| 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 | 73 | Confident | 94.4 | Very high | 112 Ų | 112 | 60.2 Ų | 60.2 | 55% | 0.552 | 31% | 0.314 | S | S | * | . | 0 | 133.4 | 0 | -166.7 | 177.6 | -42 | 0 | 0 | 107.1 | S5 L6 K9 | M1-S5 WeakPolarHBondContact CG-OG 3.21Å; M1-S5 PolarHBondContact SD-OG 3.3Å; M1-L6 HydrophobicContact CB-CD2 4.35Å; M1-L6 HydrophobicContact CB-CG 4.25Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CG-CD2 4.26Å; M1-L6 HydrophobicContact CG-CG 4.05Å; M1-L6 HydrophobicContact SD-CD2 3.52Å; M1-L6 VanDerWaalsContact SD-CD2 3.52Å; M1-L6 HydrophobicContact SD-CG 3.81Å; M1-K9 HydrophobicContact CE-CD 4.17Å; M1-K9 HydrophobicContact SD-CD 3.67Å; M1-K9 PolarHBondContact SD-NZ 3.1Å; M1-K9 VanDerWaalsContact SD-NZ 3.44Å | |||
| 2 | E | 91 | Very high | 94.8 | Very high | 152 Ų | 152 | 63.1 Ų | 63.1 | 71% | 0.71 | 33% | 0.329 | S | S | * | . | trans | -66.1 | 148.9 | 176.5 | -63.7 | -51.4 | 125.8 | 0 | 0 | 111.2 | A4 S5 L6 | E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.12Å; E2-S5 WeakPolarHBondContact O-CB 3.31Å; E2-S5 PolarHBondContact O-N 2.99Å; E2-L6 PolarHBondContact O-N 3.47Å; E2-L6 VanDerWaalsContact O-N 3.14Å | ||
| 3 | R | 93.8 | Very high | 95.1 | Very high | 25 Ų | 25 | 58.8 Ų | 58.8 | 9% | 0.094 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -53.6 | -47.7 | 179.8 | -173.7 | -177 | 173.2 | -85.3 | 1.6 | 111.6 | S5 L6 I7 A29 K32 E34 E35 E40 | R3-S5 VanDerWaalsContact C-N 3.26Å; R3-S5 PolarHBondContact O-N 2.99Å; R3-L6 WeakPolarHBondContact O-CA 3.26Å; R3-L6 WeakPolarHBondContact O-CB 3.41Å; R3-L6 PolarHBondContact O-N 3.43Å; R3-I7 PolarHBondContact O-N 3.31Å; R3-A29 HydrophobicContact CG-CB 4.16Å; R3-K32 HydrophobicContact CB-CB 4.3Å; R3-K32 HydrophobicContact CB-CG 4.16Å; R3-K32 HydrophobicContact CG-CB 4.37Å; R3-E34 WeakPolarHBondContact CD-OE2 3.32Å; R3-E34 IonicContact CZ-OE2 3.26Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.13Å; R3-E34 IonicContact NH1-OE2 3.91Å; R3-E34 PolarHBondContact NH1-OE2 2.99Å; R3-E35 PolarHBondContact NH2-O 3.39Å; R3-E40 IonicContact CZ-OE1 3.68Å; R3-E40 IonicContact CZ-OE2 2.75Å; R3-E40 IonicContact NH1-OE1 2.67Å; R3-E40 PolarHBondContact NH1-OE1 3.35Å; R3-E40 IonicContact NH1-OE2 3.53Å; R3-E40 IonicContact NH2-OE1 3.13Å; R3-E40 PolarHBondContact NH2-OE1 2.96Å; R3-E40 IonicContact NH2-OE2 2.66Å; R3-E40 PolarHBondContact NH2-OE2 3.23Å |
| 4 | A | 94.8 | Very high | 95.3 | Very high | 75 Ų | 75 | 59.6 Ų | 59.6 | 62% | 0.62 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.7 | -37 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | E2 L6 Q8 | E2-A4 VanDerWaalsContact C-N 3.32Å; E2-A4 PolarHBondContact O-N 3.12Å; A4-L6 VanDerWaalsContact C-N 3.34Å; A4-Q8 PolarHBondContact O-N 3.36Å |
| 5 | S | 97.1 | Very high | 95.5 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -71.1 | -30.5 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 112.4 | M1 E2 R3 K9 | M1-S5 WeakPolarHBondContact CG-OG 3.21Å; M1-S5 PolarHBondContact SD-OG 3.3Å; E2-S5 WeakPolarHBondContact O-CB 3.31Å; E2-S5 PolarHBondContact O-N 2.99Å; R3-S5 VanDerWaalsContact C-N 3.26Å; R3-S5 PolarHBondContact O-N 2.99Å; S5-K9 VanDerWaalsContact O-CG 3.31Å; S5-K9 WeakPolarHBondContact O-CG 3.4Å; S5-K9 PolarHBondContact O-N 3.46Å; S5-K9 VanDerWaalsContact O-N 3.14Å |
| 6 | L | 97.9 | Very high | 95.6 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 174.8 | -70.6 | 161.1 | 0 | 0 | 0 | 110.4 | M1 E2 R3 A4 Q8 K9 A10 F25 G28 A29 | M1-L6 HydrophobicContact CB-CD2 4.35Å; M1-L6 HydrophobicContact CB-CG 4.25Å; M1-L6 HydrophobicContact CE-CD2 4.17Å; M1-L6 HydrophobicContact CG-CD2 4.26Å; M1-L6 HydrophobicContact CG-CG 4.05Å; M1-L6 HydrophobicContact SD-CD2 3.52Å; M1-L6 VanDerWaalsContact SD-CD2 3.52Å; M1-L6 HydrophobicContact SD-CG 3.81Å; E2-L6 PolarHBondContact O-N 3.47Å; E2-L6 VanDerWaalsContact O-N 3.14Å; R3-L6 WeakPolarHBondContact O-CA 3.26Å; R3-L6 WeakPolarHBondContact O-CB 3.41Å; R3-L6 PolarHBondContact O-N 3.43Å; A4-L6 VanDerWaalsContact C-N 3.34Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 2.78Å; L6-K9 PolarHBondContact O-N 3.17Å; L6-K9 VanDerWaalsContact O-N 3.15Å; L6-A10 PolarHBondContact O-N 3.04Å; L6-F25 HydrophobicContact CD2-CB 4.47Å; L6-F25 HydrophobicContact CD2-CD1 4.06Å; L6-G28 WeakPolarHBondContact CD1-O 3.36Å; L6-A29 HydrophobicContact CB-CB 4.04Å |
| 7 | I | 98 | Very high | 95.7 | Very high | 10 Ų | 10 | 70.2 Ų | 70.2 | 5% | 0.051 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -59.6 | -44.9 | 175.4 | -61 | -56.3 | 0 | 0 | 0 | 111.1 | R3 K9 A10 K11 M26 A29 E40 L43 | R3-I7 PolarHBondContact O-N 3.31Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 3.37Å; I7-A10 WeakPolarHBondContact O-CB 3.11Å; I7-A10 PolarHBondContact O-N 3.44Å; I7-A10 VanDerWaalsContact O-N 3.16Å; I7-K11 WeakPolarHBondContact O-CG 3.35Å; I7-K11 PolarHBondContact O-N 2.97Å; I7-M26 HydrophobicContact CD1-CE 3.72Å; I7-M26 HydrophobicContact CD1-SD 3.62Å; I7-A29 HydrophobicContact CD1-CB 3.57Å; I7-A29 HydrophobicContact CG1-CB 4.23Å; I7-E40 HydrophobicContact CD1-CB 4.39Å; I7-E40 HydrophobicContact CD1-CG 3.93Å; I7-E40 HydrophobicContact CG1-CG 4.26Å; I7-E40 HydrophobicContact CG2-CG 4.14Å; I7-L43 HydrophobicContact CG2-CD1 4.3Å |
| 8 | Q | 97.9 | Very high | 95.9 | Very high | 103 Ų | 103 | 74.1 Ų | 74.1 | 48% | 0.481 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -38.8 | 176.9 | -175.1 | 59.6 | 28 | 0 | 0 | 112.3 | A4 L6 K11 L12 | A4-Q8 PolarHBondContact O-N 3.36Å; L6-Q8 VanDerWaalsContact C-N 3.35Å; L6-Q8 PolarHBondContact O-N 2.78Å; Q8-K11 PolarHBondContact O-N 3.37Å; Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.49Å; Q8-L12 VanDerWaalsContact O-N 3.1Å |
| 9 | K | 98.4 | Very high | 96 | Very high | 76 Ų | 76 | 72.9 Ų | 72.9 | 33% | 0.33 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 175.8 | -75.1 | -178.2 | -179.1 | -174.5 | 0 | 112.5 | M1 S5 L6 I7 L12 A13 F25 | M1-K9 HydrophobicContact CE-CD 4.17Å; M1-K9 HydrophobicContact SD-CD 3.67Å; M1-K9 PolarHBondContact SD-NZ 3.1Å; M1-K9 VanDerWaalsContact SD-NZ 3.44Å; S5-K9 VanDerWaalsContact O-CG 3.31Å; S5-K9 WeakPolarHBondContact O-CG 3.4Å; S5-K9 PolarHBondContact O-N 3.46Å; S5-K9 VanDerWaalsContact O-N 3.14Å; L6-K9 PolarHBondContact O-N 3.17Å; L6-K9 VanDerWaalsContact O-N 3.15Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 3.37Å; K9-L12 PolarHBondContact O-N 3.25Å; K9-A13 WeakPolarHBondContact O-CB 3.29Å; K9-A13 PolarHBondContact O-N 3.47Å; K9-F25 HydrophobicContact CB-CB 4.48Å; K9-F25 HydrophobicContact CB-CD1 4.02Å; K9-F25 HydrophobicContact CB-CD2 3.54Å; K9-F25 HydrophobicContact CB-CE1 4.13Å; K9-F25 HydrophobicContact CB-CE2 3.66Å; K9-F25 HydrophobicContact CB-CG 3.75Å; K9-F25 HydrophobicContact CB-CZ 3.96Å; K9-F25 HydrophobicContact CD-CD1 4.14Å; K9-F25 HydrophobicContact CD-CE1 3.74Å; K9-F25 HydrophobicContact CD-CE2 4.47Å; K9-F25 HydrophobicContact CD-CZ 3.92Å; K9-F25 HydrophobicContact CG-CZ 4.46Å |
| 10 | A | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L6 I7 L12 A13 E14 M22 F25 M26 | L6-A10 PolarHBondContact O-N 3.04Å; I7-A10 WeakPolarHBondContact O-CB 3.11Å; I7-A10 PolarHBondContact O-N 3.44Å; I7-A10 VanDerWaalsContact O-N 3.16Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 2.89Å; A10-A13 PolarHBondContact O-N 3.48Å; A10-E14 PolarHBondContact O-N 3.37Å; A10-M22 HydrophobicContact CB-CG 4.13Å; A10-F25 HydrophobicContact CB-CB 4.09Å; A10-M26 HydrophobicContact CB-CG 3.77Å; A10-M26 HydrophobicContact CB-SD 3.52Å; A10-M26 VanDerWaalsContact CB-SD 3.52Å |
| 11 | K | 98.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 74.1 Ų | 74.1 | 20% | 0.2 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -39 | 174.7 | -65.9 | -176.4 | -175.7 | -165 | 0 | 112.9 | I7 Q8 Q15 E39 L43 | I7-K11 WeakPolarHBondContact O-CG 3.35Å; I7-K11 PolarHBondContact O-N 2.97Å; Q8-K11 PolarHBondContact O-N 3.37Å; K11-Q15 WeakPolarHBondContact O-CG 3.49Å; K11-Q15 PolarHBondContact O-N 3.01Å; K11-E39 WeakPolarHBondContact CE-OE1 3.44Å; K11-E39 IonicContact NZ-OE1 2.95Å; K11-E39 PolarHBondContact NZ-OE1 2.98Å; K11-E39 IonicContact NZ-OE2 2.65Å; K11-E39 PolarHBondContact NZ-OE2 3.29Å; K11-L43 HydrophobicContact CD-CD1 4.44Å; K11-L43 HydrophobicContact CG-CD1 3.75Å; K11-L43 HydrophobicContact CG-CD2 4.24Å |
| 12 | L | 98.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 68.8 Ų | 68.8 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -39 | 174.8 | -69.5 | 171.7 | 0 | 0 | 0 | 112 | Q8 K9 A10 Q15 A16 | Q8-L12 WeakPolarHBondContact O-CG 3.37Å; Q8-L12 PolarHBondContact O-N 3.49Å; Q8-L12 VanDerWaalsContact O-N 3.1Å; K9-L12 PolarHBondContact O-N 3.25Å; A10-L12 VanDerWaalsContact C-N 3.34Å; A10-L12 PolarHBondContact O-N 2.89Å; L12-Q15 PolarHBondContact O-N 3.45Å; L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 2.83Å; L12-A16 VanDerWaalsContact O-N 3.16Å |
