26Å; S126-K128 PolarHBondContact O-N 2.9Å |
| 129 | E | 89.8 | Confident | 95 | Very high | 85 Ų | 85 | 40.2 Ų | 40.2 | 40% | 0.397 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -109.7 | -13 | -164.3 | -58.2 | -63.4 | 156.5 | 0 | 0 | 114 | R82 I125 S126 | R82-E129 HydrophobicContact CB-CG 4.37Å; R82-E129 IonicContact CZ-OE2 3.7Å; R82-E129 IonicContact NE-OE1 2.71Å; R82-E129 IonicContact NE-OE2 3.16Å; R82-E129 PolarHBondContact NE-OE2 2.95Å; R82-E129 IonicContact NH2-OE2 3.46Å; R82-E129 PolarHBondContact NH2-OE2 3.42Å; I125-E129 HydrophobicContact CG2-CG 4.09Å; I125-E129 WeakPolarHBondContact O-CB 3.5Å; I125-E129 WeakPolarHBondContact O-CG 3.5Å; I125-E129 PolarHBondContact O-N 3.11Å; S126-E129 PolarHBondContact O-N 3.44Å |
| 130 | M | 91.5 | Very high | 95 | Very high | 12 Ų | 12 | 40.2 Ų | 40.2 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | S | Bend | trans | -128.4 | 141.7 | -173.7 | -56.7 | 174.1 | 172.3 | 0 | 0 | 111.8 | E83 V86 S126 N134 I136 R137 | E83-M130 HydrophobicContact CB-CE 3.81Å; E83-M130 HydrophobicContact CG-CE 3.73Å; V86-M130 HydrophobicContact CB-CE 3.63Å; V86-M130 HydrophobicContact CB-SD 4.47Å; V86-M130 HydrophobicContact CG1-CE 3.98Å; V86-M130 HydrophobicContact CG1-SD 4.23Å; V86-M130 HydrophobicContact CG2-CE 3.69Å; V86-M130 HydrophobicContact CG2-SD 4.41Å; S126-M130 WeakPolarHBondContact O-CB 3.39Å; S126-M130 PolarHBondContact O-N 2.96Å; M130-N134 HydrophobicContact CB-CB 4.02Å; M130-I136 HydrophobicContact CE-CG2 4.35Å; M130-R137 HydrophobicContact CB-CB 4.28Å; M130-R137 PolarHBondContact O-NH1 3.16Å; M130-R137 HydrophobicContact SD-CB 4Å |
| 131 | P | 92.9 | Very high | 95 | Very high | 68 Ų | 68 | 36.3 Ų | 36.3 | 44% | 0.442 | 18% | 0.183 | S | C | . | . | trans | -63.4 | 152.6 | 171 | 28.4 | -34.1 | 0 | 0 | 0 | 110.5 | T133 N134 | P131-T133 PolarHBondContact O-N 3.25Å; P131-N134 HydrophobicContact CG-CB 4.07Å; P131-N134 WeakPolarHBondContact O-CB 3.43Å; P131-N134 PolarHBondContact O-N 3.43Å | ||
| 132 | P | 95.3 | Very high | 95.1 | Very high | 18 Ų | 18 | 34 Ų | 34 | 12% | 0.117 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -24.7 | 178.3 | -26.2 | 35.8 | 0 | 0 | 0 | 114.3 | L138 E168 D172 | P132-L138 WeakPolarHBondContact O-CD2 2.98Å; P132-L138 WeakPolarHBondContact O-CG 3.34Å; P132-E168 HydrophobicContact CB-CB 3.88Å; P132-E168 HydrophobicContact CG-CB 4.27Å; P132-D172 WeakPolarHBondContact CD-OD2 3.35Å; P132-D172 WeakPolarHBondContact CG-OD2 3.48Å |
| 133 | T | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.8 | 179.5 | 51.4 | 0 | 0 | 0 | 0 | 114.3 | P131 A169 D172 T175 S184 | P131-T133 PolarHBondContact O-N 3.25Å; T133-A169 WeakPolarHBondContact CG2-O 3.45Å; T133-D172 HydrophobicContact CG2-CB 3.97Å; T133-D172 WeakPolarHBondContact CG2-O 3.48Å; T133-T175 PolarHBondContact OG1-OG1 3.38Å; T133-S184 WeakPolarHBondContact O-CB 3.33Å; T133-S184 PolarHBondContact O-OG 3.08Å |
| 134 | N | 93 | Very high | 95.2 | Very high | 24 Ų | 24 | 35.5 Ų | 35.5 | 13% | 0.128 | 18% | 0.18 | C | C | . | . | trans | -64.9 | 129.6 | 179.8 | 175.1 | -76.1 | 0 | 0 | 0 | 111 | E83 M130 P131 I136 R137 L138 | E83-N134 PolarHBondContact OE1-ND2 3.46Å; M130-N134 HydrophobicContact CB-CB 4.02Å; P131-N134 HydrophobicContact CG-CB 4.07Å; P131-N134 WeakPolarHBondContact O-CB 3.43Å; P131-N134 PolarHBondContact O-N 3.43Å; N134-I136 VanDerWaalsContact C-N 3.29Å; N134-I136 PolarHBondContact O-N 3.42Å; N134-I136 WeakPolarHBondContact OD1-CA 3.49Å; N134-I136 VanDerWaalsContact OD1-CB 3.27Å; N134-I136 WeakPolarHBondContact OD1-CB 3.43Å; N134-I136 PolarHBondContact OD1-N 2.84Å; N134-R137 HydrophobicContact CB-CB 4.23Å; N134-R137 PolarHBondContact O-N 2.94Å; N134-R137 PolarHBondContact OD1-N 2.83Å; N134-R137 VanDerWaalsContact OD1-N 3.13Å; N134-L138 WeakPolarHBondContact O-CG 3.21Å; N134-L138 PolarHBondContact O-N 3.18Å | ||
| 135 | P | 94.8 | Very high | 95.3 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 20% | 0.195 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.4 | -35.3 | -178.9 | -24.4 | 28.3 | 0 | 0 | 0 | 115 | G139 D183 S184 I187 | P135-G139 PolarHBondContact O-N 3.16Å; P135-D183 HydrophobicContact CB-CB 4.29Å; P135-D183 HydrophobicContact CG-CB 4.23Å; P135-S184 WeakPolarHBondContact CD-OG 3.49Å; P135-S184 WeakPolarHBondContact CG-OG 3.37Å; P135-I187 HydrophobicContact CB-CD1 4.18Å; P135-I187 WeakPolarHBondContact O-CD1 3.41Å |
| 136 | I | 94.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 31.3 Ų | 31.3 | 20% | 0.2 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.1 | -43.5 | 179.7 | -64.1 | 173.5 | 0 | 0 | 0 | 110.2 | E83 V86 F87 M130 N134 G139 L140 | E83-I136 HydrophobicContact CG-CD1 3.49Å; E83-I136 VanDerWaalsContact CG-CD1 3.49Å; E83-I136 WeakPolarHBondContact OE1-CD1 3.2Å; V86-I136 HydrophobicContact CB-CG2 4.43Å; V86-I136 HydrophobicContact CG1-CG2 3.85Å; F87-I136 HydrophobicContact CB-CD1 4.5Å; F87-I136 HydrophobicContact CB-CG2 4.31Å; M130-I136 HydrophobicContact CE-CG2 4.35Å; N134-I136 VanDerWaalsContact C-N 3.29Å; N134-I136 PolarHBondContact O-N 3.42Å; N134-I136 WeakPolarHBondContact OD1-CA 3.49Å; N134-I136 VanDerWaalsContact OD1-CB 3.27Å; N134-I136 WeakPolarHBondContact OD1-CB 3.43Å; N134-I136 PolarHBondContact OD1-N 2.84Å; I136-G139 PolarHBondContact O-N 3Å; I136-L140 VanDerWaalsContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CB 3.08Å; I136-L140 PolarHBondContact O-N 3.46Å |
| 137 | R | 95.9 | Very high | 95.7 | Very high | 19 Ų | 19 | 31.3 Ų | 31.3 | 7% | 0.072 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -46.8 | 174.3 | 179.9 | 173.9 | 168.6 | 173.2 | -4.7 | 111.4 | M130 N134 L140 A141 E168 | M130-R137 HydrophobicContact CB-CB 4.28Å; M130-R137 PolarHBondContact O-NH1 3.16Å; M130-R137 HydrophobicContact SD-CB 4Å; N134-R137 HydrophobicContact CB-CB 4.23Å; N134-R137 PolarHBondContact O-N 2.94Å; N134-R137 PolarHBondContact OD1-N 2.83Å; N134-R137 VanDerWaalsContact OD1-N 3.13Å; R137-L140 WeakPolarHBondContact O-CB 3.4Å; R137-L140 PolarHBondContact O-N 3.23Å; R137-A141 PolarHBondContact O-N 2.84Å; R137-E168 IonicContact CZ-OE2 3.99Å; R137-E168 IonicContact NH2-OE2 3.81Å; R137-E168 PolarHBondContact NH2-OE2 2.8Å |
| 138 | L | 97.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -48.1 | 176.3 | -73 | 173.7 | 0 | 0 | 0 | 111.8 | P132 N134 L140 A141 L142 T165 A169 I187 M188 L191 | P132-L138 WeakPolarHBondContact O-CD2 2.98Å; P132-L138 WeakPolarHBondContact O-CG 3.34Å; N134-L138 WeakPolarHBondContact O-CG 3.21Å; N134-L138 PolarHBondContact O-N 3.18Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.99Å; L138-A141 PolarHBondContact O-N 3.31Å; L138-L142 PolarHBondContact O-N 3.02Å; L138-T165 HydrophobicContact CD2-CG2 3.77Å; L138-A169 HydrophobicContact CD2-CB 3.74Å; L138-I187 HydrophobicContact CB-CB 4.2Å; L138-I187 HydrophobicContact CB-CD1 4.36Å; L138-I187 HydrophobicContact CB-CG2 3.67Å; L138-M188 HydrophobicContact CD1-CG 4.03Å; L138-M188 HydrophobicContact CD2-CG 4.22Å; L138-L191 HydrophobicContact CD2-CD1 4.23Å |
| 139 | G | 97.5 | Very high | 96.1 | Very high | 10 Ų | 10 | 21.1 Ų | 21.1 | 10% | 0.103 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -66.4 | -32.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | K90 P135 I136 N143 | K90-G139 VanDerWaalsContact CE-C 3.4Å; K90-G139 WeakPolarHBondContact CE-O 3.39Å; P135-G139 PolarHBondContact O-N 3.16Å; I136-G139 PolarHBondContact O-N 3Å; G139-N143 PolarHBondContact O-N 3.39Å; G139-N143 VanDerWaalsContact O-N 3.12Å; G139-N143 PolarHBondContact O-OD1 2.96Å |