| 13 | A | 98.5 | Very high | 97.8 | Very high | 7 Ų | 7 | 61.9 Ų | 61.9 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K9 A10 A16 E17 R18 D21 M22 F25 | K9-A13 WeakPolarHBondContact O-CB 3.29Å; K9-A13 PolarHBondContact O-N 3.47Å; A10-A13 PolarHBondContact O-N 3.48Å; A13-A16 CarbonylContact O-C 3.53Å; A13-A16 PolarHBondContact O-N 2.91Å; A13-E17 PolarHBondContact O-N 3.23Å; A13-R18 HydrophobicContact CB-CB 4.42Å; A13-R18 PolarHBondContact O-N 2.69Å; A13-D21 HydrophobicContact CB-CB 4.19Å; A13-M22 HydrophobicContact CB-CB 3.85Å; A13-M22 HydrophobicContact CB-CG 4.46Å; A13-F25 HydrophobicContact CB-CD2 4.29Å; A13-F25 HydrophobicContact CB-CE2 4.29Å |
| 14 | E | 98.2 | Very high | 98 | Very high | 71 Ų | 71 | 63.6 Ų | 63.6 | 33% | 0.332 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58 | -50.5 | 172.6 | -176.9 | -177.7 | -147 | 0 | 0 | 111.5 | A10 A16 E17 M22 L43 | A10-E14 PolarHBondContact O-N 3.37Å; E14-A16 PolarHBondContact O-N 3.35Å; E14-E17 PolarHBondContact O-N 3.03Å; E14-M22 HydrophobicContact CB-CE 3.89Å; E14-M22 HydrophobicContact CB-SD 3.89Å; E14-M22 HydrophobicContact CG-CE 4.14Å; E14-M22 HydrophobicContact CG-SD 4.34Å; E14-L43 VanDerWaalsContact OE2-CD2 3.25Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.45Å |
| 15 | Q | 97.8 | Very high | 98.2 | Very high | 156 Ų | 156 | 62.4 Ų | 62.4 | 73% | 0.729 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -62.9 | -24.9 | 178.2 | -70.7 | 174.9 | 43.9 | 0 | 0 | 113.4 | K11 L12 | K11-Q15 WeakPolarHBondContact O-CG 3.49Å; K11-Q15 PolarHBondContact O-N 3.01Å; L12-Q15 PolarHBondContact O-N 3.45Å |
| 16 | A | 98.1 | Very high | 98.2 | Very high | 60 Ų | 60 | 60.1 Ų | 60.1 | 50% | 0.496 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | 3.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L12 A13 E14 R18 | L12-A16 WeakPolarHBondContact O-CB 3.31Å; L12-A16 PolarHBondContact O-N 2.83Å; L12-A16 VanDerWaalsContact O-N 3.16Å; A13-A16 CarbonylContact O-C 3.53Å; A13-A16 PolarHBondContact O-N 2.91Å; E14-A16 PolarHBondContact O-N 3.35Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 3.42Å; A16-R18 VanDerWaalsContact O-N 3.16Å |
| 17 | E | 97.6 | Very high | 98.2 | Very high | 142 Ų | 142 | 62.8 Ų | 62.8 | 66% | 0.664 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 30.5 | -175.7 | -57 | -175.8 | 167.8 | 0 | 0 | 113.7 | A13 E14 Y19 | A13-E17 PolarHBondContact O-N 3.23Å; E14-E17 PolarHBondContact O-N 3.03Å; E17-Y19 HydrophobicContact CB-CE2 4.01Å; E17-Y19 WeakPolarHBondContact O-CD2 3.45Å; E17-Y19 PolarHBondContact O-N 3.16Å |
| 18 | R | 98.3 | Very high | 98.2 | Very high | 141 Ų | 141 | 63.1 Ų | 63.1 | 53% | 0.532 | 32% | 0.316 | S | S | . | . | trans | -94.7 | 72.9 | 177.2 | -67.8 | -174 | 59.3 | 114 | 6.6 | 110.3 | A13 A16 E20 D21 M22 | A13-R18 HydrophobicContact CB-CB 4.42Å; A13-R18 PolarHBondContact O-N 2.69Å; A16-R18 HydrophobicContact CB-CG 4.2Å; A16-R18 PolarHBondContact O-N 3.42Å; A16-R18 VanDerWaalsContact O-N 3.16Å; R18-E20 VanDerWaalsContact C-N 3.34Å; R18-E20 PolarHBondContact O-N 3.21Å; R18-D21 HydrophobicContact CB-CB 4.22Å; R18-D21 IonicContact CZ-OD2 3.12Å; R18-D21 IonicContact NE-OD2 2.66Å; R18-D21 PolarHBondContact NE-OD2 3.24Å; R18-D21 IonicContact NH2-OD1 3.54Å; R18-D21 IonicContact NH2-OD2 2.8Å; R18-D21 PolarHBondContact NH2-OD2 3.44Å; R18-D21 PolarHBondContact O-N 3.02Å; R18-M22 PolarHBondContact O-N 2.98Å | ||
| 19 | Y | 98.3 | Very high | 98.2 | Very high | 52 Ų | 52 | 58.2 Ų | 58.2 | 20% | 0.204 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.6 | -28.6 | -170.2 | -59.1 | -67.7 | 0 | 0 | 0 | 114.3 | E17 M22 A23 V46 N50 V51 | E17-Y19 HydrophobicContact CB-CE2 4.01Å; E17-Y19 WeakPolarHBondContact O-CD2 3.45Å; E17-Y19 PolarHBondContact O-N 3.16Å; Y19-M22 HydrophobicContact CD1-SD 4.11Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.21Å; Y19-A23 WeakPolarHBondContact O-CB 3.13Å; Y19-A23 PolarHBondContact O-N 3.46Å; Y19-V46 HydrophobicContact CE1-CG1 4.31Å; Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.5Å; Y19-N50 HydrophobicContact CE1-CB 3.93Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.47Å; Y19-N50 HydrophobicContact CE2-CB 3.87Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; Y19-V51 WeakPolarHBondContact O-CG2 3.47Å |
| 20 | E | 97.9 | Very high | 98.1 | Very high | 116 Ų | 116 | 54.8 Ų | 54.8 | 54% | 0.542 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 174.2 | -64.8 | 74.2 | -164.5 | 0 | 0 | 111.3 | R18 A23 A24 V51 | R18-E20 VanDerWaalsContact C-N 3.34Å; R18-E20 PolarHBondContact O-N 3.21Å; E20-A23 PolarHBondContact O-N 3.03Å; E20-A24 WeakPolarHBondContact O-CB 3.5Å; E20-A24 PolarHBondContact O-N 2.82Å; E20-V51 HydrophobicContact CG-CG2 4.27Å |
| 21 | D | 98.5 | Very high | 98 | Very high | 54 Ų | 54 | 59.6 Ų | 59.6 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 174.9 | -68.8 | -9.8 | 0 | 0 | 0 | 110.2 | A13 R18 A23 A24 F25 | A13-D21 HydrophobicContact CB-CB 4.19Å; R18-D21 HydrophobicContact CB-CB 4.22Å; R18-D21 IonicContact CZ-OD2 3.12Å; R18-D21 IonicContact NE-OD2 2.66Å; R18-D21 PolarHBondContact NE-OD2 3.24Å; R18-D21 IonicContact NH2-OD1 3.54Å; R18-D21 IonicContact NH2-OD2 2.8Å; R18-D21 PolarHBondContact NH2-OD2 3.44Å; R18-D21 PolarHBondContact O-N 3.02Å; D21-A23 VanDerWaalsContact C-N 3.31Å; D21-A23 PolarHBondContact O-N 3.37Å; D21-A24 PolarHBondContact O-N 2.92Å; D21-F25 HydrophobicContact CB-CD2 4.38Å; D21-F25 HydrophobicContact CB-CE2 3.85Å; D21-F25 HydrophobicContact CB-CZ 4.45Å; D21-F25 WeakPolarHBondContact O-CD2 3.44Å; D21-F25 VanDerWaalsContact O-CG 3.27Å; D21-F25 WeakPolarHBondContact O-CG 3.47Å; D21-F25 PolarHBondContact O-N 2.99Å |
| 22 | M | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.3 | -46.4 | 175.4 | -166.3 | -170.5 | 176.8 | 0 | 0 | 111 | A10 A13 E14 R18 Y19 F25 M26 L43 V46 A47 | A10-M22 HydrophobicContact CB-CG 4.13Å; A13-M22 HydrophobicContact CB-CB 3.85Å; A13-M22 HydrophobicContact CB-CG 4.46Å; E14-M22 HydrophobicContact CB-CE 3.89Å; E14-M22 HydrophobicContact CB-SD 3.89Å; E14-M22 HydrophobicContact CG-CE 4.14Å; E14-M22 HydrophobicContact CG-SD 4.34Å; R18-M22 PolarHBondContact O-N 2.98Å; Y19-M22 HydrophobicContact CD1-SD 4.11Å; Y19-M22 WeakPolarHBondContact O-CB 3.4Å; Y19-M22 PolarHBondContact O-N 3.21Å; M22-F25 PolarHBondContact O-N 3.16Å; M22-M26 WeakPolarHBondContact O-CB 3.48Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.45Å; M22-M26 PolarHBondContact O-N 2.62Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.5Å; M22-L43 HydrophobicContact CE-CG 4.33Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.12Å; M22-V46 HydrophobicContact SD-CG1 4.32Å; M22-A47 HydrophobicContact CB-CB 3.93Å; M22-A47 HydrophobicContact CE-CB 4.08Å; M22-A47 HydrophobicContact CG-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å |
| 23 | A | 98.5 | Very high | 97.2 | Very high | 7 Ų | 7 | 60.8 Ų | 60.8 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y19 E20 D21 M26 K27 A47 Y48 V51 | Y19-A23 WeakPolarHBondContact O-CB 3.13Å; Y19-A23 PolarHBondContact O-N 3.46Å; E20-A23 PolarHBondContact O-N 3.03Å; D21-A23 VanDerWaalsContact C-N 3.31Å; D21-A23 PolarHBondContact O-N 3.37Å; A23-M26 PolarHBondContact O-N 3.43Å; A23-K27 VanDerWaalsContact O-CB 3.3Å; A23-K27 WeakPolarHBondContact O-CB 3.46Å; A23-K27 PolarHBondContact O-N 2.99Å; A23-A47 HydrophobicContact CB-CB 4.23Å; A23-Y48 HydrophobicContact CB-CD1 3.97Å; A23-Y48 HydrophobicContact CB-CD2 4.39Å; A23-Y48 HydrophobicContact CB-CE1 3.8Å; A23-Y48 HydrophobicContact CB-CE2 4.2Å; A23-Y48 HydrophobicContact CB-CG 4.28Å; A23-Y48 PolarHBondContact O-OH 3.39Å; A23-V51 HydrophobicContact CB-CG2 4.31Å |
| 24 | A | 98.4 | Very high | 96.7 | Very high | 62 Ų | 62 | 65.8 Ų | 65.8 | 51% | 0.512 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E20 D21 G28 | E20-A24 WeakPolarHBondContact O-CB 3.5Å; E20-A24 PolarHBondContact O-N 2.82Å; D21-A24 PolarHBondContact O-N 2.92Å; A24-G28 PolarHBondContact O-N 2.9Å; A24-G28 VanDerWaalsContact O-N 3.13Å |
| 25 | F | 98.5 | Very high | 96.5 | Very high | 50 Ų | 50 | 66.7 Ų | 66.7 | 22% | 0.219 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -66.9 | -44.2 | 175.9 | -62.7 | -43.3 | 0 | 0 | 0 | 111.9 | L6 K9 A10 A13 D21 M22 G28 A29 | L6-F25 HydrophobicContact CD2-CB 4.47Å; L6-F25 HydrophobicContact CD2-CD1 4.06Å; K9-F25 HydrophobicContact CB-CB 4.48Å; K9-F25 HydrophobicContact CB-CD1 4.02Å; K9-F25 HydrophobicContact CB-CD2 3.54Å; K9-F25 HydrophobicContact CB-CE1 4.13Å; K9-F25 HydrophobicContact CB-CE2 3.66Å; K9-F25 HydrophobicContact CB-CG 3.75Å; K9-F25 HydrophobicContact CB-CZ 3.96Å; K9-F25 HydrophobicContact CD-CD1 4.14Å; K9-F25 HydrophobicContact CD-CE1 3.74Å; K9-F25 HydrophobicContact CD-CE2 4.47Å; K9-F25 HydrophobicContact CD-CZ 3.92Å; K9-F25 HydrophobicContact CG-CZ 4.46Å; A10-F25 HydrophobicContact CB-CB 4.09Å; A13-F25 HydrophobicContact CB-CD2 4.29Å; A13-F25 HydrophobicContact CB-CE2 4.29Å; D21-F25 HydrophobicContact CB-CD2 4.38Å; D21-F25 HydrophobicContact CB-CE2 3.85Å; D21-F25 HydrophobicContact CB-CZ 4.45Å; D21-F25 WeakPolarHBondContact O-CD2 3.44Å; D21-F25 VanDerWaalsContact O-CG 3.27Å; D21-F25 WeakPolarHBondContact O-CG 3.47Å; D21-F25 PolarHBondContact O-N 2.99Å; M22-F25 PolarHBondContact O-N 3.16Å; F25-G28 PolarHBondContact O-N 3.06Å; F25-A29 PolarHBondContact O-N 2.9Å |