| 140 | L | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63.7 | -51.1 | 170.8 | 166.8 | 64.2 | 0 | 0 | 0 | 111 | V86 K90 Y119 A122 M123 I136 R137 L138 L142 N143 F144 | V86-L140 HydrophobicContact CG1-CD2 3.92Å; K90-L140 HydrophobicContact CB-CB 4.47Å; K90-L140 HydrophobicContact CB-CD1 3.86Å; K90-L140 HydrophobicContact CD-CB 4.04Å; K90-L140 HydrophobicContact CG-CB 4.19Å; K90-L140 HydrophobicContact CG-CD1 3.9Å; Y119-L140 HydrophobicContact CD1-CD1 3.65Å; Y119-L140 HydrophobicContact CE1-CD1 4.34Å; A122-L140 VanDerWaalsContact C-CD2 3.46Å; A122-L140 HydrophobicContact CB-CD1 3.73Å; A122-L140 HydrophobicContact CB-CD2 3.5Å; A122-L140 VanDerWaalsContact CB-CD2 3.5Å; A122-L140 HydrophobicContact CB-CG 4.28Å; M123-L140 HydrophobicContact CG-CD2 3.98Å; M123-L140 HydrophobicContact CG-CG 4.21Å; M123-L140 HydrophobicContact SD-CD2 3.54Å; M123-L140 VanDerWaalsContact SD-CD2 3.54Å; M123-L140 HydrophobicContact SD-CG 3.6Å; M123-L140 VanDerWaalsContact SD-CG 3.6Å; I136-L140 VanDerWaalsContact O-CB 3.27Å; I136-L140 WeakPolarHBondContact O-CB 3.08Å; I136-L140 PolarHBondContact O-N 3.46Å; R137-L140 WeakPolarHBondContact O-CB 3.4Å; R137-L140 PolarHBondContact O-N 3.23Å; L138-L140 VanDerWaalsContact C-N 3.31Å; L138-L140 PolarHBondContact O-N 2.99Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 PolarHBondContact O-N 2.95Å; L140-N143 PolarHBondContact O-N 3.4Å; L140-F144 WeakPolarHBondContact O-CB 3.25Å; L140-F144 PolarHBondContact O-N 3.35Å |
| 141 | A | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M123 R137 L138 F144 S145 T165 | M123-A141 HydrophobicContact SD-CB 4.34Å; R137-A141 PolarHBondContact O-N 2.84Å; L138-A141 PolarHBondContact O-N 3.31Å; A141-F144 PolarHBondContact O-N 3.28Å; A141-S145 VanDerWaalsContact O-CB 3.31Å; A141-S145 WeakPolarHBondContact O-CB 3.35Å; A141-S145 PolarHBondContact O-N 3.2Å; A141-S145 PolarHBondContact O-OG 3.08Å; A141-T165 HydrophobicContact CB-CG2 3.51Å; A141-T165 WeakPolarHBondContact CB-OG1 3.43Å |
| 142 | L | 98.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 20 Ų | 20 | 8% | 0.084 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -56 | -56.6 | 171.8 | 176.9 | 63.2 | 0 | 0 | 0 | 110.8 | L138 L140 F144 S145 V146 I187 L190 L191 N194 | L138-L142 PolarHBondContact O-N 3.02Å; L140-L142 VanDerWaalsContact C-N 3.33Å; L140-L142 PolarHBondContact O-N 2.95Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 3.21Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-S145 PolarHBondContact O-OG 3.05Å; L142-V146 WeakPolarHBondContact O-CG2 3.37Å; L142-V146 PolarHBondContact O-N 3.1Å; L142-I187 HydrophobicContact CB-CG2 4.28Å; L142-I187 HydrophobicContact CD2-CG2 4.12Å; L142-L190 HydrophobicContact CD1-CB 4.27Å; L142-L190 HydrophobicContact CD2-CB 3.9Å; L142-L190 HydrophobicContact CD2-CD1 3.92Å; L142-L191 HydrophobicContact CB-CD2 3.94Å; L142-L191 HydrophobicContact CB-CG 4.25Å; L142-L191 HydrophobicContact CD1-CD2 3.86Å; L142-L191 HydrophobicContact CD1-CG 4.12Å; L142-N194 WeakPolarHBondContact CD1-ND2 3.47Å |
| 143 | N | 97.9 | Very high | 96.7 | Very high | 32 Ų | 32 | 25.2 Ų | 25.2 | 17% | 0.171 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.9 | -35.5 | -177.8 | -75.8 | 17.2 | 0 | 0 | 0 | 112.9 | K90 D94 Y119 G139 L140 V146 F147 | K90-N143 PolarHBondContact NZ-ND2 3.42Å; D94-N143 VanDerWaalsContact CG-ND2 3.28Å; D94-N143 WeakPolarHBondContact OD1-CB 3.5Å; D94-N143 PolarHBondContact OD1-ND2 3.46Å; D94-N143 PolarHBondContact OD2-ND2 3.36Å; D94-N143 VanDerWaalsContact OD2-ND2 3.09Å; Y119-N143 HydrophobicContact CE1-CB 4.23Å; G139-N143 PolarHBondContact O-N 3.39Å; G139-N143 VanDerWaalsContact O-N 3.12Å; G139-N143 PolarHBondContact O-OD1 2.96Å; L140-N143 PolarHBondContact O-N 3.4Å; N143-V146 PolarHBondContact O-N 3.34Å; N143-F147 PolarHBondContact O-N 3.2Å |
| 144 | F | 98.5 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.018 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -73.1 | -36.1 | 178.3 | -167.8 | -159.1 | 0 | 0 | 0 | 111.8 | Y119 M123 L140 A141 L142 V146 F147 H148 L161 | Y119-F144 VanDerWaalsContact CB-CE2 3.46Å; Y119-F144 HydrophobicContact CD1-CB 4.18Å; Y119-F144 HydrophobicContact CD1-CD2 4.47Å; Y119-F144 HydrophobicContact CD1-CG 4.44Å; Y119-F144 AromaticContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CD2 3.55Å; Y119-F144 HydrophobicContact CD2-CE2 4.01Å; Y119-F144 HydrophobicContact CD2-CG 4.28Å; Y119-F144 HydrophobicContact CE2-CD2 4.41Å; Y119-F144 HydrophobicContact CG-CB 4.1Å; Y119-F144 AromaticContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CD2 3.58Å; Y119-F144 HydrophobicContact CG-CE2 4.09Å; Y119-F144 AromaticContact CG-CG 3.89Å; Y119-F144 HydrophobicContact CG-CG 3.89Å; M123-F144 HydrophobicContact CG-CD1 3.62Å; M123-F144 HydrophobicContact CG-CE1 3.96Å; M123-F144 HydrophobicContact SD-CD1 4.45Å; L140-F144 WeakPolarHBondContact O-CB 3.25Å; L140-F144 PolarHBondContact O-N 3.35Å; A141-F144 PolarHBondContact O-N 3.28Å; L142-F144 VanDerWaalsContact C-N 3.3Å; L142-F144 PolarHBondContact O-N 3.21Å; F144-V146 VanDerWaalsContact C-N 3.35Å; F144-F147 HydrophobicContact CD2-CB 4.26Å; F144-F147 AromaticContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CG 4.33Å; F144-F147 AromaticContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CE1 4.07Å; F144-F147 WeakPolarHBondContact O-CB 3.43Å; F144-F147 PolarHBondContact O-N 2.94Å; F144-H148 AromaticContact CD2-CD2 3.74Å; F144-H148 AromaticContact CD2-NE2 3.65Å; F144-H148 AromaticContact CE1-NE2 3.76Å; F144-H148 AromaticContact CE2-CD2 3.78Å; F144-H148 AromaticContact CE2-CE1 3.94Å; F144-H148 AromaticContact CE2-NE2 3.21Å; F144-H148 WeakPolarHBondContact CE2-NE2 3.42Å; F144-H148 AromaticContact CZ-NE2 3.28Å; F144-H148 VanDerWaalsContact CZ-NE2 3.28Å; F144-H148 WeakPolarHBondContact CZ-NE2 3.4Å; F144-H148 PolarHBondContact O-CD2 3.45Å; F144-H148 PolarHBondContact O-N 3.26Å; F144-L161 HydrophobicContact CB-CD2 3.9Å; F144-L161 HydrophobicContact CD1-CD2 3.65Å; F144-L161 HydrophobicContact CE1-CD2 4.47Å; F144-L161 HydrophobicContact CG-CD2 3.89Å |
| 145 | S | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 171.9 | 71.5 | 0 | 0 | 0 | 0 | 111.6 | A141 L142 F147 H148 Y149 A158 | A141-S145 VanDerWaalsContact O-CB 3.31Å; A141-S145 WeakPolarHBondContact O-CB 3.35Å; A141-S145 PolarHBondContact O-N 3.2Å; A141-S145 PolarHBondContact O-OG 3.08Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-S145 PolarHBondContact O-OG 3.05Å; S145-F147 VanDerWaalsContact C-N 3.35Å; S145-F147 PolarHBondContact O-N 2.7Å; S145-H148 PolarHBondContact O-N 3.06Å; S145-Y149 PolarHBondContact O-N 3.19Å; S145-A158 VanDerWaalsContact O-CB 3.24Å; S145-A158 WeakPolarHBondContact O-CB 3.47Å |
| 146 | V | 98 | Very high | 97 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 13% | 0.133 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L142 N143 F144 H148 Y149 E150 W198 | L142-V146 WeakPolarHBondContact O-CG2 3.37Å; L142-V146 PolarHBondContact O-N 3.1Å; N143-V146 PolarHBondContact O-N 3.34Å; F144-V146 VanDerWaalsContact C-N 3.35Å; V146-H148 PolarHBondContact O-N 2.86Å; V146-Y149 PolarHBondContact O-N 3.43Å; V146-E150 HydrophobicContact CG1-CG 4.09Å; V146-E150 WeakPolarHBondContact O-CB 3.01Å; V146-E150 PolarHBondContact O-N 3.33Å; V146-W198 HydrophobicContact CG2-CH2 3.96Å; V146-W198 HydrophobicContact CG2-CZ2 4.02Å |