| 26 | M | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.9 | -39 | 178.1 | -72 | -53 | -58.1 | 0 | 0 | 112.2 | I7 A10 M22 A23 G28 A29 V30 L36 E40 L43 L44 | I7-M26 HydrophobicContact CD1-CE 3.72Å; I7-M26 HydrophobicContact CD1-SD 3.62Å; A10-M26 HydrophobicContact CB-CG 3.77Å; A10-M26 HydrophobicContact CB-SD 3.52Å; A10-M26 VanDerWaalsContact CB-SD 3.52Å; M22-M26 WeakPolarHBondContact O-CB 3.48Å; M22-M26 VanDerWaalsContact O-CG 3.31Å; M22-M26 WeakPolarHBondContact O-CG 3.45Å; M22-M26 PolarHBondContact O-N 2.62Å; A23-M26 PolarHBondContact O-N 3.43Å; M26-G28 PolarHBondContact O-N 3.17Å; M26-A29 PolarHBondContact O-N 3.17Å; M26-A29 VanDerWaalsContact O-N 3.14Å; M26-V30 WeakPolarHBondContact O-CG2 3.41Å; M26-V30 PolarHBondContact O-N 2.69Å; M26-L36 HydrophobicContact CE-CD1 4.47Å; M26-E40 HydrophobicContact CE-CB 4.41Å; M26-E40 WeakPolarHBondContact CE-O 3.32Å; M26-L43 HydrophobicContact CE-CB 4.19Å; M26-L43 HydrophobicContact SD-CB 3.98Å; M26-L44 HydrophobicContact CB-CD1 3.75Å; M26-L44 HydrophobicContact CE-CB 3.94Å |
| 27 | K | 98.1 | Very high | 96.2 | Very high | 71 Ų | 71 | 59.3 Ų | 59.3 | 31% | 0.309 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -53.7 | -53.4 | 170.5 | -179.3 | 169.6 | -179.2 | 176.9 | 0 | 111.2 | A23 A29 V30 E31 Y48 T98 L102 | A23-K27 VanDerWaalsContact O-CB 3.3Å; A23-K27 WeakPolarHBondContact O-CB 3.46Å; A23-K27 PolarHBondContact O-N 2.99Å; K27-A29 PolarHBondContact O-N 3.13Å; K27-V30 PolarHBondContact O-N 3.43Å; K27-E31 WeakPolarHBondContact CE-OE1 3.45Å; K27-E31 WeakPolarHBondContact O-CG 3.35Å; K27-E31 PolarHBondContact O-N 2.83Å; K27-Y48 WeakPolarHBondContact CB-OH 3.33Å; K27-T98 HydrophobicContact CD-CG2 3.88Å; K27-L102 HydrophobicContact CB-CD1 4.26Å; K27-L102 HydrophobicContact CG-CD1 4.08Å; K27-L102 HydrophobicContact CG-CD2 4.18Å |
| 28 | G | 97.6 | Very high | 96 | Very high | 17 Ų | 17 | 56 Ų | 56 | 18% | 0.175 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.3 | -29.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L6 A24 F25 M26 K32 | L6-G28 WeakPolarHBondContact CD1-O 3.36Å; A24-G28 PolarHBondContact O-N 2.9Å; A24-G28 VanDerWaalsContact O-N 3.13Å; F25-G28 PolarHBondContact O-N 3.06Å; M26-G28 PolarHBondContact O-N 3.17Å; G28-K32 WeakPolarHBondContact O-CG 3.48Å |
| 29 | A | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -75.2 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R3 L6 I7 F25 M26 K27 K32 | R3-A29 HydrophobicContact CG-CB 4.16Å; L6-A29 HydrophobicContact CB-CB 4.04Å; I7-A29 HydrophobicContact CD1-CB 3.57Å; I7-A29 HydrophobicContact CG1-CB 4.23Å; F25-A29 PolarHBondContact O-N 2.9Å; M26-A29 PolarHBondContact O-N 3.17Å; M26-A29 VanDerWaalsContact O-N 3.14Å; K27-A29 PolarHBondContact O-N 3.13Å; A29-K32 WeakPolarHBondContact O-CB 3.32Å; A29-K32 PolarHBondContact O-N 3.34Å |
| 30 | V | 97 | Very high | 95.7 | Very high | 3 Ų | 3 | 53.1 Ų | 53.1 | 2% | 0.018 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | M26 K27 K32 G33 L36 L44 L102 H106 L107 | M26-V30 WeakPolarHBondContact O-CG2 3.41Å; M26-V30 PolarHBondContact O-N 2.69Å; K27-V30 PolarHBondContact O-N 3.43Å; V30-K32 PolarHBondContact O-N 3.06Å; V30-G33 PolarHBondContact O-N 2.83Å; V30-L36 HydrophobicContact CG2-CD1 3.93Å; V30-L36 HydrophobicContact CG2-CD2 4.19Å; V30-L36 HydrophobicContact CG2-CG 4.4Å; V30-L44 HydrophobicContact CG2-CD1 4.19Å; V30-L44 HydrophobicContact CG2-CD2 4.37Å; V30-L102 HydrophobicContact CB-CD2 4.35Å; V30-L102 HydrophobicContact CG1-CB 4.46Å; V30-L102 HydrophobicContact CG1-CD2 3.95Å; V30-H106 HydrophobicContact CG1-CB 3.6Å; V30-L107 HydrophobicContact CG1-CD1 4.44Å; V30-L107 HydrophobicContact CG1-CD2 3.8Å; V30-L107 HydrophobicContact CG1-CG 3.95Å; V30-L107 HydrophobicContact CG2-CD2 3.96Å |
| 31 | E | 96.1 | Very high | 95.7 | Very high | 101 Ų | 101 | 48.1 Ų | 48.1 | 47% | 0.472 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.9 | 179 | -70.3 | 172.7 | 168.2 | 0 | 0 | 113.5 | K27 G33 L102 | K27-E31 WeakPolarHBondContact CE-OE1 3.45Å; K27-E31 WeakPolarHBondContact O-CG 3.35Å; K27-E31 PolarHBondContact O-N 2.83Å; E31-G33 VanDerWaalsContact C-N 3.31Å; E31-L102 HydrophobicContact CG-CD2 4.03Å |
| 32 | K | 93.8 | Very high | 95.6 | Very high | 121 Ų | 121 | 49.5 Ų | 49.5 | 53% | 0.526 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -9.9 | 170.6 | -62.5 | -63.9 | 175.6 | -170.9 | 0 | 113.9 | R3 G28 A29 V30 | R3-K32 HydrophobicContact CB-CB 4.3Å; R3-K32 HydrophobicContact CB-CG 4.16Å; R3-K32 HydrophobicContact CG-CB 4.37Å; G28-K32 WeakPolarHBondContact O-CG 3.48Å; A29-K32 WeakPolarHBondContact O-CB 3.32Å; A29-K32 PolarHBondContact O-N 3.34Å; V30-K32 PolarHBondContact O-N 3.06Å |
| 33 | G | 86.6 | Confident | 95.5 | Very high | 46 Ų | 46 | 50 Ų | 50 | 47% | 0.474 | 27% | 0.274 | S | S | . | . | trans | 79.5 | 23 | 169 | 0 | 0 | 0 | 0 | 0 | 115.6 | V30 E31 | V30-G33 PolarHBondContact O-N 2.83Å; E31-G33 VanDerWaalsContact C-N 3.31Å | ||
| 34 | E | 88.6 | Confident | 95.5 | Very high | 112 Ų | 112 | 49.7 Ų | 49.7 | 52% | 0.523 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -103.2 | 137.8 | 170.4 | -68.9 | 171.7 | -145.8 | 0 | 0 | 109.8 | R3 L36 | R3-E34 WeakPolarHBondContact CD-OE2 3.32Å; R3-E34 IonicContact CZ-OE2 3.26Å; R3-E34 IonicContact NE-OE2 2.7Å; R3-E34 PolarHBondContact NE-OE2 3.13Å; R3-E34 IonicContact NH1-OE2 3.91Å; R3-E34 PolarHBondContact NH1-OE2 2.99Å; E34-L36 PolarHBondContact O-N 3.21Å |
| 35 | E | 92.5 | Very high | 95.5 | Very high | 90 Ų | 90 | 48.4 Ų | 48.4 | 42% | 0.421 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 135.3 | 172.8 | -173.2 | 171.5 | -154.5 | 0 | 0 | 110.4 | R3 G112 | R3-E35 PolarHBondContact NH2-O 3.39Å; E35-G112 PolarHBondContact OE1-N 3.49Å |
| 36 | L | 95.4 | Very high | 95.5 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 132.2 | 178.5 | -59.2 | -171.3 | 0 | 0 | 0 | 110.1 | M26 V30 E34 E40 R41 L44 L107 | M26-L36 HydrophobicContact CE-CD1 4.47Å; V30-L36 HydrophobicContact CG2-CD1 3.93Å; V30-L36 HydrophobicContact CG2-CD2 4.19Å; V30-L36 HydrophobicContact CG2-CG 4.4Å; E34-L36 PolarHBondContact O-N 3.21Å; L36-E40 HydrophobicContact CB-CB 3.98Å; L36-E40 HydrophobicContact CD2-CB 4.12Å; L36-E40 HydrophobicContact CG-CB 4.44Å; L36-R41 HydrophobicContact CB-CB 4.24Å; L36-L44 HydrophobicContact CD1-CB 4.24Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; L36-L107 HydrophobicContact CD1-CD2 3.78Å; L36-L107 HydrophobicContact CG-CD2 3.99Å |
| 37 | S | 95 | Very high | 95.5 | Very high | 55 Ų | 55 | 48.3 Ų | 48.3 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 164 | 163.4 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | E39 E40 R41 | S37-E39 PolarHBondContact O-N 3.41Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 2.94Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.46Å; S37-E40 PolarHBondContact OG-N 3.18Å; S37-E40 PolarHBondContact OG-OE2 2.8Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 2.66Å |
| 38 | C | 92.6 | Very high | 95.5 | Very high | 71 Ų | 71 | 45.4 Ų | 45.4 | 48% | 0.48 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -53.8 | -39.4 | 176.1 | -65.5 | 0 | 0 | 0 | 0 | 113 | N42 | C38-N42 WeakPolarHBondContact O-CB 3.49Å; C38-N42 PolarHBondContact O-N 2.97Å; C38-N42 PolarHBondContact O-ND2 3.49Å |
| 39 | E | 95.3 | Very high | 95.5 | Very high | 110 Ų | 110 | 51 Ų | 51 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.3 | -48.3 | 176.9 | -170.8 | -171.8 | -163.5 | 0 | 0 | 111.2 | K11 S37 R41 N42 L43 | K11-E39 WeakPolarHBondContact CE-OE1 3.44Å; K11-E39 IonicContact NZ-OE1 2.95Å; K11-E39 PolarHBondContact NZ-OE1 2.98Å; K11-E39 IonicContact NZ-OE2 2.65Å; K11-E39 PolarHBondContact NZ-OE2 3.29Å; S37-E39 PolarHBondContact O-N 3.41Å; E39-R41 PolarHBondContact O-N 3.33Å; E39-N42 PolarHBondContact O-N 3.47Å; E39-L43 WeakPolarHBondContact O-CG 3.41Å; E39-L43 PolarHBondContact O-N 2.83Å |