| 147 | F | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -57.3 | -46.3 | 172.9 | 168 | -95.9 | 0 | 0 | 0 | 112.3 | R97 I112 A115 R116 Y119 N143 F144 S145 Y149 I151 A152 | R97-F147 HydrophobicContact CB-CD2 4.4Å; R97-F147 HydrophobicContact CG-CD2 4.19Å; I112-F147 HydrophobicContact CG2-CE2 4.28Å; I112-F147 HydrophobicContact CG2-CZ 3.83Å; A115-F147 HydrophobicContact CB-CD2 4.05Å; A115-F147 HydrophobicContact CB-CE2 3.48Å; A115-F147 VanDerWaalsContact CB-CE2 3.48Å; A115-F147 HydrophobicContact CB-CZ 3.99Å; R116-F147 HydrophobicContact CB-CE1 3.94Å; R116-F147 HydrophobicContact CB-CZ 4Å; R116-F147 HydrophobicContact CG-CE1 4.43Å; Y119-F147 HydrophobicContact CD2-CB 4.29Å; Y119-F147 HydrophobicContact CD2-CD1 4.38Å; Y119-F147 HydrophobicContact CD2-CG 4.14Å; Y119-F147 HydrophobicContact CE2-CB 3.82Å; Y119-F147 HydrophobicContact CE2-CD2 4.14Å; Y119-F147 AromaticContact CE2-CG 3.94Å; Y119-F147 HydrophobicContact CE2-CG 3.94Å; N143-F147 PolarHBondContact O-N 3.2Å; F144-F147 HydrophobicContact CD2-CB 4.26Å; F144-F147 AromaticContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CD1 3.73Å; F144-F147 HydrophobicContact CD2-CG 4.33Å; F144-F147 AromaticContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CD1 3.69Å; F144-F147 HydrophobicContact CE2-CE1 4.07Å; F144-F147 WeakPolarHBondContact O-CB 3.43Å; F144-F147 PolarHBondContact O-N 2.94Å; S145-F147 VanDerWaalsContact C-N 3.35Å; S145-F147 PolarHBondContact O-N 2.7Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.46Å; F147-I151 HydrophobicContact CD2-CB 3.79Å; F147-I151 HydrophobicContact CD2-CG1 4.2Å; F147-I151 HydrophobicContact CD2-CG2 3.99Å; F147-I151 HydrophobicContact CE2-CB 3.97Å; F147-I151 HydrophobicContact CE2-CG2 3.68Å; F147-I151 WeakPolarHBondContact O-CA 3.34Å; F147-I151 WeakPolarHBondContact O-CB 3.47Å; F147-I151 PolarHBondContact O-N 3.45Å; F147-A152 HydrophobicContact CE1-CB 4.2Å; F147-A152 PolarHBondContact O-N 3.43Å |
| 148 | H | 97.8 | Very high | 97.2 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 6% | 0.056 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -60.7 | -42.2 | 177.9 | -78.7 | -73.9 | 0 | 0 | 0 | 111.5 | F144 S145 V146 N153 S154 E157 A158 | F144-H148 AromaticContact CD2-CD2 3.74Å; F144-H148 AromaticContact CD2-NE2 3.65Å; F144-H148 AromaticContact CE1-NE2 3.76Å; F144-H148 AromaticContact CE2-CD2 3.78Å; F144-H148 AromaticContact CE2-CE1 3.94Å; F144-H148 AromaticContact CE2-NE2 3.21Å; F144-H148 WeakPolarHBondContact CE2-NE2 3.42Å; F144-H148 AromaticContact CZ-NE2 3.28Å; F144-H148 VanDerWaalsContact CZ-NE2 3.28Å; F144-H148 WeakPolarHBondContact CZ-NE2 3.4Å; F144-H148 PolarHBondContact O-CD2 3.45Å; F144-H148 PolarHBondContact O-N 3.26Å; S145-H148 PolarHBondContact O-N 3.06Å; V146-H148 PolarHBondContact O-N 2.86Å; H148-N153 PolarHBondContact O-N 2.91Å; H148-N153 VanDerWaalsContact O-N 3.15Å; H148-S154 PolarHBondContact O-N 3.45Å; H148-E157 HydrophobicContact CB-CB 4.26Å; H148-E157 IonicContact CE1-OE2 2.76Å; H148-E157 PolarHBondContact CE1-OE2 2.98Å; H148-E157 IonicContact ND1-OE2 3.29Å; H148-E157 PolarHBondContact ND1-OE2 3.44Å; H148-A158 HydrophobicContact CB-CB 3.8Å |
| 149 | Y | 97.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 19% | 0.188 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -69.7 | -59 | -179.8 | -164.2 | -96.7 | 0 | 0 | 0 | 112.2 | S145 V146 F147 P155 A158 W198 D201 | S145-Y149 PolarHBondContact O-N 3.19Å; V146-Y149 PolarHBondContact O-N 3.43Å; F147-Y149 VanDerWaalsContact C-N 3.3Å; F147-Y149 PolarHBondContact O-N 3.46Å; Y149-P155 HydrophobicContact CD2-CB 3.78Å; Y149-P155 HydrophobicContact CE2-CB 3.74Å; Y149-A158 HydrophobicContact CD2-CB 4.21Å; Y149-W198 AromaticContact CD1-CD1 3.78Å; Y149-W198 AromaticContact CD1-CE2 3.88Å; Y149-W198 HydrophobicContact CD1-CG 4.44Å; Y149-W198 HydrophobicContact CD1-CZ2 4.42Å; Y149-W198 AromaticContact CD1-NE1 3.37Å; Y149-W198 HydrophobicContact CD2-CB 4.04Å; Y149-W198 AromaticContact CD2-CD1 3.63Å; Y149-W198 AromaticContact CD2-CD2 3.67Å; Y149-W198 HydrophobicContact CD2-CD2 3.67Å; Y149-W198 AromaticContact CD2-CE2 3.85Å; Y149-W198 HydrophobicContact CD2-CE3 4.34Å; Y149-W198 AromaticContact CD2-CG 3.52Å; Y149-W198 HydrophobicContact CD2-CG 3.52Å; Y149-W198 AromaticContact CD2-NE1 3.8Å; Y149-W198 AromaticContact CE1-CD1 3.42Å; Y149-W198 VanDerWaalsContact CE1-CD1 3.42Å; Y149-W198 HydrophobicContact CE1-CG 4.28Å; Y149-W198 AromaticContact CE1-NE1 3.44Å; Y149-W198 HydrophobicContact CE2-CB 3.57Å; Y149-W198 AromaticContact CE2-CD1 3.28Å; Y149-W198 HydrophobicContact CE2-CD2 4.03Å; Y149-W198 AromaticContact CE2-CG 3.34Å; Y149-W198 HydrophobicContact CE2-CG 3.34Å; Y149-W198 AromaticContact CE2-NE1 3.89Å; Y149-W198 AromaticContact CG-CD1 3.86Å; Y149-W198 AromaticContact CG-CD2 3.95Å; Y149-W198 HydrophobicContact CG-CD2 3.95Å; Y149-W198 AromaticContact CG-CE2 3.61Å; Y149-W198 HydrophobicContact CG-CG 4.09Å; Y149-W198 HydrophobicContact CG-CZ2 4.07Å; Y149-W198 AromaticContact CG-NE1 3.55Å; Y149-W198 AromaticContact CZ-CD1 3.15Å; Y149-W198 AromaticContact CZ-CG 3.74Å; Y149-W198 AromaticContact CZ-NE1 3.69Å; Y149-D201 PolarHBondContact OH-OD2 2.87Å |
| 150 | E | 96.6 | Very high | 97.2 | Very high | 108 Ų | 108 | 39 Ų | 39 | 51% | 0.505 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -84.3 | -30.8 | -167.2 | -63.6 | -177.2 | 176.9 | 0 | 0 | 113.9 | V146 | V146-E150 HydrophobicContact CG1-CG 4.09Å; V146-E150 WeakPolarHBondContact O-CB 3.01Å; V146-E150 PolarHBondContact O-N 3.33Å |
| 151 | I | 96.2 | Very high | 97.2 | Very high | 14 Ų | 14 | 40.2 Ų | 40.2 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -109.2 | -46.1 | -172 | -57.1 | -51.6 | 0 | 0 | 0 | 112.1 | R97 A100 E101 I112 F147 N153 | R97-I151 HydrophobicContact CG-CG1 3.76Å; A100-I151 HydrophobicContact CB-CG2 3.71Å; E101-I151 HydrophobicContact CG-CD1 3.67Å; I112-I151 HydrophobicContact CD1-CG2 3.91Å; I112-I151 HydrophobicContact CG1-CG2 3.65Å; F147-I151 HydrophobicContact CD2-CB 3.79Å; F147-I151 HydrophobicContact CD2-CG1 4.2Å; F147-I151 HydrophobicContact CD2-CG2 3.99Å; F147-I151 HydrophobicContact CE2-CB 3.97Å; F147-I151 HydrophobicContact CE2-CG2 3.68Å; F147-I151 WeakPolarHBondContact O-CA 3.34Å; F147-I151 WeakPolarHBondContact O-CB 3.47Å; F147-I151 PolarHBondContact O-N 3.45Å; I151-N153 VanDerWaalsContact C-N 3.33Å |
| 152 | A | 94.8 | Very high | 97.2 | Very high | 20 Ų | 20 | 40.2 Ų | 40.2 | 17% | 0.165 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -80.8 | -15 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113 | F147 S154 | F147-A152 HydrophobicContact CE1-CB 4.2Å; F147-A152 PolarHBondContact O-N 3.43Å; A152-S154 PolarHBondContact O-N 3.3Å |
| 153 | N | 94.4 | Very high | 97.2 | Very high | 128 Ų | 128 | 45 Ų | 45 | 68% | 0.684 | 23% | 0.233 | S | C | * | . | trans | 53 | 40.2 | -172.9 | -56.8 | -68.8 | 0 | 0 | 0 | 112.4 | H148 I151 P155 | H148-N153 PolarHBondContact O-N 2.91Å; H148-N153 VanDerWaalsContact O-N 3.15Å; I151-N153 VanDerWaalsContact C-N 3.33Å; N153-P155 VanDerWaalsContact C-CD 3.48Å; N153-P155 WeakPolarHBondContact O-CD 3.42Å | ||
| 154 | S | 95.9 | Very high | 97.2 | Very high | 27 Ų | 27 | 46.3 Ų | 46.3 | 19% | 0.189 | 24% | 0.242 | C | C | . | . | trans | -115.2 | 74.9 | 176.8 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | H148 A152 E156 E157 A158 | H148-S154 PolarHBondContact O-N 3.45Å; A152-S154 PolarHBondContact O-N 3.3Å; S154-E156 VanDerWaalsContact C-N 3.27Å; S154-E156 PolarHBondContact O-N 3.13Å; S154-E157 VanDerWaalsContact CB-OE1 3.3Å; S154-E157 WeakPolarHBondContact CB-OE1 3.31Å; S154-E157 PolarHBondContact O-N 3.11Å; S154-E157 PolarHBondContact OG-OE1 3.29Å; S154-A158 PolarHBondContact O-N 2.84Å | ||
| 155 | P | 96.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 46.5 Ų | 46.5 | 25% | 0.253 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.3 | -30.8 | -175.3 | 28.7 | -36.8 | 0 | 0 | 0 | 112.5 | Y149 N153 A158 I159 | Y149-P155 HydrophobicContact CD2-CB 3.78Å; Y149-P155 HydrophobicContact CE2-CB 3.74Å; N153-P155 VanDerWaalsContact C-CD 3.48Å; N153-P155 WeakPolarHBondContact O-CD 3.42Å; P155-A158 WeakPolarHBondContact O-CB 3.45Å; P155-A158 PolarHBondContact O-N 3.28Å; P155-I159 WeakPolarHBondContact O-CB 3.34Å; P155-I159 VanDerWaalsContact O-CG1 3.25Å; P155-I159 WeakPolarHBondContact O-CG1 3.33Å; P155-I159 PolarHBondContact O-N 3.24Å |