| 40 | E | 96.9 | Very high | 95.6 | Very high | 24 Ų | 24 | 54 Ų | 54 | 11% | 0.112 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.3 | -37.6 | -179.6 | -66.5 | 163.7 | 149.2 | 0 | 0 | 112.1 | R3 I7 M26 L36 S37 N42 L43 L44 | R3-E40 IonicContact CZ-OE1 3.68Å; R3-E40 IonicContact CZ-OE2 2.75Å; R3-E40 IonicContact NH1-OE1 2.67Å; R3-E40 PolarHBondContact NH1-OE1 3.35Å; R3-E40 IonicContact NH1-OE2 3.53Å; R3-E40 IonicContact NH2-OE1 3.13Å; R3-E40 PolarHBondContact NH2-OE1 2.96Å; R3-E40 IonicContact NH2-OE2 2.66Å; R3-E40 PolarHBondContact NH2-OE2 3.23Å; I7-E40 HydrophobicContact CD1-CB 4.39Å; I7-E40 HydrophobicContact CD1-CG 3.93Å; I7-E40 HydrophobicContact CG1-CG 4.26Å; I7-E40 HydrophobicContact CG2-CG 4.14Å; M26-E40 HydrophobicContact CE-CB 4.41Å; M26-E40 WeakPolarHBondContact CE-O 3.32Å; L36-E40 HydrophobicContact CB-CB 3.98Å; L36-E40 HydrophobicContact CD2-CB 4.12Å; L36-E40 HydrophobicContact CG-CB 4.44Å; S37-E40 PolarHBondContact N-OE2 3.03Å; S37-E40 PolarHBondContact O-N 2.94Å; S37-E40 VanDerWaalsContact O-N 3.11Å; S37-E40 VanDerWaalsContact OG-CG 3.24Å; S37-E40 WeakPolarHBondContact OG-CG 3.46Å; S37-E40 PolarHBondContact OG-N 3.18Å; S37-E40 PolarHBondContact OG-OE2 2.8Å; E40-N42 VanDerWaalsContact C-N 3.34Å; E40-L43 WeakPolarHBondContact O-CB 3.36Å; E40-L43 PolarHBondContact O-N 3.46Å; E40-L44 PolarHBondContact O-N 3.08Å |
| 41 | R | 96.8 | Very high | 95.6 | Very high | 11 Ų | 11 | 54.5 Ų | 54.5 | 4% | 0.042 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 173.6 | -177.7 | -179.2 | 74.2 | -164.1 | -0.3 | 111.4 | L36 S37 E39 L44 S45 S116 F119 Y120 | L36-R41 HydrophobicContact CB-CB 4.24Å; S37-R41 VanDerWaalsContact O-CB 3.31Å; S37-R41 WeakPolarHBondContact O-CB 3.49Å; S37-R41 PolarHBondContact O-N 2.66Å; E39-R41 PolarHBondContact O-N 3.33Å; R41-L44 PolarHBondContact O-N 2.98Å; R41-S45 PolarHBondContact O-N 3.39Å; R41-S45 VanDerWaalsContact O-N 3.07Å; R41-S116 PolarHBondContact NH1-OG 3.47Å; R41-F119 VanDerWaalsContact CD-CD1 3.44Å; R41-F119 HydrophobicContact CG-CD1 3.53Å; R41-F119 HydrophobicContact CG-CD2 4.43Å; R41-F119 HydrophobicContact CG-CE1 3.33Å; R41-F119 HydrophobicContact CG-CE2 4.24Å; R41-F119 HydrophobicContact CG-CG 4.09Å; R41-F119 HydrophobicContact CG-CZ 3.7Å; R41-Y120 HydrophobicContact CG-CE1 3.74Å |
| 42 | N | 95.5 | Very high | 95.7 | Very high | 83 Ų | 83 | 49.8 Ų | 49.8 | 44% | 0.444 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.9 | -41.9 | 175.3 | -72.8 | -13.5 | 0 | 0 | 0 | 111.5 | C38 E39 E40 L44 S45 V46 | C38-N42 WeakPolarHBondContact O-CB 3.49Å; C38-N42 PolarHBondContact O-N 2.97Å; C38-N42 PolarHBondContact O-ND2 3.49Å; E39-N42 PolarHBondContact O-N 3.47Å; E40-N42 VanDerWaalsContact C-N 3.34Å; N42-L44 PolarHBondContact O-N 3.39Å; N42-S45 PolarHBondContact O-N 3.36Å; N42-V46 WeakPolarHBondContact O-CG2 3.34Å; N42-V46 PolarHBondContact O-N 3.35Å |
| 43 | L | 97.8 | Very high | 95.9 | Very high | 9 Ų | 9 | 45.3 Ų | 45.3 | 5% | 0.047 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 173.8 | -72.4 | 169.9 | 0 | 0 | 0 | 111.7 | I7 K11 E14 M22 M26 E39 E40 S45 V46 A47 | I7-L43 HydrophobicContact CG2-CD1 4.3Å; K11-L43 HydrophobicContact CD-CD1 4.44Å; K11-L43 HydrophobicContact CG-CD1 3.75Å; K11-L43 HydrophobicContact CG-CD2 4.24Å; E14-L43 VanDerWaalsContact OE2-CD2 3.25Å; E14-L43 WeakPolarHBondContact OE2-CD2 3.45Å; M22-L43 HydrophobicContact CE-CB 3.9Å; M22-L43 HydrophobicContact CE-CD2 3.5Å; M22-L43 HydrophobicContact CE-CG 4.33Å; M22-L43 WeakPolarHBondContact CE-O 3.3Å; M26-L43 HydrophobicContact CE-CB 4.19Å; M26-L43 HydrophobicContact SD-CB 3.98Å; E39-L43 WeakPolarHBondContact O-CG 3.41Å; E39-L43 PolarHBondContact O-N 2.83Å; E40-L43 WeakPolarHBondContact O-CB 3.36Å; E40-L43 PolarHBondContact O-N 3.46Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.34Å; L43-V46 PolarHBondContact O-N 2.69Å; L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 2.87Å |
| 44 | L | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56.3 | -46.6 | 176.4 | -179.9 | 74.2 | 0 | 0 | 0 | 111.3 | M26 V30 L36 E40 R41 N42 A47 Y48 L107 | M26-L44 HydrophobicContact CB-CD1 3.75Å; M26-L44 HydrophobicContact CE-CB 3.94Å; V30-L44 HydrophobicContact CG2-CD1 4.19Å; V30-L44 HydrophobicContact CG2-CD2 4.37Å; L36-L44 HydrophobicContact CD1-CB 4.24Å; L36-L44 HydrophobicContact CD1-CD2 3.98Å; E40-L44 PolarHBondContact O-N 3.08Å; R41-L44 PolarHBondContact O-N 2.98Å; N42-L44 PolarHBondContact O-N 3.39Å; L44-A47 PolarHBondContact O-N 3.34Å; L44-Y48 HydrophobicContact CD1-CD2 3.68Å; L44-Y48 HydrophobicContact CD1-CE2 3.5Å; L44-Y48 VanDerWaalsContact CD1-CE2 3.5Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.41Å; L44-Y48 PolarHBondContact O-N 3.37Å; L44-L107 HydrophobicContact CD2-CD1 3.42Å; L44-L107 VanDerWaalsContact CD2-CD1 3.42Å; L44-L107 HydrophobicContact CD2-CD2 4.3Å |
| 45 | S | 97.8 | Very high | 96.9 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 24% | 0.238 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.6 | -48.1 | -179.9 | -177.4 | 0 | 0 | 0 | 0 | 112 | R41 N42 L43 A47 K49 | R41-S45 PolarHBondContact O-N 3.39Å; R41-S45 VanDerWaalsContact O-N 3.07Å; N42-S45 PolarHBondContact O-N 3.36Å; L43-S45 VanDerWaalsContact C-N 3.3Å; L43-S45 PolarHBondContact O-N 3.34Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.99Å; S45-K49 WeakPolarHBondContact O-CB 3.48Å; S45-K49 PolarHBondContact O-N 3.26Å |
| 46 | V | 98.2 | Very high | 97.2 | Very high | 48 Ų | 48 | 38.8 Ų | 38.8 | 29% | 0.291 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 177.3 | 169.4 | 0 | 0 | 0 | 0 | 111.1 | Y19 M22 N42 L43 N50 | Y19-V46 HydrophobicContact CE1-CG1 4.31Å; M22-V46 HydrophobicContact CE-CB 4.18Å; M22-V46 HydrophobicContact CE-CG1 4.12Å; M22-V46 HydrophobicContact SD-CG1 4.32Å; N42-V46 WeakPolarHBondContact O-CG2 3.34Å; N42-V46 PolarHBondContact O-N 3.35Å; L43-V46 PolarHBondContact O-N 2.69Å; V46-N50 PolarHBondContact O-N 2.99Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.47Å |
| 47 | A | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.6 | -61.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M22 A23 L43 L44 S45 K49 N50 V51 | M22-A47 HydrophobicContact CB-CB 3.93Å; M22-A47 HydrophobicContact CE-CB 4.08Å; M22-A47 HydrophobicContact CG-CB 3.57Å; M22-A47 VanDerWaalsContact SD-CA 3.59Å; M22-A47 HydrophobicContact SD-CB 3.56Å; M22-A47 VanDerWaalsContact SD-CB 3.56Å; A23-A47 HydrophobicContact CB-CB 4.23Å; L43-A47 WeakPolarHBondContact O-CB 3.47Å; L43-A47 PolarHBondContact O-N 2.87Å; L44-A47 PolarHBondContact O-N 3.34Å; S45-A47 VanDerWaalsContact C-N 3.34Å; S45-A47 PolarHBondContact O-N 2.99Å; A47-K49 PolarHBondContact O-N 2.92Å; A47-N50 PolarHBondContact O-N 3.44Å; A47-V51 WeakPolarHBondContact O-CG2 3.24Å; A47-V51 PolarHBondContact O-N 2.87Å |
| 48 | Y | 98.6 | Very high | 97.5 | Very high | 11 Ų | 11 | 40.2 Ų | 40.2 | 4% | 0.043 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.8 | -31.4 | -174.5 | -75.8 | -77.7 | 0 | 0 | 0 | 112.8 | A23 K27 L44 N50 V51 V52 V95 T98 V99 L102 Y127 | A23-Y48 HydrophobicContact CB-CD1 3.97Å; A23-Y48 HydrophobicContact CB-CD2 4.39Å; A23-Y48 HydrophobicContact CB-CE1 3.8Å; A23-Y48 HydrophobicContact CB-CE2 4.2Å; A23-Y48 HydrophobicContact CB-CG 4.28Å; A23-Y48 PolarHBondContact O-OH 3.39Å; K27-Y48 WeakPolarHBondContact CB-OH 3.33Å; L44-Y48 HydrophobicContact CD1-CD2 3.68Å; L44-Y48 HydrophobicContact CD1-CE2 3.5Å; L44-Y48 VanDerWaalsContact CD1-CE2 3.5Å; L44-Y48 HydrophobicContact CG-CD2 4.24Å; L44-Y48 HydrophobicContact CG-CE2 4.5Å; L44-Y48 WeakPolarHBondContact O-CD2 3.41Å; L44-Y48 PolarHBondContact O-N 3.37Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.43Å; Y48-V51 PolarHBondContact O-N 3.02Å; Y48-V52 VanDerWaalsContact O-CG1 3.3Å; Y48-V52 WeakPolarHBondContact O-CG1 3.42Å; Y48-V52 PolarHBondContact O-N 2.97Å; Y48-V95 HydrophobicContact CD1-CG1 4.06Å; Y48-T98 HydrophobicContact CE1-CG2 4.13Å; Y48-T98 WeakPolarHBondContact OH-CG2 3.5Å; Y48-V99 HydrophobicContact CD1-CG2 3.28Å; Y48-V99 HydrophobicContact CD2-CG2 3.91Å; Y48-V99 HydrophobicContact CE1-CG2 3.63Å; Y48-V99 HydrophobicContact CE2-CG2 4.23Å; Y48-V99 HydrophobicContact CG-CG2 3.41Å; Y48-V99 VanDerWaalsContact CG-CG2 3.41Å; Y48-L102 HydrophobicContact CE2-CD1 4.19Å; Y48-Y127 WeakPolarHBondContact CB-OH 3.45Å; Y48-Y127 PolarHBondContact O-OH 3.49Å |
| 49 | K | 97.9 | Very high | 97.7 | Very high | 133 Ų | 133 | 38.7 Ų | 38.7 | 58% | 0.578 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -59.7 | -41.5 | 175 | -179.6 | -176.2 | 175.9 | -173.3 | 0 | 111.6 | S45 A47 G53 Y127 | S45-K49 WeakPolarHBondContact O-CB 3.48Å; S45-K49 PolarHBondContact O-N 3.26Å; A47-K49 PolarHBondContact O-N 2.92Å; K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.37Å; K49-Y127 PolarHBondContact N-OH 2.79Å |
| 50 | N | 98.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 38.5 Ų | 38.5 | 34% | 0.342 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -70.6 | -44 | 178.5 | -80.8 | -72.9 | 0 | 0 | 0 | 111.9 | Y19 V46 A47 Y48 G53 G54 | Y19-N50 HydrophobicContact CD1-CB 3.56Å; Y19-N50 HydrophobicContact CD2-CB 3.5Å; Y19-N50 HydrophobicContact CE1-CB 3.93Å; Y19-N50 WeakPolarHBondContact CE1-ND2 3.47Å; Y19-N50 HydrophobicContact CE2-CB 3.87Å; Y19-N50 HydrophobicContact CG-CB 3.32Å; V46-N50 PolarHBondContact O-N 2.99Å; V46-N50 VanDerWaalsContact O-N 3.15Å; V46-N50 PolarHBondContact O-ND2 3.47Å; A47-N50 PolarHBondContact O-N 3.44Å; Y48-N50 VanDerWaalsContact C-N 3.31Å; Y48-N50 PolarHBondContact O-N 3.43Å; N50-G53 PolarHBondContact O-N 3.34Å; N50-G54 PolarHBondContact O-N 3Å |
| 51 | V | 98.3 | Very high | 97.9 | Very high | 14 Ų | 14 | 41.5 Ų | 41.5 | 9% | 0.085 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.1 | -53.7 | 177.2 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | Y19 E20 A23 A47 Y48 G53 G54 Q55 V95 | Y19-V51 WeakPolarHBondContact O-CG2 3.47Å; E20-V51 HydrophobicContact CG-CG2 4.27Å; A23-V51 HydrophobicContact CB-CG2 4.31Å; A47-V51 WeakPolarHBondContact O-CG2 3.24Å; A47-V51 PolarHBondContact O-N 2.87Å; Y48-V51 PolarHBondContact O-N 3.02Å; V51-G53 VanDerWaalsContact C-N 3.29Å; V51-G53 PolarHBondContact O-N 3.44Å; V51-G54 PolarHBondContact O-N 3.44Å; V51-Q55 WeakPolarHBondContact O-CG 2.99Å; V51-Q55 PolarHBondContact O-N 3.25Å; V51-V95 HydrophobicContact CG1-CG1 4.16Å; V51-V95 HydrophobicContact CG1-CG2 3.72Å |
| 52 | V | 98.3 | Very high | 97.9 | Very high | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.006 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67.9 | -31.7 | -179.8 | 78.1 | 0 | 0 | 0 | 0 | 111.9 | Y48 Q55 R56 L92 V95 Y127 Y130 | Y48-V52 VanDerWaalsContact O-CG1 3.3Å; Y48-V52 WeakPolarHBondContact O-CG1 3.42Å; Y48-V52 PolarHBondContact O-N 2.97Å; V52-Q55 PolarHBondContact O-N 3.45Å; V52-R56 HydrophobicContact CG2-CG 4.43Å; V52-R56 WeakPolarHBondContact O-CB 3.48Å; V52-R56 VanDerWaalsContact O-CG 3.25Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 3.16Å; V52-L92 HydrophobicContact CG2-CG 4.28Å; V52-V95 HydrophobicContact CB-CG1 4.09Å; V52-V95 HydrophobicContact CG2-CG1 4.47Å; V52-Y127 HydrophobicContact CB-CE1 4.12Å; V52-Y127 HydrophobicContact CG1-CE1 4.01Å; V52-Y127 HydrophobicContact CG2-CE1 4.29Å; V52-Y130 HydrophobicContact CB-CD2 4.5Å; V52-Y130 HydrophobicContact CG1-CD2 3.88Å; V52-Y130 HydrophobicContact CG1-CE2 3.71Å; V52-Y130 HydrophobicContact CG2-CD2 3.82Å; V52-Y130 HydrophobicContact CG2-CG 4.35Å |
| 53 | G | 97.9 | Very high | 97.9 | Very high | 28 Ų | 28 | 39.2 Ų | 39.2 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | K49 N50 V51 R56 A57 | K49-G53 WeakPolarHBondContact O-CA 3.49Å; K49-G53 PolarHBondContact O-N 3.37Å; N50-G53 PolarHBondContact O-N 3.34Å; V51-G53 VanDerWaalsContact C-N 3.29Å; V51-G53 PolarHBondContact O-N 3.44Å; G53-R56 PolarHBondContact O-N 2.86Å; G53-A57 WeakPolarHBondContact O-CB 3.46Å; G53-A57 PolarHBondContact O-N 2.96Å |
| 54 | G | 97.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 47% | 0.474 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.3 | -45.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | N50 V51 A57 A58 | N50-G54 PolarHBondContact O-N 3Å; V51-G54 PolarHBondContact O-N 3.44Å; G54-A57 PolarHBondContact O-N 3.21Å; G54-A58 PolarHBondContact O-N 3.1Å |
| 55 | Q | 98 | Very high | 97.6 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 178.4 | -65.3 | -64.7 | -4.6 | 0 | 0 | 112.4 | V51 V52 A57 A58 W59 V88 E91 L92 | V51-Q55 WeakPolarHBondContact O-CG 2.99Å; V51-Q55 PolarHBondContact O-N 3.25Å; V52-Q55 PolarHBondContact O-N 3.45Å; Q55-A57 PolarHBondContact O-N 3.2Å; Q55-A58 PolarHBondContact O-N 2.85Å; Q55-W59 WeakPolarHBondContact O-CB 3.42Å; Q55-W59 PolarHBondContact O-N 3.16Å; Q55-V88 VanDerWaalsContact O-CG1 3.32Å; Q55-V88 WeakPolarHBondContact O-CG1 3.47Å; Q55-E91 PolarHBondContact NE2-OE2 3.47Å; Q55-E91 PolarHBondContact OE1-OE2 3.28Å; Q55-L92 HydrophobicContact CB-CB 4.09Å; Q55-L92 HydrophobicContact CB-CD1 4.46Å; Q55-L92 HydrophobicContact CB-CG 4.48Å |
| 56 | R | 98.1 | Very high | 97.3 | Very high | 29 Ų | 29 | 44 Ų | 44 | 11% | 0.109 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -40.7 | 176.2 | -72.2 | 174.8 | 72.3 | -132.3 | 8.6 | 112.6 | V52 G53 W59 R60 L92 Y130 E133 | V52-R56 HydrophobicContact CG2-CG 4.43Å; V52-R56 WeakPolarHBondContact O-CB 3.48Å; V52-R56 VanDerWaalsContact O-CG 3.25Å; V52-R56 WeakPolarHBondContact O-CG 3.47Å; V52-R56 PolarHBondContact O-N 3.16Å; G53-R56 PolarHBondContact O-N 2.86Å; R56-W59 PolarHBondContact O-N 2.81Å; R56-R60 VanDerWaalsContact O-CG 3.3Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.24Å; R56-L92 HydrophobicContact CB-CD1 4.46Å; R56-L92 HydrophobicContact CG-CD1 3.49Å; R56-L92 VanDerWaalsContact CG-CD1 3.49Å; R56-Y130 VanDerWaalsContact NE-CD1 3.34Å; R56-E133 IonicContact CZ-OE2 2.79Å; R56-E133 IonicContact NE-OE2 3.68Å; R56-E133 PolarHBondContact NE-OE2 3.01Å; R56-E133 IonicContact NH2-OE1 2.79Å; R56-E133 IonicContact NH2-OE2 3.69Å; R56-E133 PolarHBondContact NH2-OE2 3.08Å |
| 57 | A | 98.3 | Very high | 97 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 45% | 0.446 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | G53 G54 Q55 W59 R60 V61 | G53-A57 WeakPolarHBondContact O-CB 3.46Å; G53-A57 PolarHBondContact O-N 2.96Å; G54-A57 PolarHBondContact O-N 3.21Å; Q55-A57 PolarHBondContact O-N 3.2Å; A57-W59 VanDerWaalsContact C-N 3.35Å; A57-W59 PolarHBondContact O-N 3.1Å; A57-R60 PolarHBondContact O-N 3.08Å; A57-V61 WeakPolarHBondContact O-CG2 3.33Å; A57-V61 PolarHBondContact O-N 3.22Å |
| 58 | A | 98.2 | Very high | 96.6 | Very high | 37 Ų | 37 | 52.8 Ų | 52.8 | 31% | 0.306 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -46.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | G54 Q55 R60 V61 L62 V88 | G54-A58 PolarHBondContact O-N 3.1Å; Q55-A58 PolarHBondContact O-N 2.85Å; A58-R60 PolarHBondContact O-N 3.32Å; A58-V61 PolarHBondContact O-N 2.98Å; A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.27Å; A58-V88 HydrophobicContact CB-CG1 4.13Å; A58-V88 HydrophobicContact CB-CG2 4.41Å |
| 59 | W | 98.3 | Very high | 96.1 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 15% | 0.148 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.3 | -50.1 | 178.6 | -178.1 | 79.9 | 0 | 0 | 0 | 112.2 | Q55 R56 A57 V61 L62 S63 V88 E89 E133 V134 | Q55-W59 WeakPolarHBondContact O-CB 3.42Å; Q55-W59 PolarHBondContact O-N 3.16Å; R56-W59 PolarHBondContact O-N 2.81Å; A57-W59 VanDerWaalsContact C-N 3.35Å; A57-W59 PolarHBondContact O-N 3.1Å; W59-V61 VanDerWaalsContact C-N 3.31Å; W59-V61 PolarHBondContact O-N 3.31Å; W59-L62 PolarHBondContact O-N 3.48Å; W59-L62 VanDerWaalsContact O-N 3.17Å; W59-S63 VanDerWaalsContact CE2-OG 3.31Å; W59-S63 WeakPolarHBondContact CZ2-OG 3.25Å; W59-S63 WeakPolarHBondContact O-CB 3.48Å; W59-S63 PolarHBondContact O-N 2.88Å; W59-S63 PolarHBondContact O-OG 3.32Å; W59-S63 VanDerWaalsContact O-OG 3.06Å; W59-V88 HydrophobicContact CB-CG1 3.81Å; W59-E89 PolarHBondContact NE1-OE1 3.34Å; W59-E133 HydrophobicContact CE3-CG 4.48Å; W59-E133 HydrophobicContact CH2-CG 4.43Å; W59-E133 WeakPolarHBondContact CH2-O 3.3Å; W59-E133 HydrophobicContact CZ3-CG 3.88Å; W59-V134 HydrophobicContact CD2-CG1 3.61Å; W59-V134 HydrophobicContact CE3-CG1 4.01Å; W59-V134 HydrophobicContact CG-CG1 3.95Å; W59-V134 HydrophobicContact CH2-CG1 4.34Å; W59-V134 HydrophobicContact CZ2-CB 4.19Å; W59-V134 HydrophobicContact CZ2-CG1 3.97Å; W59-V134 HydrophobicContact CZ3-CG1 4.36Å |
| 60 | R | 97.9 | Very high | 95.5 | Very high | 105 Ų | 105 | 50.5 Ų | 50.5 | 40% | 0.396 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -40.2 | 179.8 | -71.1 | 172.8 | -176.6 | 162.8 | -20.1 | 112.9 | R56 A57 A58 S64 E133 | R56-R60 VanDerWaalsContact O-CG 3.3Å; R56-R60 WeakPolarHBondContact O-CG 3.45Å; R56-R60 PolarHBondContact O-N 3.24Å; A57-R60 PolarHBondContact O-N 3.08Å; A58-R60 PolarHBondContact O-N 3.32Å; R60-S64 WeakPolarHBondContact O-CB 3.01Å; R60-S64 PolarHBondContact O-N 3.13Å; R60-E133 IonicContact CZ-OE1 3.35Å; R60-E133 IonicContact NE-OE1 2.8Å; R60-E133 PolarHBondContact NE-OE1 3.44Å; R60-E133 IonicContact NH2-OE1 3.71Å; R60-E133 PolarHBondContact NH2-OE1 3.17Å; R60-E133 IonicContact NH2-OE2 3.45Å |
| 61 | V | 97.7 | Very high | 94.9 | Very high | 87 Ų | 87 | 54 Ų | 54 | 53% | 0.527 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.8 | -47.7 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | A57 A58 W59 S64 I65 | A57-V61 WeakPolarHBondContact O-CG2 3.33Å; A57-V61 PolarHBondContact O-N 3.22Å; A58-V61 PolarHBondContact O-N 2.98Å; W59-V61 VanDerWaalsContact C-N 3.31Å; W59-V61 PolarHBondContact O-N 3.31Å; V61-S64 PolarHBondContact O-N 3.22Å; V61-I65 HydrophobicContact CG1-CD1 3.81Å; V61-I65 HydrophobicContact CG1-CG1 4.49Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.45Å; V61-I65 PolarHBondContact O-N 3.45Å |
| 62 | L | 97.1 | Very high | 94.3 | Very high | 18 Ų | 18 | 60.9 Ų | 60.9 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -42.4 | 179.6 | -67.9 | 168.7 | 0 | 0 | 0 | 112.1 | A58 W59 S64 I65 E66 Y84 R85 V88 | A58-L62 WeakPolarHBondContact O-CG 3.45Å; A58-L62 PolarHBondContact O-N 3.27Å; W59-L62 PolarHBondContact O-N 3.48Å; W59-L62 VanDerWaalsContact O-N 3.17Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.46Å; L62-I65 PolarHBondContact O-N 3.38Å; L62-E66 PolarHBondContact O-N 2.91Å; L62-Y84 HydrophobicContact CD1-CD1 3.84Å; L62-Y84 HydrophobicContact CD1-CE1 4.16Å; L62-Y84 HydrophobicContact CD1-CG 4.18Å; L62-Y84 HydrophobicContact CD2-CD1 3.57Å; L62-Y84 HydrophobicContact CD2-CE1 4.13Å; L62-Y84 HydrophobicContact CD2-CG 4.42Å; L62-Y84 HydrophobicContact CG-CD1 4.37Å; L62-R85 HydrophobicContact CB-CB 3.99Å; L62-R85 HydrophobicContact CB-CG 4.33Å; L62-V88 HydrophobicContact CD1-CB 4.33Å; L62-V88 HydrophobicContact CD1-CG2 3.74Å |