| 156 | E | 96.2 | Very high | 97.1 | Very high | 159 Ų | 159 | 48.4 Ų | 48.4 | 74% | 0.743 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60.3 | -46.2 | 173.4 | -64.5 | -178.4 | -174.8 | 0 | 0 | 112.4 | S154 S160 | S154-E156 VanDerWaalsContact C-N 3.27Å; S154-E156 PolarHBondContact O-N 3.13Å; E156-S160 WeakPolarHBondContact O-CB 3.37Å; E156-S160 PolarHBondContact O-N 2.96Å |
| 157 | E | 96.8 | Very high | 97 | Very high | 89 Ų | 89 | 51.4 Ų | 51.4 | 42% | 0.416 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 176.7 | -68.5 | 176.9 | -122.3 | 0 | 0 | 111 | H148 S154 S160 L161 | H148-E157 HydrophobicContact CB-CB 4.26Å; H148-E157 IonicContact CE1-OE2 2.76Å; H148-E157 PolarHBondContact CE1-OE2 2.98Å; H148-E157 IonicContact ND1-OE2 3.29Å; H148-E157 PolarHBondContact ND1-OE2 3.44Å; S154-E157 VanDerWaalsContact CB-OE1 3.3Å; S154-E157 WeakPolarHBondContact CB-OE1 3.31Å; S154-E157 PolarHBondContact O-N 3.11Å; S154-E157 PolarHBondContact OG-OE1 3.29Å; E157-S160 PolarHBondContact O-N 3.4Å; E157-L161 WeakPolarHBondContact O-CB 3.4Å; E157-L161 PolarHBondContact O-N 3.26Å |
| 158 | A | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.4 | -50.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S145 H148 Y149 S154 P155 L161 A162 W198 | S145-A158 VanDerWaalsContact O-CB 3.24Å; S145-A158 WeakPolarHBondContact O-CB 3.47Å; H148-A158 HydrophobicContact CB-CB 3.8Å; Y149-A158 HydrophobicContact CD2-CB 4.21Å; S154-A158 PolarHBondContact O-N 2.84Å; P155-A158 WeakPolarHBondContact O-CB 3.45Å; P155-A158 PolarHBondContact O-N 3.28Å; A158-L161 PolarHBondContact O-N 3.48Å; A158-A162 WeakPolarHBondContact O-CB 3.42Å; A158-A162 PolarHBondContact O-N 2.93Å; A158-W198 HydrophobicContact CB-CE3 4.13Å; A158-W198 HydrophobicContact CB-CZ3 3.99Å |
| 159 | I | 97.8 | Very high | 96.8 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 179.1 | -68.4 | 165.9 | 0 | 0 | 0 | 110.3 | P155 L161 A162 K163 L195 W198 T199 | P155-I159 WeakPolarHBondContact O-CB 3.34Å; P155-I159 VanDerWaalsContact O-CG1 3.25Å; P155-I159 WeakPolarHBondContact O-CG1 3.33Å; P155-I159 PolarHBondContact O-N 3.24Å; I159-L161 PolarHBondContact O-N 3.21Å; I159-A162 PolarHBondContact O-N 2.86Å; I159-K163 WeakPolarHBondContact O-CB 3.48Å; I159-K163 PolarHBondContact O-N 3.13Å; I159-L195 HydrophobicContact CB-CD2 4.44Å; I159-L195 HydrophobicContact CG2-CD2 3.99Å; I159-L195 WeakPolarHBondContact O-CD2 3.16Å; I159-W198 HydrophobicContact CD1-CB 4.12Å; I159-W198 HydrophobicContact CG1-CB 3.9Å; I159-W198 HydrophobicContact CG1-CE3 4.45Å; I159-T199 HydrophobicContact CD1-CG2 4.08Å; I159-T199 HydrophobicContact CG1-CG2 4.39Å; I159-T199 HydrophobicContact CG2-CG2 4.06Å |
| 160 | S | 97.7 | Very high | 96.7 | Very high | 71 Ų | 71 | 55.7 Ų | 55.7 | 50% | 0.497 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 178.4 | -178.5 | 0 | 0 | 0 | 0 | 112 | E156 E157 T164 | E156-S160 WeakPolarHBondContact O-CB 3.37Å; E156-S160 PolarHBondContact O-N 2.96Å; E157-S160 PolarHBondContact O-N 3.4Å; S160-T164 VanDerWaalsContact O-CB 3.3Å; S160-T164 WeakPolarHBondContact O-CB 3.32Å; S160-T164 PolarHBondContact O-N 3.49Å; S160-T164 PolarHBondContact O-OG1 3.23Å |
| 161 | L | 98 | Very high | 96.7 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.3 | -48.2 | 179.2 | 178 | 59.2 | 0 | 0 | 0 | 112 | M123 F144 E157 A158 I159 K163 T165 | M123-L161 HydrophobicContact CE-CD1 3.93Å; F144-L161 HydrophobicContact CB-CD2 3.9Å; F144-L161 HydrophobicContact CD1-CD2 3.65Å; F144-L161 HydrophobicContact CE1-CD2 4.47Å; F144-L161 HydrophobicContact CG-CD2 3.89Å; E157-L161 WeakPolarHBondContact O-CB 3.4Å; E157-L161 PolarHBondContact O-N 3.26Å; A158-L161 PolarHBondContact O-N 3.48Å; I159-L161 PolarHBondContact O-N 3.21Å; L161-K163 PolarHBondContact O-N 2.94Å; L161-T165 WeakPolarHBondContact O-CB 3.26Å; L161-T165 PolarHBondContact O-N 3.34Å; L161-T165 PolarHBondContact O-OG1 3.36Å |
| 162 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -42 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A158 I159 F166 L191 L195 W198 | A158-A162 WeakPolarHBondContact O-CB 3.42Å; A158-A162 PolarHBondContact O-N 2.93Å; I159-A162 PolarHBondContact O-N 2.86Å; A162-F166 WeakPolarHBondContact O-CB 3.22Å; A162-F166 PolarHBondContact O-N 3.46Å; A162-L191 HydrophobicContact CB-CD2 3.95Å; A162-L195 HydrophobicContact CB-CD1 4.3Å; A162-L195 HydrophobicContact CB-CD2 3.72Å; A162-L195 HydrophobicContact CB-CG 3.82Å; A162-W198 HydrophobicContact CB-CZ3 4.25Å |
| 163 | K | 97.8 | Very high | 96.3 | Very high | 118 Ų | 118 | 57 Ų | 57 | 51% | 0.513 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -50.9 | 178.1 | -177.4 | 175.2 | -178.9 | 176.4 | 0 | 111.7 | I159 L161 T165 F166 D167 L195 | I159-K163 WeakPolarHBondContact O-CB 3.48Å; I159-K163 PolarHBondContact O-N 3.13Å; L161-K163 PolarHBondContact O-N 2.94Å; K163-T165 VanDerWaalsContact C-N 3.28Å; K163-T165 PolarHBondContact O-N 2.96Å; K163-F166 PolarHBondContact O-N 3.13Å; K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.86Å; K163-L195 HydrophobicContact CB-CD1 4.28Å; K163-L195 HydrophobicContact CB-CD2 4Å |
| 164 | T | 97.6 | Very high | 96 | Very high | 59 Ų | 59 | 58.4 Ų | 58.4 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 178.8 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | S160 D167 E168 | S160-T164 VanDerWaalsContact O-CB 3.3Å; S160-T164 WeakPolarHBondContact O-CB 3.32Å; S160-T164 PolarHBondContact O-N 3.49Å; S160-T164 PolarHBondContact O-OG1 3.23Å; T164-D167 PolarHBondContact O-N 3.31Å; T164-E168 HydrophobicContact CG2-CG 4.37Å; T164-E168 WeakPolarHBondContact CG2-OE1 3.35Å; T164-E168 WeakPolarHBondContact O-CB 3.46Å; T164-E168 VanDerWaalsContact O-CG 3.26Å; T164-E168 WeakPolarHBondContact O-CG 3.42Å; T164-E168 PolarHBondContact O-N 3.06Å |
| 165 | T | 97.3 | Very high | 95.5 | Very high | 7 Ų | 7 | 60.7 Ų | 60.7 | 4% | 0.043 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63 | -45.6 | 178.6 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | L138 A141 L161 K163 A169 L191 | L138-T165 HydrophobicContact CD2-CG2 3.77Å; A141-T165 HydrophobicContact CB-CG2 3.51Å; A141-T165 WeakPolarHBondContact CB-OG1 3.43Å; L161-T165 WeakPolarHBondContact O-CB 3.26Å; L161-T165 PolarHBondContact O-N 3.34Å; L161-T165 PolarHBondContact O-OG1 3.36Å; K163-T165 VanDerWaalsContact C-N 3.28Å; K163-T165 PolarHBondContact O-N 2.96Å; T165-A169 WeakPolarHBondContact O-CB 3.48Å; T165-A169 PolarHBondContact O-N 2.98Å; T165-L191 HydrophobicContact CG2-CD1 3.84Å |
| 166 | F | 97.2 | Very high | 95 | Very high | 40 Ų | 40 | 59.9 Ų | 59.9 | 18% | 0.175 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 178.8 | -176.2 | -91.3 | 0 | 0 | 0 | 111.3 | A162 K163 A169 M170 M188 L191 R192 L195 | A162-F166 WeakPolarHBondContact O-CB 3.22Å; A162-F166 PolarHBondContact O-N 3.46Å; K163-F166 PolarHBondContact O-N 3.13Å; F166-A169 PolarHBondContact O-N 2.97Å; F166-M170 HydrophobicContact CD1-CG 3.84Å; F166-M170 HydrophobicContact CE1-CG 3.44Å; F166-M170 VanDerWaalsContact CE1-CG 3.44Å; F166-M170 HydrophobicContact CE1-SD 4.26Å; F166-M170 HydrophobicContact CE2-CG 4.31Å; F166-M170 HydrophobicContact CG-CG 4.42Å; F166-M170 HydrophobicContact CZ-CG 3.7Å; F166-M170 HydrophobicContact CZ-SD 3.96Å; F166-M170 VanDerWaalsContact O-CB 3.3Å; F166-M170 WeakPolarHBondContact O-CB 3.47Å; F166-M170 VanDerWaalsContact O-CG 3.26Å; F166-M170 WeakPolarHBondContact O-CG 3.3Å; F166-M170 PolarHBondContact O-N 2.97Å; F166-M188 HydrophobicContact CD2-CB 4.27Å; F166-M188 WeakPolarHBondContact CD2-O 3.07Å; F166-M188 HydrophobicContact CE2-CB 4.15Å; F166-M188 WeakPolarHBondContact CE2-O 3.48Å; F166-L191 HydrophobicContact CD2-CB 4.47Å; F166-R192 HydrophobicContact CD2-CB 4.35Å; F166-R192 HydrophobicContact CE2-CB 3.94Å; F166-R192 HydrophobicContact CZ-CB 4.45Å; F166-L195 HydrophobicContact CB-CD1 4.43Å |