| 63 | S | 95.2 | Very high | 93.2 | Very high | 29 Ų | 29 | 63.5 Ų | 63.5 | 20% | 0.203 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.3 | -41.3 | 173.8 | -61.6 | 0 | 0 | 0 | 0 | 112 | W59 E66 Q67 R85 | W59-S63 VanDerWaalsContact CE2-OG 3.31Å; W59-S63 WeakPolarHBondContact CZ2-OG 3.25Å; W59-S63 WeakPolarHBondContact O-CB 3.48Å; W59-S63 PolarHBondContact O-N 2.88Å; W59-S63 PolarHBondContact O-OG 3.32Å; W59-S63 VanDerWaalsContact O-OG 3.06Å; S63-E66 PolarHBondContact O-N 3.28Å; S63-Q67 WeakPolarHBondContact O-CB 3.31Å; S63-Q67 PolarHBondContact O-N 2.88Å; S63-R85 WeakPolarHBondContact OG-CD 3.23Å |
| 64 | S | 95.2 | Very high | 92.1 | Very high | 49 Ų | 49 | 63.9 Ų | 63.9 | 34% | 0.343 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 176.3 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | R60 V61 L62 K68 | R60-S64 WeakPolarHBondContact O-CB 3.01Å; R60-S64 PolarHBondContact O-N 3.13Å; V61-S64 PolarHBondContact O-N 3.22Å; L62-S64 VanDerWaalsContact C-N 3.31Å; L62-S64 PolarHBondContact O-N 3.46Å; S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.42Å; S64-K68 VanDerWaalsContact O-N 3.16Å |
| 65 | I | 94.4 | Very high | 90.8 | Very high | 79 Ų | 79 | 70.2 Ų | 70.2 | 41% | 0.405 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.3 | -45 | 175.4 | -65.7 | 166.3 | 0 | 0 | 0 | 110.2 | V61 L62 Q67 K68 S69 V81 | V61-I65 HydrophobicContact CG1-CD1 3.81Å; V61-I65 HydrophobicContact CG1-CG1 4.49Å; V61-I65 VanDerWaalsContact O-CG1 3.31Å; V61-I65 WeakPolarHBondContact O-CG1 3.45Å; V61-I65 PolarHBondContact O-N 3.45Å; L62-I65 PolarHBondContact O-N 3.38Å; I65-Q67 PolarHBondContact O-N 2.84Å; I65-K68 PolarHBondContact O-N 3.43Å; I65-S69 WeakPolarHBondContact O-CB 3.27Å; I65-S69 PolarHBondContact O-N 3.31Å; I65-S69 PolarHBondContact O-OG 2.91Å; I65-V81 HydrophobicContact CB-CG1 4.14Å; I65-V81 HydrophobicContact CG2-CG1 3.91Å; I65-V81 HydrophobicContact CG2-CG2 3.88Å |
| 66 | E | 92.1 | Very high | 89.8 | Confident | 16 Ų | 16 | 76.7 Ų | 76.7 | 8% | 0.075 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 178.3 | -171.3 | -179.4 | -177.4 | 0 | 0 | 110.4 | L62 S63 K68 S69 N70 V81 R82 R85 | L62-E66 PolarHBondContact O-N 2.91Å; S63-E66 PolarHBondContact O-N 3.28Å; E66-K68 PolarHBondContact O-N 2.75Å; E66-S69 WeakPolarHBondContact CA-OG 3.31Å; E66-S69 PolarHBondContact O-N 2.75Å; E66-S69 PolarHBondContact O-OG 3.14Å; E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.88Å; E66-N70 PolarHBondContact O-ND2 3.15Å; E66-V81 HydrophobicContact CB-CG1 3.85Å; E66-R82 IonicContact OE1-CZ 3.45Å; E66-R82 IonicContact OE1-NE 2.82Å; E66-R82 PolarHBondContact OE1-NE 2.67Å; E66-R82 IonicContact OE1-NH2 3.17Å; E66-R82 PolarHBondContact OE1-NH2 3.29Å; E66-R82 VanDerWaalsContact OE1-NH2 3.17Å; E66-R85 IonicContact OE1-NH2 3.74Å; E66-R85 IonicContact OE2-CZ 3.27Å; E66-R85 VanDerWaalsContact OE2-CZ 3.27Å; E66-R85 IonicContact OE2-NE 2.69Å; E66-R85 PolarHBondContact OE2-NE 3.21Å; E66-R85 IonicContact OE2-NH2 2.99Å; E66-R85 PolarHBondContact OE2-NH2 3.42Å |
| 67 | Q | 91 | Very high | 88.8 | Confident | 115 Ų | 115 | 81.8 Ų | 81.8 | 54% | 0.537 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.6 | -50.6 | 178.6 | -176.3 | -177.1 | -14.2 | 0 | 0 | 111.9 | S63 I65 S69 N70 E71 | S63-Q67 WeakPolarHBondContact O-CB 3.31Å; S63-Q67 PolarHBondContact O-N 2.88Å; I65-Q67 PolarHBondContact O-N 2.84Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 3.47Å; Q67-N70 PolarHBondContact O-N 3.16Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.44Å; Q67-E71 PolarHBondContact NE2-OE1 3.42Å; Q67-E71 WeakPolarHBondContact O-CG 3.4Å; Q67-E71 PolarHBondContact O-N 3.36Å |
| 68 | K | 91.1 | Very high | 88.2 | Confident | 118 Ų | 118 | 79.4 Ų | 79.4 | 51% | 0.513 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 178 | -70.3 | 173.5 | -176.6 | 174.5 | 0 | 112.3 | S64 I65 E66 N70 E71 E72 | S64-K68 WeakPolarHBondContact O-CG 3.35Å; S64-K68 PolarHBondContact O-N 3.42Å; S64-K68 VanDerWaalsContact O-N 3.16Å; I65-K68 PolarHBondContact O-N 3.43Å; E66-K68 PolarHBondContact O-N 2.75Å; K68-N70 VanDerWaalsContact C-N 3.25Å; K68-N70 PolarHBondContact O-N 3.43Å; K68-E71 PolarHBondContact O-N 2.7Å; K68-E72 WeakPolarHBondContact O-CG 3.44Å; K68-E72 PolarHBondContact O-N 2.7Å |
| 69 | S | 87.3 | Confident | 87.8 | Confident | 7 Ų | 7 | 81.5 Ų | 81.5 | 5% | 0.049 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.6 | -34.6 | 178.9 | 77.5 | 0 | 0 | 0 | 0 | 112.4 | I65 E66 Q67 G73 S74 | I65-S69 WeakPolarHBondContact O-CB 3.27Å; I65-S69 PolarHBondContact O-N 3.31Å; I65-S69 PolarHBondContact O-OG 2.91Å; E66-S69 WeakPolarHBondContact CA-OG 3.31Å; E66-S69 PolarHBondContact O-N 2.75Å; E66-S69 PolarHBondContact O-OG 3.14Å; Q67-S69 VanDerWaalsContact C-N 3.33Å; Q67-S69 PolarHBondContact O-N 3.47Å; S69-G73 PolarHBondContact O-N 2.84Å; S69-S74 VanDerWaalsContact CA-OG 3.26Å; S69-S74 WeakPolarHBondContact CA-OG 3.4Å; S69-S74 VanDerWaalsContact CB-OG 3.31Å; S69-S74 WeakPolarHBondContact CB-OG 3.36Å; S69-S74 PolarHBondContact O-N 3.25Å; S69-S74 PolarHBondContact O-OG 2.84Å |
| 70 | N | 85.2 | Confident | 87.5 | Confident | 90 Ų | 90 | 86.4 Ų | 86.4 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -74.8 | -39.3 | 176.5 | -67.9 | -29 | 0 | 0 | 0 | 111.6 | E66 Q67 K68 E72 G73 | E66-N70 VanDerWaalsContact O-CG 3.29Å; E66-N70 PolarHBondContact O-N 2.88Å; E66-N70 PolarHBondContact O-ND2 3.15Å; Q67-N70 PolarHBondContact O-N 3.16Å; K68-N70 VanDerWaalsContact C-N 3.25Å; K68-N70 PolarHBondContact O-N 3.43Å; N70-E72 VanDerWaalsContact C-N 3.35Å; N70-G73 PolarHBondContact O-N 3.39Å |
| 71 | E | 86.2 | Confident | 87.3 | Confident | 136 Ų | 136 | 82.6 Ų | 82.6 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -64.9 | -36.5 | 176 | -72.3 | 171.6 | -169.5 | 0 | 0 | 112.3 | Q67 K68 G73 | Q67-E71 WeakPolarHBondContact CG-OE1 3.44Å; Q67-E71 PolarHBondContact NE2-OE1 3.42Å; Q67-E71 WeakPolarHBondContact O-CG 3.4Å; Q67-E71 PolarHBondContact O-N 3.36Å; K68-E71 PolarHBondContact O-N 2.7Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 3.48Å |
| 72 | E | 84.7 | Confident | 87.1 | Confident | 159 Ų | 159 | 83.6 Ų | 83.6 | 74% | 0.743 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -5.9 | 177.9 | -69 | 175.8 | -173.5 | 0 | 0 | 113.7 | K68 N70 S74 | K68-E72 WeakPolarHBondContact O-CG 3.44Å; K68-E72 PolarHBondContact O-N 2.7Å; N70-E72 VanDerWaalsContact C-N 3.35Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.39Å |
| 73 | G | 77.2 | Confident | 87.1 | Confident | 57 Ų | 57 | 89.6 Ų | 89.6 | 59% | 0.588 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.1 | 23.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S69 N70 E71 E75 | S69-G73 PolarHBondContact O-N 2.84Å; N70-G73 PolarHBondContact O-N 3.39Å; E71-G73 VanDerWaalsContact C-N 3.29Å; E71-G73 PolarHBondContact O-N 3.48Å; G73-E75 PolarHBondContact O-N 3.15Å |
| 74 | S | 73.2 | Confident | 87.2 | Confident | 35 Ų | 35 | 94.5 Ų | 94.5 | 25% | 0.245 | 47% | 0.468 | C | S | . | . | trans | -79.2 | 79.3 | -179.1 | 64.5 | 0 | 0 | 0 | 0 | 111.9 | S69 E72 E76 K77 G78 | S69-S74 VanDerWaalsContact CA-OG 3.26Å; S69-S74 WeakPolarHBondContact CA-OG 3.4Å; S69-S74 VanDerWaalsContact CB-OG 3.31Å; S69-S74 WeakPolarHBondContact CB-OG 3.36Å; S69-S74 PolarHBondContact O-N 3.25Å; S69-S74 PolarHBondContact O-OG 2.84Å; E72-S74 VanDerWaalsContact C-N 3.29Å; E72-S74 PolarHBondContact O-N 3.39Å; S74-E76 PolarHBondContact O-N 3.35Å; S74-E76 VanDerWaalsContact O-N 3.13Å; S74-K77 PolarHBondContact O-N 2.85Å; S74-G78 PolarHBondContact O-N 3.28Å | ||
| 75 | E | 71.7 | Confident | 87.2 | Confident | 179 Ų | 179 | 93.6 Ų | 93.6 | 84% | 0.836 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.1 | -177 | -67.9 | -174.6 | 170.4 | 0 | 0 | 114 | G73 P79 | G73-E75 PolarHBondContact O-N 3.15Å; E75-P79 WeakPolarHBondContact O-CD 3.35Å |
| 76 | E | 75.1 | Confident | 87.4 | Confident | 172 Ų | 172 | 94 Ų | 94 | 80% | 0.804 | 46% | 0.457 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -37.6 | -176.3 | -167.5 | 175.8 | -161.1 | 0 | 0 | 113.1 | S74 | S74-E76 PolarHBondContact O-N 3.35Å; S74-E76 VanDerWaalsContact O-N 3.13Å |
| 77 | K | 79 | Confident | 87.6 | Confident | 136 Ų | 136 | 98.6 Ų | 98.6 | 59% | 0.591 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -27.7 | -174.8 | -68.8 | -176.1 | -179.9 | 175.7 | 0 | 113.6 | S74 E80 V81 | S74-K77 PolarHBondContact O-N 2.85Å; K77-E80 PolarHBondContact O-N 3.1Å; K77-V81 WeakPolarHBondContact O-CG2 3.44Å; K77-V81 PolarHBondContact O-N 3.2Å; K77-V81 VanDerWaalsContact O-N 3.12Å |