| 167 | D | 97.3 | Very high | 94.5 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | -179.6 | -69 | -17.6 | 0 | 0 | 0 | 111.6 | K163 T164 M170 A171 | K163-D167 WeakPolarHBondContact O-CB 3.32Å; K163-D167 VanDerWaalsContact O-CG 3.29Å; K163-D167 PolarHBondContact O-N 2.86Å; T164-D167 PolarHBondContact O-N 3.31Å; D167-M170 PolarHBondContact O-N 3.27Å; D167-A171 PolarHBondContact O-N 3.2Å |
| 168 | E | 96.4 | Very high | 94 | Very high | 64 Ų | 64 | 59.7 Ų | 59.7 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 174.5 | -73.9 | 177.1 | -176.1 | 0 | 0 | 111.6 | P132 R137 T164 A171 D172 | P132-E168 HydrophobicContact CB-CB 3.88Å; P132-E168 HydrophobicContact CG-CB 4.27Å; R137-E168 IonicContact CZ-OE2 3.99Å; R137-E168 IonicContact NH2-OE2 3.81Å; R137-E168 PolarHBondContact NH2-OE2 2.8Å; T164-E168 HydrophobicContact CG2-CG 4.37Å; T164-E168 WeakPolarHBondContact CG2-OE1 3.35Å; T164-E168 WeakPolarHBondContact O-CB 3.46Å; T164-E168 VanDerWaalsContact O-CG 3.26Å; T164-E168 WeakPolarHBondContact O-CG 3.42Å; T164-E168 PolarHBondContact O-N 3.06Å; E168-A171 PolarHBondContact O-N 3.04Å; E168-D172 PolarHBondContact O-N 3.32Å |
| 169 | A | 95.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.7 | -35.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | T133 L138 T165 F166 D172 L173 M188 | T133-A169 WeakPolarHBondContact CG2-O 3.45Å; L138-A169 HydrophobicContact CD2-CB 3.74Å; T165-A169 WeakPolarHBondContact O-CB 3.48Å; T165-A169 PolarHBondContact O-N 2.98Å; F166-A169 PolarHBondContact O-N 2.97Å; A169-D172 CarbonylContact O-C 3.54Å; A169-D172 PolarHBondContact O-N 3.25Å; A169-L173 PolarHBondContact O-N 2.89Å; A169-M188 HydrophobicContact CB-CE 3.89Å; A169-M188 HydrophobicContact CB-CG 4.34Å; A169-M188 HydrophobicContact CB-SD 4.07Å |
| 170 | M | 94.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 66.7 Ų | 66.7 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 174.5 | -81.5 | -60.1 | -50.4 | 0 | 0 | 112.1 | F166 D167 D172 L173 M188 | F166-M170 HydrophobicContact CD1-CG 3.84Å; F166-M170 HydrophobicContact CE1-CG 3.44Å; F166-M170 VanDerWaalsContact CE1-CG 3.44Å; F166-M170 HydrophobicContact CE1-SD 4.26Å; F166-M170 HydrophobicContact CE2-CG 4.31Å; F166-M170 HydrophobicContact CG-CG 4.42Å; F166-M170 HydrophobicContact CZ-CG 3.7Å; F166-M170 HydrophobicContact CZ-SD 3.96Å; F166-M170 VanDerWaalsContact O-CB 3.3Å; F166-M170 WeakPolarHBondContact O-CB 3.47Å; F166-M170 VanDerWaalsContact O-CG 3.26Å; F166-M170 WeakPolarHBondContact O-CG 3.3Å; F166-M170 PolarHBondContact O-N 2.97Å; D167-M170 PolarHBondContact O-N 3.27Å; M170-D172 VanDerWaalsContact C-N 3.29Å; M170-D172 PolarHBondContact O-N 2.98Å; M170-L173 HydrophobicContact CE-CD2 4.3Å; M170-L173 WeakPolarHBondContact O-CB 3.43Å; M170-L173 PolarHBondContact O-N 3.42Å; M170-L173 HydrophobicContact SD-CD2 4.42Å; M170-M188 HydrophobicContact CB-CE 4.43Å; M170-M188 HydrophobicContact CG-CE 3.66Å; M170-M188 HydrophobicContact SD-CE 3.37Å; M170-M188 WeakPolarHBondContact SD-CE 3.36Å |
| 171 | A | 95.3 | Very high | 92.8 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 55% | 0.545 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | D167 E168 H174 | D167-A171 PolarHBondContact O-N 3.2Å; E168-A171 PolarHBondContact O-N 3.04Å; A171-H174 PolarHBondContact O-ND1 3.45Å |
| 172 | D | 93.2 | Very high | 92.5 | Very high | 56 Ų | 56 | 75.6 Ų | 75.6 | 30% | 0.299 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 12.1 | -176.9 | -73.5 | -2.7 | 0 | 0 | 0 | 113.6 | P132 T133 E168 A169 M170 H174 T175 | P132-D172 WeakPolarHBondContact CD-OD2 3.35Å; P132-D172 WeakPolarHBondContact CG-OD2 3.48Å; T133-D172 HydrophobicContact CG2-CB 3.97Å; T133-D172 WeakPolarHBondContact CG2-O 3.48Å; E168-D172 PolarHBondContact O-N 3.32Å; A169-D172 CarbonylContact O-C 3.54Å; A169-D172 PolarHBondContact O-N 3.25Å; M170-D172 VanDerWaalsContact C-N 3.29Å; M170-D172 PolarHBondContact O-N 2.98Å; D172-H174 PolarHBondContact O-N 2.95Å; D172-T175 HydrophobicContact CB-CG2 4.28Å; D172-T175 WeakPolarHBondContact O-CB 3.37Å; D172-T175 WeakPolarHBondContact O-CG2 3.38Å; D172-T175 PolarHBondContact O-N 3.45Å; D172-T175 PolarHBondContact O-OG1 2.96Å |
| 173 | L | 90.3 | Very high | 92.3 | Very high | 48 Ų | 48 | 79.9 Ų | 79.9 | 25% | 0.251 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -56.9 | -28.6 | -174.9 | -172 | 65.4 | 0 | 0 | 0 | 113.4 | A169 M170 T175 L176 T185 M188 | A169-L173 PolarHBondContact O-N 2.89Å; M170-L173 HydrophobicContact CE-CD2 4.3Å; M170-L173 WeakPolarHBondContact O-CB 3.43Å; M170-L173 PolarHBondContact O-N 3.42Å; M170-L173 HydrophobicContact SD-CD2 4.42Å; L173-T175 PolarHBondContact O-N 3.18Å; L173-L176 HydrophobicContact CD1-CD2 3.96Å; L173-L176 VanDerWaalsContact O-CB 3.28Å; L173-L176 WeakPolarHBondContact O-CB 3.33Å; L173-L176 PolarHBondContact O-N 3.36Å; L173-T185 HydrophobicContact CD1-CG2 4.45Å; L173-M188 HydrophobicContact CD1-CE 4.27Å; L173-M188 HydrophobicContact CD1-SD 4.14Å |
| 174 | H | 89.2 | Confident | 92.2 | Very high | 158 Ų | 158 | 74.2 Ų | 74.2 | 73% | 0.731 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -68.3 | -14.4 | 176.7 | 67.3 | -81.1 | 0 | 0 | 0 | 114.2 | A171 D172 | A171-H174 PolarHBondContact O-ND1 3.45Å; D172-H174 PolarHBondContact O-N 2.95Å |
| 175 | T | 85.4 | Confident | 92.1 | Very high | 74 Ų | 74 | 73.6 Ų | 73.6 | 45% | 0.454 | 38% | 0.38 | S | S | . | . | G | 310 helix | trans | -86.7 | -8.7 | 178.6 | 68.2 | 0 | 0 | 0 | 0 | 113.5 | T133 D172 L173 S177 | T133-T175 PolarHBondContact OG1-OG1 3.38Å; D172-T175 HydrophobicContact CB-CG2 4.28Å; D172-T175 WeakPolarHBondContact O-CB 3.37Å; D172-T175 WeakPolarHBondContact O-CG2 3.38Å; D172-T175 PolarHBondContact O-N 3.45Å; D172-T175 PolarHBondContact O-OG1 2.96Å; L173-T175 PolarHBondContact O-N 3.18Å; T175-S177 PolarHBondContact O-N 2.86Å |
| 176 | L | 86.2 | Confident | 92.1 | Very high | 22 Ų | 22 | 78.2 Ų | 78.2 | 12% | 0.115 | 40% | 0.404 | C | S | . | . | trans | -72.6 | 127.7 | -168.8 | -166.7 | 66 | 0 | 0 | 0 | 111 | L173 S180 Y181 S184 T185 | L173-L176 HydrophobicContact CD1-CD2 3.96Å; L173-L176 VanDerWaalsContact O-CB 3.28Å; L173-L176 WeakPolarHBondContact O-CB 3.33Å; L173-L176 PolarHBondContact O-N 3.36Å; L176-S180 WeakPolarHBondContact CD1-OG 3.48Å; L176-Y181 HydrophobicContact CB-CD2 4.41Å; L176-Y181 HydrophobicContact CD2-CD2 3.5Å; L176-Y181 VanDerWaalsContact CD2-CD2 3.5Å; L176-Y181 HydrophobicContact CD2-CE2 4.08Å; L176-Y181 HydrophobicContact CD2-CG 4.02Å; L176-Y181 HydrophobicContact CG-CD2 4.09Å; L176-S184 VanDerWaalsContact CD1-OG 3.3Å; L176-S184 WeakPolarHBondContact CD1-OG 3.39Å; L176-T185 HydrophobicContact CD2-CG2 4.35Å | ||
| 177 | S | 84.1 | Confident | 92.1 | Very high | 60 Ų | 60 | 77.6 Ų | 77.6 | 42% | 0.42 | 40% | 0.403 | S | S | . | . | trans | -72.1 | 153.1 | 176.8 | 67 | 0 | 0 | 0 | 0 | 111.3 | T175 D179 S180 Y181 | T175-S177 PolarHBondContact O-N 2.86Å; S177-D179 PolarHBondContact O-N 3.01Å; S177-S180 PolarHBondContact O-N 3.3Å; S177-S180 VanDerWaalsContact O-N 3.14Å; S177-S180 PolarHBondContact O-OG 3.09Å; S177-S180 PolarHBondContact OG-N 2.95Å; S177-S180 PolarHBondContact OG-OG 3.26Å; S177-Y181 WeakPolarHBondContact O-CB 3.5Å; S177-Y181 PolarHBondContact O-N 3.43Å | ||
| 178 | E | 86.5 | Confident | 92 | Very high | 185 Ų | 185 | 74 Ų | 74 | 86% | 0.864 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -55.6 | -38.6 | 176.1 | -69.1 | -170.4 | 165.6 | 0 | 0 | 112 | S180 Y181 | E178-S180 VanDerWaalsContact C-N 3.33Å; E178-S180 PolarHBondContact O-N 3.04Å; E178-Y181 PolarHBondContact O-N 2.96Å |
| 179 | D | 87.4 | Confident | 92.1 | Very high | 155 Ų | 155 | 73.9 Ų | 73.9 | 83% | 0.829 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.4 | -32.9 | -179.2 | -64.9 | -28.2 | 0 | 0 | 0 | 113.2 | S177 | S177-D179 PolarHBondContact O-N 3.01Å |
| 180 | S | 89.7 | Confident | 92.2 | Very high | 22 Ų | 22 | 77.5 Ų | 77.5 | 15% | 0.154 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -101.5 | -4.7 | -178.2 | 63.3 | 0 | 0 | 0 | 0 | 113.5 | L176 S177 E178 K182 D183 S184 | L176-S180 WeakPolarHBondContact CD1-OG 3.48Å; S177-S180 PolarHBondContact O-N 3.3Å; S177-S180 VanDerWaalsContact O-N 3.14Å; S177-S180 PolarHBondContact O-OG 3.09Å; S177-S180 PolarHBondContact OG-N 2.95Å; S177-S180 PolarHBondContact OG-OG 3.26Å; E178-S180 VanDerWaalsContact C-N 3.33Å; E178-S180 PolarHBondContact O-N 3.04Å; S180-K182 PolarHBondContact O-N 2.92Å; S180-D183 PolarHBondContact O-N 3.1Å; S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.04Å; S180-S184 PolarHBondContact O-OG 3.02Å |
| 181 | Y | 90.9 | Very high | 92.3 | Very high | 123 Ų | 123 | 73.4 Ų | 73.4 | 48% | 0.482 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -58.9 | -50.4 | -171.7 | -173.3 | -88.5 | 0 | 0 | 0 | 112.3 | L176 S177 E178 T185 | L176-Y181 HydrophobicContact CB-CD2 4.41Å; L176-Y181 HydrophobicContact CD2-CD2 3.5Å; L176-Y181 VanDerWaalsContact CD2-CD2 3.5Å; L176-Y181 HydrophobicContact CD2-CE2 4.08Å; L176-Y181 HydrophobicContact CD2-CG 4.02Å; L176-Y181 HydrophobicContact CG-CD2 4.09Å; S177-Y181 WeakPolarHBondContact O-CB 3.5Å; S177-Y181 PolarHBondContact O-N 3.43Å; E178-Y181 PolarHBondContact O-N 2.96Å; Y181-T185 HydrophobicContact CD1-CG2 4.2Å; Y181-T185 HydrophobicContact CE1-CG2 3.84Å; Y181-T185 HydrophobicContact CE2-CG2 4.25Å; Y181-T185 WeakPolarHBondContact O-CB 3.45Å; Y181-T185 VanDerWaalsContact O-CG2 3.28Å; Y181-T185 WeakPolarHBondContact O-CG2 3.49Å; Y181-T185 PolarHBondContact O-N 3.44Å; Y181-T185 PolarHBondContact O-OG1 3.48Å |
| 182 | K | 93 | Very high | 92.4 | Very high | 160 Ų | 160 | 76 Ų | 76 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.1 | -43.6 | -176.3 | -173.7 | -178.9 | 177 | -174.1 | 0 | 112.1 | S180 T185 L186 | S180-K182 PolarHBondContact O-N 2.92Å; K182-T185 PolarHBondContact O-OG1 3.05Å; K182-L186 WeakPolarHBondContact O-CB 3.49Å; K182-L186 PolarHBondContact O-N 3.34Å; K182-L186 VanDerWaalsContact O-N 3.1Å |
| 183 | D | 94 | Very high | 92.6 | Very high | 89 Ų | 89 | 76.8 Ų | 76.8 | 48% | 0.476 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.9 | -44.2 | -176.9 | -68.9 | -14 | 0 | 0 | 0 | 111 | P135 S180 L186 I187 | P135-D183 HydrophobicContact CB-CB 4.29Å; P135-D183 HydrophobicContact CG-CB 4.23Å; S180-D183 PolarHBondContact O-N 3.1Å; D183-L186 PolarHBondContact O-N 3.25Å; D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.44Å; D183-I187 PolarHBondContact O-N 3.45Å; D183-I187 VanDerWaalsContact O-N 3.07Å |
| 184 | S | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 76.3 Ų | 76.3 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66 | -45.5 | -179.6 | -50.5 | 0 | 0 | 0 | 0 | 111.7 | T133 P135 L176 S180 L186 I187 M188 | T133-S184 WeakPolarHBondContact O-CB 3.33Å; T133-S184 PolarHBondContact O-OG 3.08Å; P135-S184 WeakPolarHBondContact CD-OG 3.49Å; P135-S184 WeakPolarHBondContact CG-OG 3.37Å; L176-S184 VanDerWaalsContact CD1-OG 3.3Å; L176-S184 WeakPolarHBondContact CD1-OG 3.39Å; S180-S184 WeakPolarHBondContact O-CB 3.41Å; S180-S184 PolarHBondContact O-N 3.04Å; S180-S184 PolarHBondContact O-OG 3.02Å; S184-L186 VanDerWaalsContact C-N 3.33Å; S184-L186 PolarHBondContact O-N 2.87Å; S184-I187 PolarHBondContact O-N 3.21Å; S184-M188 VanDerWaalsContact O-CG 3.24Å; S184-M188 WeakPolarHBondContact O-CG 3.39Å; S184-M188 PolarHBondContact O-N 2.88Å |
| 185 | T | 95.1 | Very high | 93.3 | Very high | 45 Ų | 45 | 69.9 Ų | 69.9 | 28% | 0.276 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.8 | -36.1 | 178.4 | 52.1 | 0 | 0 | 0 | 0 | 112.6 | L173 L176 Y181 K182 M188 Q189 | L173-T185 HydrophobicContact CD1-CG2 4.45Å; L176-T185 HydrophobicContact CD2-CG2 4.35Å; Y181-T185 HydrophobicContact CD1-CG2 4.2Å; Y181-T185 HydrophobicContact CE1-CG2 3.84Å; Y181-T185 HydrophobicContact CE2-CG2 4.25Å; Y181-T185 WeakPolarHBondContact O-CB 3.45Å; Y181-T185 VanDerWaalsContact O-CG2 3.28Å; Y181-T185 WeakPolarHBondContact O-CG2 3.49Å; Y181-T185 PolarHBondContact O-N 3.44Å; Y181-T185 PolarHBondContact O-OG1 3.48Å; K182-T185 PolarHBondContact O-OG1 3.05Å; T185-M188 PolarHBondContact O-N 3.25Å; T185-Q189 WeakPolarHBondContact O-CB 3.18Å; T185-Q189 PolarHBondContact O-N 3.07Å |
| 186 | L | 96.4 | Very high | 93.8 | Very high | 104 Ų | 104 | 70.6 Ų | 70.6 | 55% | 0.545 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.2 | -44.4 | 172.7 | -179.8 | 63.3 | 0 | 0 | 0 | 111.5 | K182 D183 S184 Q189 L190 | K182-L186 WeakPolarHBondContact O-CB 3.49Å; K182-L186 PolarHBondContact O-N 3.34Å; K182-L186 VanDerWaalsContact O-N 3.1Å; D183-L186 PolarHBondContact O-N 3.25Å; S184-L186 VanDerWaalsContact C-N 3.33Å; S184-L186 PolarHBondContact O-N 2.87Å; L186-Q189 WeakPolarHBondContact O-CB 3.44Å; L186-Q189 PolarHBondContact O-N 3.35Å; L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.02Å; L186-L190 VanDerWaalsContact O-N 3.16Å |
| 187 | I | 97.2 | Very high | 94.3 | Very high | 28 Ų | 28 | 74 Ų | 74 | 14% | 0.144 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -68.4 | -40.4 | 179 | -61.6 | 163 | 0 | 0 | 0 | 111.2 | P135 L138 L142 D183 S184 Q189 L190 L191 | P135-I187 HydrophobicContact CB-CD1 4.18Å; P135-I187 WeakPolarHBondContact O-CD1 3.41Å; L138-I187 HydrophobicContact CB-CB 4.2Å; L138-I187 HydrophobicContact CB-CD1 4.36Å; L138-I187 HydrophobicContact CB-CG2 3.67Å; L142-I187 HydrophobicContact CB-CG2 4.28Å; L142-I187 HydrophobicContact CD2-CG2 4.12Å; D183-I187 VanDerWaalsContact O-CG1 3.28Å; D183-I187 WeakPolarHBondContact O-CG1 3.44Å; D183-I187 PolarHBondContact O-N 3.45Å; D183-I187 VanDerWaalsContact O-N 3.07Å; S184-I187 PolarHBondContact O-N 3.21Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 3.18Å; I187-L190 WeakPolarHBondContact O-CB 3.09Å; I187-L190 PolarHBondContact O-N 3.01Å; I187-L190 VanDerWaalsContact O-N 3.14Å; I187-L191 PolarHBondContact O-N 3.09Å |
| 188 | M | 96.8 | Very high | 94.9 | Very high | 8 Ų | 8 | 71.4 Ų | 71.4 | 4% | 0.039 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.5 | -37.8 | 174.6 | -69.5 | 170.7 | 72.9 | 0 | 0 | 111.8 | L138 F166 A169 M170 L173 S184 T185 L191 R192 | L138-M188 HydrophobicContact CD1-CG 4.03Å; L138-M188 HydrophobicContact CD2-CG 4.22Å; F166-M188 HydrophobicContact CD2-CB 4.27Å; F166-M188 WeakPolarHBondContact CD2-O 3.07Å; F166-M188 HydrophobicContact CE2-CB 4.15Å; F166-M188 WeakPolarHBondContact CE2-O 3.48Å; A169-M188 HydrophobicContact CB-CE 3.89Å; A169-M188 HydrophobicContact CB-CG 4.34Å; A169-M188 HydrophobicContact CB-SD 4.07Å; M170-M188 HydrophobicContact CB-CE 4.43Å; M170-M188 HydrophobicContact CG-CE 3.66Å; M170-M188 HydrophobicContact SD-CE 3.37Å; M170-M188 WeakPolarHBondContact SD-CE 3.36Å; L173-M188 HydrophobicContact CD1-CE 4.27Å; L173-M188 HydrophobicContact CD1-SD 4.14Å; S184-M188 VanDerWaalsContact O-CG 3.24Å; S184-M188 WeakPolarHBondContact O-CG 3.39Å; S184-M188 PolarHBondContact O-N 2.88Å; T185-M188 PolarHBondContact O-N 3.25Å; M188-L191 PolarHBondContact O-N 3.46Å; M188-R192 PolarHBondContact O-N 3.29Å |