| 78 | G | 84.9 | Confident | 88 | Confident | 4 Ų | 4 | 93.3 Ų | 93.3 | 4% | 0.041 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -52.5 | -49.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | S74 V81 R82 | S74-G78 PolarHBondContact O-N 3.28Å; G78-V81 PolarHBondContact O-N 3.42Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 PolarHBondContact O-N 3.01Å |
| 79 | P | 89.6 | Confident | 88.3 | Confident | 81 Ų | 81 | 89.2 Ų | 89.2 | 53% | 0.526 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -62.6 | -43.4 | -179.8 | -25.4 | 35.6 | 0 | 0 | 0 | 114.3 | E75 R82 E83 | E75-P79 WeakPolarHBondContact O-CD 3.35Å; P79-R82 PolarHBondContact O-N 2.87Å; P79-E83 PolarHBondContact O-N 3.36Å |
| 80 | E | 91.7 | Very high | 88.8 | Confident | 142 Ų | 142 | 93.4 Ų | 93.4 | 66% | 0.664 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.6 | -40.6 | -179.6 | -64.3 | -175.1 | 165 | 0 | 0 | 111.8 | K77 Y84 | K77-E80 PolarHBondContact O-N 3.1Å; E80-Y84 PolarHBondContact O-N 3.44Å; E80-Y84 VanDerWaalsContact O-N 3.1Å |
| 81 | V | 93.9 | Very high | 89.4 | Confident | 25 Ų | 25 | 92.8 Ų | 92.8 | 15% | 0.152 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 177.2 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | I65 E66 K77 G78 Y84 R85 | I65-V81 HydrophobicContact CB-CG1 4.14Å; I65-V81 HydrophobicContact CG2-CG1 3.91Å; I65-V81 HydrophobicContact CG2-CG2 3.88Å; E66-V81 HydrophobicContact CB-CG1 3.85Å; K77-V81 WeakPolarHBondContact O-CG2 3.44Å; K77-V81 PolarHBondContact O-N 3.2Å; K77-V81 VanDerWaalsContact O-N 3.12Å; G78-V81 PolarHBondContact O-N 3.42Å; V81-Y84 PolarHBondContact O-N 2.96Å; V81-R85 PolarHBondContact O-N 3.43Å |
| 82 | R | 94.1 | Very high | 90 | Very high | 108 Ų | 108 | 86.3 Ų | 86.3 | 41% | 0.408 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -60.1 | -50.8 | 175.4 | 178.2 | 175.6 | -58.9 | 165.9 | 8 | 111.8 | E66 G78 P79 Y84 R85 E86 | E66-R82 IonicContact OE1-CZ 3.45Å; E66-R82 IonicContact OE1-NE 2.82Å; E66-R82 PolarHBondContact OE1-NE 2.67Å; E66-R82 IonicContact OE1-NH2 3.17Å; E66-R82 PolarHBondContact OE1-NH2 3.29Å; E66-R82 VanDerWaalsContact OE1-NH2 3.17Å; G78-R82 WeakPolarHBondContact O-CB 3.27Å; G78-R82 PolarHBondContact O-N 3.01Å; P79-R82 PolarHBondContact O-N 2.87Å; R82-Y84 PolarHBondContact O-N 3.3Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.24Å; R82-R85 VanDerWaalsContact O-N 3.13Å; R82-E86 HydrophobicContact CG-CG 4.33Å; R82-E86 VanDerWaalsContact CG-OE1 3.29Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 WeakPolarHBondContact O-CG 3.16Å; R82-E86 PolarHBondContact O-N 3.36Å |
| 83 | E | 95.9 | Very high | 90.6 | Very high | 144 Ų | 144 | 83.5 Ų | 83.5 | 67% | 0.673 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -56.4 | -42.8 | 179 | -177.4 | -178.9 | 176.6 | 0 | 0 | 110.7 | P79 E86 K87 | P79-E83 PolarHBondContact O-N 3.36Å; E83-E86 PolarHBondContact O-N 3.29Å; E83-K87 PolarHBondContact O-N 3.27Å |
| 84 | Y | 97.1 | Very high | 91.6 | Very high | 132 Ų | 132 | 82.5 Ų | 82.5 | 52% | 0.518 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -70.9 | -36 | 178.9 | -167.4 | -146.3 | 0 | 0 | 0 | 113 | L62 E80 V81 R82 K87 V88 | L62-Y84 HydrophobicContact CD1-CD1 3.84Å; L62-Y84 HydrophobicContact CD1-CE1 4.16Å; L62-Y84 HydrophobicContact CD1-CG 4.18Å; L62-Y84 HydrophobicContact CD2-CD1 3.57Å; L62-Y84 HydrophobicContact CD2-CE1 4.13Å; L62-Y84 HydrophobicContact CD2-CG 4.42Å; L62-Y84 HydrophobicContact CG-CD1 4.37Å; E80-Y84 PolarHBondContact O-N 3.44Å; E80-Y84 VanDerWaalsContact O-N 3.1Å; V81-Y84 PolarHBondContact O-N 2.96Å; R82-Y84 PolarHBondContact O-N 3.3Å; Y84-K87 HydrophobicContact CD2-CB 4.48Å; Y84-K87 HydrophobicContact CD2-CD 4.19Å; Y84-K87 HydrophobicContact CE2-CD 4.31Å; Y84-K87 PolarHBondContact O-N 3.02Å; Y84-V88 HydrophobicContact CE2-CG2 4.43Å; Y84-V88 PolarHBondContact O-N 3.03Å; Y84-V88 VanDerWaalsContact O-N 3.17Å |
| 85 | R | 97 | Very high | 92.8 | Very high | 30 Ų | 30 | 82 Ų | 82 | 11% | 0.113 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -60 | -49 | 171.6 | -178.3 | -178.1 | 53.1 | 68.3 | 6.1 | 111 | L62 S63 E66 V81 R82 K87 V88 E89 | L62-R85 HydrophobicContact CB-CB 3.99Å; L62-R85 HydrophobicContact CB-CG 4.33Å; S63-R85 WeakPolarHBondContact OG-CD 3.23Å; E66-R85 IonicContact OE1-NH2 3.74Å; E66-R85 IonicContact OE2-CZ 3.27Å; E66-R85 VanDerWaalsContact OE2-CZ 3.27Å; E66-R85 IonicContact OE2-NE 2.69Å; E66-R85 PolarHBondContact OE2-NE 3.21Å; E66-R85 IonicContact OE2-NH2 2.99Å; E66-R85 PolarHBondContact OE2-NH2 3.42Å; V81-R85 PolarHBondContact O-N 3.43Å; R82-R85 WeakPolarHBondContact O-CB 3.46Å; R82-R85 PolarHBondContact O-N 3.24Å; R82-R85 VanDerWaalsContact O-N 3.13Å; R85-K87 VanDerWaalsContact C-N 3.28Å; R85-K87 PolarHBondContact O-N 3.19Å; R85-V88 WeakPolarHBondContact O-CB 3.34Å; R85-V88 PolarHBondContact O-N 3.26Å; R85-E89 IonicContact CZ-OE1 3.74Å; R85-E89 IonicContact NH1-OE1 2.62Å; R85-E89 PolarHBondContact NH1-OE1 2.9Å; R85-E89 IonicContact NH1-OE2 3.16Å; R85-E89 PolarHBondContact NH1-OE2 3.39Å; R85-E89 VanDerWaalsContact NH1-OE2 3.16Å; R85-E89 WeakPolarHBondContact O-CG 3.46Å; R85-E89 PolarHBondContact O-N 3.09Å |
| 86 | E | 96.8 | Very high | 94.1 | Very high | 88 Ų | 88 | 73.4 Ų | 73.4 | 41% | 0.411 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63 | -34 | -179 | -71.9 | 173.3 | -178.6 | 0 | 0 | 112.2 | R82 E83 E89 T90 | R82-E86 HydrophobicContact CG-CG 4.33Å; R82-E86 VanDerWaalsContact CG-OE1 3.29Å; R82-E86 WeakPolarHBondContact CG-OE1 3.47Å; R82-E86 WeakPolarHBondContact O-CG 3.16Å; R82-E86 PolarHBondContact O-N 3.36Å; E83-E86 PolarHBondContact O-N 3.29Å; E86-E89 WeakPolarHBondContact O-CB 3.38Å; E86-E89 PolarHBondContact O-N 3.35Å; E86-T90 PolarHBondContact O-N 3.28Å; E86-T90 PolarHBondContact O-OG1 2.82Å |
| 87 | K | 98 | Very high | 95.2 | Very high | 113 Ų | 113 | 69.1 Ų | 69.1 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.7 | -48.3 | 170.1 | -179 | -175.7 | 171.3 | -169.5 | 0 | 111.6 | E83 Y84 R85 E89 T90 E91 | E83-K87 PolarHBondContact O-N 3.27Å; Y84-K87 HydrophobicContact CD2-CB 4.48Å; Y84-K87 HydrophobicContact CD2-CD 4.19Å; Y84-K87 HydrophobicContact CE2-CD 4.31Å; Y84-K87 PolarHBondContact O-N 3.02Å; R85-K87 VanDerWaalsContact C-N 3.28Å; R85-K87 PolarHBondContact O-N 3.19Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 3.22Å; K87-T90 WeakPolarHBondContact O-CB 3.41Å; K87-T90 PolarHBondContact O-N 2.83Å; K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 IonicContact NZ-OE1 3.99Å; K87-E91 WeakPolarHBondContact O-CG 3.42Å; K87-E91 PolarHBondContact O-N 3.14Å |
| 88 | V | 98.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.1 | -37.6 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | Q55 A58 W59 L62 Y84 R85 T90 E91 L92 | Q55-V88 VanDerWaalsContact O-CG1 3.32Å; Q55-V88 WeakPolarHBondContact O-CG1 3.47Å; A58-V88 HydrophobicContact CB-CG1 4.13Å; A58-V88 HydrophobicContact CB-CG2 4.41Å; W59-V88 HydrophobicContact CB-CG1 3.81Å; L62-V88 HydrophobicContact CD1-CB 4.33Å; L62-V88 HydrophobicContact CD1-CG2 3.74Å; Y84-V88 HydrophobicContact CE2-CG2 4.43Å; Y84-V88 PolarHBondContact O-N 3.03Å; Y84-V88 VanDerWaalsContact O-N 3.17Å; R85-V88 WeakPolarHBondContact O-CB 3.34Å; R85-V88 PolarHBondContact O-N 3.26Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 2.99Å; V88-E91 PolarHBondContact O-N 3.12Å; V88-L92 WeakPolarHBondContact O-CB 3.5Å; V88-L92 PolarHBondContact O-N 2.95Å |
| 89 | E | 97.6 | Very high | 96.8 | Very high | 32 Ų | 32 | 64.6 Ų | 64.6 | 15% | 0.15 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.9 | -44.8 | 173.2 | -70.3 | 176.8 | 168.5 | 0 | 0 | 111.9 | W59 R85 E86 K87 E91 L92 Q93 V134 | W59-E89 PolarHBondContact NE1-OE1 3.34Å; R85-E89 IonicContact CZ-OE1 3.74Å; R85-E89 IonicContact NH1-OE1 2.62Å; R85-E89 PolarHBondContact NH1-OE1 2.9Å; R85-E89 IonicContact NH1-OE2 3.16Å; R85-E89 PolarHBondContact NH1-OE2 3.39Å; R85-E89 VanDerWaalsContact NH1-OE2 3.16Å; R85-E89 WeakPolarHBondContact O-CG 3.46Å; R85-E89 PolarHBondContact O-N 3.09Å; E86-E89 WeakPolarHBondContact O-CB 3.38Å; E86-E89 PolarHBondContact O-N 3.35Å; K87-E89 VanDerWaalsContact C-N 3.31Å; K87-E89 PolarHBondContact O-N 3.22Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 3.14Å; E89-L92 PolarHBondContact O-N 3.03Å; E89-Q93 WeakPolarHBondContact O-CB 3.3Å; E89-Q93 PolarHBondContact O-N 3.47Å; E89-V134 HydrophobicContact CG-CB 4.23Å |
| 90 | T | 97.8 | Very high | 97.2 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62.7 | -41.8 | 178.1 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | E86 K87 V88 Q93 G94 | E86-T90 PolarHBondContact O-N 3.28Å; E86-T90 PolarHBondContact O-OG1 2.82Å; K87-T90 WeakPolarHBondContact O-CB 3.41Å; K87-T90 PolarHBondContact O-N 2.83Å; V88-T90 VanDerWaalsContact C-N 3.34Å; V88-T90 PolarHBondContact O-N 2.99Å; T90-Q93 PolarHBondContact O-N 2.86Å; T90-G94 PolarHBondContact O-N 3.25Å |