| 189 | Q | 97.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 29% | 0.29 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -45.1 | 173.6 | -179.9 | 57.7 | 69.8 | 0 | 0 | 111.5 | T185 L186 I187 R192 D193 | T185-Q189 WeakPolarHBondContact O-CB 3.18Å; T185-Q189 PolarHBondContact O-N 3.07Å; L186-Q189 WeakPolarHBondContact O-CB 3.44Å; L186-Q189 PolarHBondContact O-N 3.35Å; I187-Q189 VanDerWaalsContact C-N 3.26Å; I187-Q189 PolarHBondContact O-N 3.18Å; Q189-R192 VanDerWaalsContact NE2-NE 3.18Å; Q189-R192 WeakPolarHBondContact O-CB 3.44Å; Q189-R192 PolarHBondContact O-N 3.27Å; Q189-D193 VanDerWaalsContact NE2-CG 3.27Å; Q189-D193 PolarHBondContact NE2-OD1 3.37Å; Q189-D193 PolarHBondContact NE2-OD2 3.28Å; Q189-D193 PolarHBondContact O-N 3.12Å |
| 190 | L | 97.8 | Very high | 95.6 | Very high | 76 Ų | 76 | 61.2 Ų | 61.2 | 40% | 0.398 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 177.4 | -65.5 | 173.3 | 0 | 0 | 0 | 112.2 | L142 L186 I187 R192 D193 N194 | L142-L190 HydrophobicContact CD1-CB 4.27Å; L142-L190 HydrophobicContact CD2-CB 3.9Å; L142-L190 HydrophobicContact CD2-CD1 3.92Å; L186-L190 WeakPolarHBondContact O-CG 3.4Å; L186-L190 PolarHBondContact O-N 3.02Å; L186-L190 VanDerWaalsContact O-N 3.16Å; I187-L190 WeakPolarHBondContact O-CB 3.09Å; I187-L190 PolarHBondContact O-N 3.01Å; I187-L190 VanDerWaalsContact O-N 3.14Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 3.42Å; L190-D193 PolarHBondContact O-N 3.4Å; L190-N194 PolarHBondContact O-N 3.4Å |
| 191 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.9 | -44.8 | 173.2 | -77.7 | 167.7 | 0 | 0 | 0 | 111.3 | L138 L142 A162 T165 F166 I187 M188 N194 L195 | L138-L191 HydrophobicContact CD2-CD1 4.23Å; L142-L191 HydrophobicContact CB-CD2 3.94Å; L142-L191 HydrophobicContact CB-CG 4.25Å; L142-L191 HydrophobicContact CD1-CD2 3.86Å; L142-L191 HydrophobicContact CD1-CG 4.12Å; A162-L191 HydrophobicContact CB-CD2 3.95Å; T165-L191 HydrophobicContact CG2-CD1 3.84Å; F166-L191 HydrophobicContact CD2-CB 4.47Å; I187-L191 PolarHBondContact O-N 3.09Å; M188-L191 PolarHBondContact O-N 3.46Å; L191-N194 PolarHBondContact O-N 3.45Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 3.44Å |
| 192 | R | 97.4 | Very high | 95.3 | Very high | 120 Ų | 120 | 59.8 Ų | 59.8 | 45% | 0.453 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 177.6 | -170.6 | -174.8 | 73.7 | -171.3 | 4.6 | 112.5 | F166 M188 Q189 L190 L195 T196 | F166-R192 HydrophobicContact CD2-CB 4.35Å; F166-R192 HydrophobicContact CE2-CB 3.94Å; F166-R192 HydrophobicContact CZ-CB 4.45Å; M188-R192 PolarHBondContact O-N 3.29Å; Q189-R192 VanDerWaalsContact NE2-NE 3.18Å; Q189-R192 WeakPolarHBondContact O-CB 3.44Å; Q189-R192 PolarHBondContact O-N 3.27Å; L190-R192 VanDerWaalsContact C-N 3.32Å; L190-R192 PolarHBondContact O-N 3.42Å; R192-L195 PolarHBondContact O-N 3.35Å; R192-T196 PolarHBondContact O-N 3.18Å; R192-T196 PolarHBondContact O-OG1 3.01Å |
| 193 | D | 97.9 | Very high | 94.8 | Very high | 74 Ų | 74 | 55.3 Ų | 55.3 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.5 | -45.4 | 179.1 | -66.1 | -21.3 | 0 | 0 | 0 | 110.4 | Q189 L190 L195 T196 L197 | Q189-D193 VanDerWaalsContact NE2-CG 3.27Å; Q189-D193 PolarHBondContact NE2-OD1 3.37Å; Q189-D193 PolarHBondContact NE2-OD2 3.28Å; Q189-D193 PolarHBondContact O-N 3.12Å; L190-D193 PolarHBondContact O-N 3.4Å; D193-L195 PolarHBondContact O-N 3.01Å; D193-T196 PolarHBondContact O-N 2.75Å; D193-L197 PolarHBondContact O-N 3.39Å |
| 194 | N | 97.2 | Very high | 93.4 | Very high | 37 Ų | 37 | 53.8 Ų | 53.8 | 20% | 0.198 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.1 | -78 | 1.7 | 0 | 0 | 0 | 112.3 | L142 L190 L191 T196 L197 W198 | L142-N194 WeakPolarHBondContact CD1-ND2 3.47Å; L190-N194 PolarHBondContact O-N 3.4Å; L191-N194 PolarHBondContact O-N 3.45Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.24Å; N194-L197 PolarHBondContact O-N 3.19Å; N194-W198 HydrophobicContact CB-CD2 4.1Å; N194-W198 HydrophobicContact CB-CE3 4.03Å; N194-W198 HydrophobicContact CB-CH2 3.72Å; N194-W198 HydrophobicContact CB-CZ2 3.77Å; N194-W198 HydrophobicContact CB-CZ3 3.84Å; N194-W198 WeakPolarHBondContact ND2-CH2 3.11Å; N194-W198 WeakPolarHBondContact O-CB 3.2Å; N194-W198 VanDerWaalsContact O-CD2 3.31Å; N194-W198 PolarHBondContact O-N 3.16Å |
| 195 | L | 96.8 | Very high | 91.7 | Very high | 24 Ų | 24 | 61.5 Ų | 61.5 | 13% | 0.126 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 176.2 | -78.4 | 169.1 | 0 | 0 | 0 | 112 | I159 A162 K163 F166 L191 R192 D193 L197 T199 | I159-L195 HydrophobicContact CB-CD2 4.44Å; I159-L195 HydrophobicContact CG2-CD2 3.99Å; I159-L195 WeakPolarHBondContact O-CD2 3.16Å; A162-L195 HydrophobicContact CB-CD1 4.3Å; A162-L195 HydrophobicContact CB-CD2 3.72Å; A162-L195 HydrophobicContact CB-CG 3.82Å; K163-L195 HydrophobicContact CB-CD1 4.28Å; K163-L195 HydrophobicContact CB-CD2 4Å; F166-L195 HydrophobicContact CB-CD1 4.43Å; L191-L195 WeakPolarHBondContact O-CB 3.46Å; L191-L195 WeakPolarHBondContact O-CG 3.23Å; L191-L195 PolarHBondContact O-N 3.44Å; R192-L195 PolarHBondContact O-N 3.35Å; D193-L195 PolarHBondContact O-N 3.01Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L195-T199 VanDerWaalsContact O-CB 3.3Å; L195-T199 WeakPolarHBondContact O-CB 3.27Å; L195-T199 WeakPolarHBondContact O-CG2 3.39Å; L195-T199 PolarHBondContact O-N 3.46Å; L195-T199 PolarHBondContact O-OG1 3.48Å |
| 196 | T | 96.4 | Very high | 89.8 | Confident | 88 Ų | 88 | 67.9 Ų | 67.9 | 54% | 0.54 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 179.5 | -55.3 | 0 | 0 | 0 | 0 | 111 | R192 D193 N194 T199 A200 | R192-T196 PolarHBondContact O-N 3.18Å; R192-T196 PolarHBondContact O-OG1 3.01Å; D193-T196 PolarHBondContact O-N 2.75Å; N194-T196 VanDerWaalsContact C-N 3.3Å; N194-T196 PolarHBondContact O-N 3.24Å; T196-T199 PolarHBondContact O-OG1 2.96Å; T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.33Å |
| 197 | L | 96.2 | Very high | 87.4 | Confident | 93 Ų | 93 | 66.2 Ų | 66.2 | 49% | 0.487 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.5 | -55.7 | 178 | -178.6 | 65.3 | 0 | 0 | 0 | 111.6 | D193 N194 L195 T199 A200 D201 | D193-L197 PolarHBondContact O-N 3.39Å; N194-L197 PolarHBondContact O-N 3.19Å; L195-L197 VanDerWaalsContact C-N 3.34Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.86Å; L197-A200 WeakPolarHBondContact O-CB 3.39Å; L197-A200 PolarHBondContact O-N 3.44Å; L197-A200 VanDerWaalsContact O-N 3.14Å; L197-D201 PolarHBondContact O-N 2.94Å |
| 198 | W | 96.7 | Very high | 84.8 | Confident | 6 Ų | 6 | 67.9 Ų | 67.9 | 2% | 0.023 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.2 | -32.2 | -173.6 | -59.1 | -22.9 | 0 | 0 | 0 | 113.2 | V146 Y149 A158 I159 A162 N194 N202 | V146-W198 HydrophobicContact CG2-CH2 3.96Å; V146-W198 HydrophobicContact CG2-CZ2 4.02Å; Y149-W198 AromaticContact CD1-CD1 3.78Å; Y149-W198 AromaticContact CD1-CE2 3.88Å; Y149-W198 HydrophobicContact CD1-CG 4.44Å; Y149-W198 HydrophobicContact CD1-CZ2 4.42Å; Y149-W198 AromaticContact CD1-NE1 3.37Å; Y149-W198 HydrophobicContact CD2-CB 4.04Å; Y149-W198 AromaticContact CD2-CD1 3.63Å; Y149-W198 AromaticContact CD2-CD2 3.67Å; Y149-W198 HydrophobicContact CD2-CD2 3.67Å; Y149-W198 AromaticContact CD2-CE2 3.85Å; Y149-W198 HydrophobicContact CD2-CE3 4.34Å; Y149-W198 AromaticContact CD2-CG 3.52Å; Y149-W198 HydrophobicContact CD2-CG 3.52Å; Y149-W198 AromaticContact CD2-NE1 3.8Å; Y149-W198 AromaticContact CE1-CD1 3.42Å; Y149-W198 VanDerWaalsContact CE1-CD1 3.42Å; Y149-W198 HydrophobicContact CE1-CG 4.28Å; Y149-W198 AromaticContact CE1-NE1 3.44Å; Y149-W198 HydrophobicContact CE2-CB 3.57Å; Y149-W198 AromaticContact CE2-CD1 3.28Å; Y149-W198 HydrophobicContact CE2-CD2 4.03Å; Y149-W198 AromaticContact CE2-CG 3.34Å; Y149-W198 HydrophobicContact CE2-CG 3.34Å; Y149-W198 AromaticContact CE2-NE1 3.89Å; Y149-W198 AromaticContact CG-CD1 3.86Å; Y149-W198 AromaticContact CG-CD2 3.95Å; Y149-W198 HydrophobicContact CG-CD2 3.95Å; Y149-W198 AromaticContact CG-CE2 3.61Å; Y149-W198 HydrophobicContact CG-CG 4.09Å; Y149-W198 HydrophobicContact CG-CZ2 4.07Å; Y149-W198 AromaticContact CG-NE1 3.55Å; Y149-W198 AromaticContact CZ-CD1 3.15Å; Y149-W198 AromaticContact CZ-CG 3.74Å; Y149-W198 AromaticContact CZ-NE1 3.69Å; A158-W198 HydrophobicContact CB-CE3 4.13Å; A158-W198 HydrophobicContact CB-CZ3 3.99Å; I159-W198 HydrophobicContact CD1-CB 4.12Å; I159-W198 HydrophobicContact CG1-CB 3.9Å; I159-W198 HydrophobicContact CG1-CE3 4.45Å; A162-W198 HydrophobicContact CB-CZ3 4.25Å; N194-W198 HydrophobicContact CB-CD2 4.1Å; N194-W198 HydrophobicContact CB-CE3 4.03Å; N194-W198 HydrophobicContact CB-CH2 3.72Å; N194-W198 HydrophobicContact CB-CZ2 3.77Å; N194-W198 HydrophobicContact CB-CZ3 3.84Å; N194-W198 WeakPolarHBondContact ND2-CH2 3.11Å; N194-W198 WeakPolarHBondContact O-CB 3.2Å; N194-W198 VanDerWaalsContact O-CD2 3.31Å; N194-W198 PolarHBondContact O-N 3.16Å; W198-N202 WeakPolarHBondContact O-CB 3.33Å; W198-N202 PolarHBondContact O-N 2.87Å; W198-N202 VanDerWaalsContact O-N 3.14Å; W198-N202 PolarHBondContact O-OD1 3.44Å |
| 199 | T | 94.1 | Very high | 82 | Confident | 67 Ų | 67 | 76.7 Ų | 76.7 | 41% | 0.411 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.9 | -33.6 | 174.4 | 53.9 | 0 | 0 | 0 | 0 | 112.4 | I159 L195 T196 L197 A203 | I159-T199 HydrophobicContact CD1-CG2 4.08Å; I159-T199 HydrophobicContact CG1-CG2 4.39Å; I159-T199 HydrophobicContact CG2-CG2 4.06Å; L195-T199 VanDerWaalsContact O-CB 3.3Å; L195-T199 WeakPolarHBondContact O-CB 3.27Å; L195-T199 WeakPolarHBondContact O-CG2 3.39Å; L195-T199 PolarHBondContact O-N 3.46Å; L195-T199 PolarHBondContact O-OG1 3.48Å; T196-T199 PolarHBondContact O-OG1 2.96Å; L197-T199 VanDerWaalsContact C-N 3.33Å; L197-T199 PolarHBondContact O-N 2.86Å; T199-A203 WeakPolarHBondContact O-CB 3.5Å; T199-A203 PolarHBondContact O-N 2.7Å; T199-A203 VanDerWaalsContact O-N 3.14Å |
| 200 | A | 93.7 | Very high | 79.5 | Confident | 60 Ų | 60 | 77.6 Ų | 77.6 | 50% | 0.496 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.3 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T196 L197 A203 G204 | T196-A200 WeakPolarHBondContact O-CB 3.42Å; T196-A200 PolarHBondContact O-N 3.33Å; L197-A200 WeakPolarHBondContact O-CB 3.39Å; L197-A200 PolarHBondContact O-N 3.44Å; L197-A200 VanDerWaalsContact O-N 3.14Å; A200-A203 PolarHBondContact O-N 3.36Å; A200-G204 PolarHBondContact O-N 2.67Å |
| 201 | D | 90.2 | Very high | 76.9 | Confident | 74 Ų | 74 | 79.9 Ų | 79.9 | 40% | 0.396 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 177.6 | -71.2 | -11.5 | 0 | 0 | 0 | 110.9 | Y149 L197 A203 G204 | Y149-D201 PolarHBondContact OH-OD2 2.87Å; L197-D201 PolarHBondContact O-N 2.94Å; D201-A203 PolarHBondContact O-N 2.87Å; D201-G204 PolarHBondContact O-N 2.68Å |
| 202 | N | 83.9 | Confident | 74.4 | Confident | 40 Ų | 40 | 88.7 Ų | 88.7 | 21% | 0.214 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -67 | -33.5 | 179.2 | -75.6 | 14.4 | 0 | 0 | 0 | 113.6 | W198 G204 E205 | W198-N202 WeakPolarHBondContact O-CB 3.33Å; W198-N202 PolarHBondContact O-N 2.87Å; W198-N202 VanDerWaalsContact O-N 3.14Å; W198-N202 PolarHBondContact O-OD1 3.44Å; N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 2.8Å; N202-E205 PolarHBondContact O-N 3.28Å |
| 203 | A | 82.4 | Confident | 71.9 | Confident | 66 Ų | 66 | 91.5 Ų | 91.5 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.7 | -26.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T199 A200 D201 E205 | T199-A203 WeakPolarHBondContact O-CB 3.5Å; T199-A203 PolarHBondContact O-N 2.7Å; T199-A203 VanDerWaalsContact O-N 3.14Å; A200-A203 PolarHBondContact O-N 3.36Å; D201-A203 PolarHBondContact O-N 2.87Å; A203-E205 VanDerWaalsContact C-N 3.34Å |
| 204 | G | 66 | Low | 69.8 | Low | 58 Ų | 58 | 93.7 Ų | 93.7 | 60% | 0.598 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.7 | -27.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | A200 D201 N202 | A200-G204 PolarHBondContact O-N 2.67Å; D201-G204 PolarHBondContact O-N 2.68Å; N202-G204 VanDerWaalsContact C-N 3.27Å; N202-G204 PolarHBondContact O-N 2.8Å |
| 205 | E | 58.5 | Low | 67.3 | Low | 162 Ų | 162 | 101.5 Ų | 101.5 | 76% | 0.757 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -78.7 | -28.4 | -179.2 | -64.9 | -170.9 | 162.8 | 0 | 0 | 112.9 | N202 A203 G207 | N202-E205 PolarHBondContact O-N 3.28Å; A203-E205 VanDerWaalsContact C-N 3.34Å; E205-G207 VanDerWaalsContact C-N 3.31Å; E205-G207 PolarHBondContact O-N 2.92Å |
| 206 | E | 54.6 | Low | 65.7 | Low | 179 Ų | 179 | 109.4 Ų | 109.4 | 84% | 0.836 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.4 | -11.2 | 176.7 | -66.7 | -172.1 | 164.6 | 0 | 0 | 113.7 | ||
| 207 | G | 48 | Very low | 64.1 | Low | 68 Ų | 68 | 110.5 Ų | 110.5 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 9.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | E205 | E205-G207 VanDerWaalsContact C-N 3.31Å; E205-G207 PolarHBondContact O-N 2.92Å |
| 208 | G | 41.6 | Very low | 62.4 | Low | 64 Ų | 64 | 111.4 Ų | 111.4 | 66% | 0.66 | 67% | 0.671 | S | S | * | * | trans | -97 | 14.7 | -169.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | A210 | G208-A210 PolarHBondContact O-N 3.28Š| ||
| 209 | E | 38.2 | Very low | 60.5 | Low | 192 Ų | 192 | 117.2 Ų | 117.2 | 90% | 0.897 | 71% | 0.707 | S | S | * | * | trans | -68.8 | 100.1 | 169.3 | -80.1 | -170.4 | 161.5 | 0 | 0 | 109.5 | ||||
| 210 | A | 43.6 | Very low | 58.6 | Low | 81 Ų | 81 | 120.2 Ų | 120.2 | 67% | 0.669 | 73% | 0.725 | S | S | * | * | trans | -47.4 | 132.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G208 Q212 | G208-A210 PolarHBondContact O-N 3.28Å; A210-Q212 PolarHBondContact O-N 3.17Å | ||
| 211 | P | 44 | Very low | 56.4 | Low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 74% | 0.739 | S | S | * | * | trans | -57.8 | 112.8 | 169.7 | -16 | 27.6 | 0 | 0 | 0 | 107.6 | E213 | P211-E213 PolarHBondContact O-N 3.33Š| ||
| 212 | Q | 44.6 | Very low | 54.1 | Low | 185 Ų | 185 | 127.3 Ų | 127.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | -58.1 | 109.6 | 165.2 | -70.7 | 179.6 | 1.1 | 0 | 0 | 106.4 | A210 P214 | A210-Q212 PolarHBondContact O-N 3.17Å; Q212-P214 VanDerWaalsContact O-CD 3.28Å; Q212-P214 WeakPolarHBondContact O-CD 3.44Å | ||
| 213 | E | 45.1 | Very low | 52 | Low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 120.2 | 168.3 | -76.4 | -171.7 | 160.4 | 0 | 0 | 107.6 | P211 Q215 | P211-E213 PolarHBondContact O-N 3.33Å; E213-Q215 PolarHBondContact O-N 3.11Å |
| 214 | P | 53.9 | Low | 49.6 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -67 | 120.7 | 172.8 | 25.3 | -28.1 | 0 | 0 | 0 | 108 | Q212 S216 | Q212-P214 VanDerWaalsContact O-CD 3.28Å; Q212-P214 WeakPolarHBondContact O-CD 3.44Å; P214-S216 PolarHBondContact O-N 3.21Å |
| 215 | Q | 45.4 | Very low | 48.3 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 94% | 0.939 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.6 | 168.7 | -69.2 | -179.7 | -12.8 | 0 | 0 | 109.8 | E213 | E213-Q215 PolarHBondContact O-N 3.11Š|
| 216 | S | 61.9 | Low | 47.4 | Very low | 190 Ų | 190 | 143.9 Ų | 143.9 | 100% | 1.329 | 85% | 0.847 | S | S | * | * | trans | -140.1 | 0 | 156.2 | 63.2 | 0 | 0 | 0 | 0 | 109.2 | P214 | P214-S216 PolarHBondContact O-N 3.21Š|
Retrieved 216 of 216 residues in 368.5 ms
(Link to these results)