| 91 | E | 98.1 | Very high | 97.5 | Very high | 77 Ų | 77 | 56 Ų | 56 | 36% | 0.36 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 176.2 | -70.2 | 177 | -171.8 | 0 | 0 | 111.7 | Q55 K87 V88 E89 Q93 G94 V95 | Q55-E91 PolarHBondContact NE2-OE2 3.47Å; Q55-E91 PolarHBondContact OE1-OE2 3.28Å; K87-E91 WeakPolarHBondContact CE-OE1 3.4Å; K87-E91 IonicContact NZ-OE1 3.99Å; K87-E91 WeakPolarHBondContact O-CG 3.42Å; K87-E91 PolarHBondContact O-N 3.14Å; V88-E91 PolarHBondContact O-N 3.12Å; E89-E91 VanDerWaalsContact C-N 3.34Å; E89-E91 PolarHBondContact O-N 3.14Å; E91-Q93 VanDerWaalsContact C-N 3.35Å; E91-Q93 PolarHBondContact O-N 2.9Å; E91-G94 PolarHBondContact O-N 3.01Å; E91-V95 WeakPolarHBondContact O-CG2 3.42Å; E91-V95 PolarHBondContact O-N 3.01Å; E91-V95 VanDerWaalsContact O-N 3.08Å |
| 92 | L | 98.2 | Very high | 97.7 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.9 | -46.6 | 174.8 | -176.6 | 157.7 | 0 | 0 | 0 | 111.2 | V52 Q55 R56 V88 E89 V95 C96 L131 V134 | V52-L92 HydrophobicContact CG2-CG 4.28Å; Q55-L92 HydrophobicContact CB-CB 4.09Å; Q55-L92 HydrophobicContact CB-CD1 4.46Å; Q55-L92 HydrophobicContact CB-CG 4.48Å; R56-L92 HydrophobicContact CB-CD1 4.46Å; R56-L92 HydrophobicContact CG-CD1 3.49Å; R56-L92 VanDerWaalsContact CG-CD1 3.49Å; V88-L92 WeakPolarHBondContact O-CB 3.5Å; V88-L92 PolarHBondContact O-N 2.95Å; E89-L92 PolarHBondContact O-N 3.03Å; L92-V95 PolarHBondContact O-N 3.24Å; L92-C96 PolarHBondContact O-N 3Å; L92-C96 PolarHBondContact O-SG 3.35Å; L92-L131 HydrophobicContact CD2-CD2 4.29Å; L92-V134 HydrophobicContact CD1-CG1 3.92Å; L92-V134 HydrophobicContact CD2-CG2 4Å |
| 93 | Q | 97.8 | Very high | 97.9 | Very high | 100 Ų | 100 | 50 Ų | 50 | 47% | 0.467 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 178.2 | -179.3 | 169.7 | 15.7 | 0 | 0 | 111 | E89 T90 E91 V95 C96 D97 L131 | E89-Q93 WeakPolarHBondContact O-CB 3.3Å; E89-Q93 PolarHBondContact O-N 3.47Å; T90-Q93 PolarHBondContact O-N 2.86Å; E91-Q93 VanDerWaalsContact C-N 3.35Å; E91-Q93 PolarHBondContact O-N 2.9Å; Q93-V95 VanDerWaalsContact C-N 3.29Å; Q93-V95 PolarHBondContact O-N 3.34Å; Q93-C96 PolarHBondContact O-N 3.02Å; Q93-C96 VanDerWaalsContact O-N 3.1Å; Q93-D97 WeakPolarHBondContact CG-OD2 3.27Å; Q93-D97 WeakPolarHBondContact O-CB 3.02Å; Q93-D97 VanDerWaalsContact O-CG 3.32Å; Q93-D97 PolarHBondContact O-N 3.42Å; Q93-L131 HydrophobicContact CB-CD2 4.12Å; Q93-L131 HydrophobicContact CG-CD2 3.99Å |
| 94 | G | 98.1 | Very high | 98 | Very high | 36 Ų | 36 | 45.8 Ų | 45.8 | 37% | 0.371 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.8 | -36.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | T90 E91 T98 | T90-G94 PolarHBondContact O-N 3.25Å; E91-G94 PolarHBondContact O-N 3.01Å; G94-T98 WeakPolarHBondContact O-CB 3.36Å; G94-T98 PolarHBondContact O-N 2.97Å; G94-T98 VanDerWaalsContact O-N 3.1Å; G94-T98 PolarHBondContact O-OG1 3.14Å |
| 95 | V | 98.4 | Very high | 97.9 | Very high | 23 Ų | 23 | 42.5 Ų | 42.5 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.3 | -46.4 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 110.6 | Y48 V51 V52 E91 L92 Q93 T98 V99 Y127 | Y48-V95 HydrophobicContact CD1-CG1 4.06Å; V51-V95 HydrophobicContact CG1-CG1 4.16Å; V51-V95 HydrophobicContact CG1-CG2 3.72Å; V52-V95 HydrophobicContact CB-CG1 4.09Å; V52-V95 HydrophobicContact CG2-CG1 4.47Å; E91-V95 WeakPolarHBondContact O-CG2 3.42Å; E91-V95 PolarHBondContact O-N 3.01Å; E91-V95 VanDerWaalsContact O-N 3.08Å; L92-V95 PolarHBondContact O-N 3.24Å; Q93-V95 VanDerWaalsContact C-N 3.29Å; Q93-V95 PolarHBondContact O-N 3.34Å; V95-T98 PolarHBondContact O-N 2.94Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.03Å; V95-V99 VanDerWaalsContact O-N 3.08Å; V95-Y127 HydrophobicContact CG1-CE1 4.44Å |
| 96 | C | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.4 | -46.5 | 179.2 | -63.6 | 0 | 0 | 0 | 0 | 112.2 | L92 Q93 T98 V99 L100 Y127 L131 | L92-C96 PolarHBondContact O-N 3Å; L92-C96 PolarHBondContact O-SG 3.35Å; Q93-C96 PolarHBondContact O-N 3.02Å; Q93-C96 VanDerWaalsContact O-N 3.1Å; C96-T98 VanDerWaalsContact C-N 3.27Å; C96-T98 PolarHBondContact O-N 3.43Å; C96-V99 PolarHBondContact O-N 2.93Å; C96-V99 VanDerWaalsContact O-N 3.14Å; C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 VanDerWaalsContact O-CG 3.23Å; C96-L100 WeakPolarHBondContact O-CG 3.36Å; C96-L100 PolarHBondContact O-N 3.36Å; C96-Y127 HydrophobicContact CB-CD1 4.13Å; C96-L131 HydrophobicContact CB-CD1 3.88Å; C96-L131 HydrophobicContact CB-CD2 3.64Å; C96-L131 HydrophobicContact CB-CG 3.59Å |
| 97 | D | 98.4 | Very high | 97.9 | Very high | 81 Ų | 81 | 40 Ų | 40 | 43% | 0.433 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.7 | -37.3 | 178.6 | -70.7 | -17 | 0 | 0 | 0 | 111.6 | Q93 G101 | Q93-D97 WeakPolarHBondContact CG-OD2 3.27Å; Q93-D97 WeakPolarHBondContact O-CB 3.02Å; Q93-D97 VanDerWaalsContact O-CG 3.32Å; Q93-D97 PolarHBondContact O-N 3.42Å; D97-G101 PolarHBondContact O-N 3.43Å |
| 98 | T | 98.5 | Very high | 97.8 | Very high | 42 Ų | 42 | 36.3 Ų | 36.3 | 26% | 0.258 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -61.4 | -49.3 | 173.6 | -64.8 | 0 | 0 | 0 | 0 | 111.2 | K27 Y48 G94 V95 C96 G101 L102 | K27-T98 HydrophobicContact CD-CG2 3.88Å; Y48-T98 HydrophobicContact CE1-CG2 4.13Å; Y48-T98 WeakPolarHBondContact OH-CG2 3.5Å; G94-T98 WeakPolarHBondContact O-CB 3.36Å; G94-T98 PolarHBondContact O-N 2.97Å; G94-T98 VanDerWaalsContact O-N 3.1Å; G94-T98 PolarHBondContact O-OG1 3.14Å; V95-T98 PolarHBondContact O-N 2.94Å; C96-T98 VanDerWaalsContact C-N 3.27Å; C96-T98 PolarHBondContact O-N 3.43Å; T98-G101 PolarHBondContact O-N 3.47Å; T98-L102 HydrophobicContact CG2-CD1 4.3Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.47Å |
| 99 | V | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 43.1 Ų | 43.1 | 2% | 0.018 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.6 | -47.1 | -179.1 | 171.4 | 0 | 0 | 0 | 0 | 111.3 | Y48 V95 C96 G101 L102 L103 M123 Y127 | Y48-V99 HydrophobicContact CD1-CG2 3.28Å; Y48-V99 HydrophobicContact CD2-CG2 3.91Å; Y48-V99 HydrophobicContact CE1-CG2 3.63Å; Y48-V99 HydrophobicContact CE2-CG2 4.23Å; Y48-V99 HydrophobicContact CG-CG2 3.41Å; Y48-V99 VanDerWaalsContact CG-CG2 3.41Å; V95-V99 WeakPolarHBondContact O-CG2 3.49Å; V95-V99 PolarHBondContact O-N 3.03Å; V95-V99 VanDerWaalsContact O-N 3.08Å; C96-V99 PolarHBondContact O-N 2.93Å; C96-V99 VanDerWaalsContact O-N 3.14Å; V99-G101 VanDerWaalsContact C-N 3.29Å; V99-G101 PolarHBondContact O-N 2.88Å; V99-L102 PolarHBondContact O-N 2.89Å; V99-L102 VanDerWaalsContact O-N 3.15Å; V99-L103 HydrophobicContact CG1-CD1 3.65Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 3.1Å; V99-M123 HydrophobicContact CG1-CE 3.81Å; V99-M123 HydrophobicContact CG1-CG 4.47Å; V99-Y127 HydrophobicContact CB-CD1 3.91Å; V99-Y127 HydrophobicContact CB-CD2 4.29Å; V99-Y127 HydrophobicContact CB-CE1 3.96Å; V99-Y127 HydrophobicContact CB-CE2 4.39Å; V99-Y127 HydrophobicContact CB-CG 4.07Å; V99-Y127 HydrophobicContact CG1-CD1 4.06Å; V99-Y127 HydrophobicContact CG1-CD2 3.53Å; V99-Y127 HydrophobicContact CG1-CE1 4.12Å; V99-Y127 HydrophobicContact CG1-CE2 3.65Å; V99-Y127 HydrophobicContact CG1-CG 3.77Å; V99-Y127 HydrophobicContact CG2-CD1 4.13Å; V99-Y127 HydrophobicContact CG2-CE1 3.67Å; V99-Y127 HydrophobicContact CG2-CE2 4.42Å |
| 100 | L | 98.7 | Very high | 97 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 5% | 0.052 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -58.5 | -42.5 | 177.2 | -69.1 | 172 | 0 | 0 | 0 | 111.2 | C96 L102 L103 D104 K124 Y128 L131 | C96-L100 WeakPolarHBondContact O-CB 3.22Å; C96-L100 VanDerWaalsContact O-CG 3.23Å; C96-L100 WeakPolarHBondContact O-CG 3.36Å; C96-L100 PolarHBondContact O-N 3.36Å; L100-L102 PolarHBondContact O-N 3.37Å; L100-L103 PolarHBondContact O-N 3.2Å; L100-D104 WeakPolarHBondContact O-CB 3.49Å; L100-D104 PolarHBondContact O-N 2.76Å; L100-K124 HydrophobicContact CD2-CG 3.79Å; L100-Y128 HydrophobicContact CD1-CD1 3.86Å; L100-Y128 HydrophobicContact CD1-CE1 3.56Å; L100-Y128 HydrophobicContact CD1-CE2 4.43Å; L100-Y128 HydrophobicContact CD1-CG 4.41Å; L100-Y128 HydrophobicContact CD2-CD1 4.48Å; L100-Y128 HydrophobicContact CD2-CD2 3.88Å; L100-Y128 HydrophobicContact CD2-CE1 4.31Å; L100-Y128 HydrophobicContact CD2-CE2 3.67Å; L100-Y128 HydrophobicContact CD2-CG 4.27Å; L100-L131 HydrophobicContact CD1-CD1 3.71Å |
| 101 | G | 98.3 | Very high | 96.7 | Very high | 33 Ų | 33 | 43 Ų | 43 | 34% | 0.34 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D97 T98 V99 S105 | D97-G101 PolarHBondContact O-N 3.43Å; T98-G101 PolarHBondContact O-N 3.47Å; V99-G101 VanDerWaalsContact C-N 3.29Å; V99-G101 PolarHBondContact O-N 2.88Å; G101-S105 WeakPolarHBondContact O-CB 3.19Å; G101-S105 PolarHBondContact O-N 2.92Å; G101-S105 PolarHBondContact O-OG 3.27Å |
| 102 | L | 98.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 176 | -69.7 | 173.1 | 0 | 0 | 0 | 112.3 | K27 V30 E31 Y48 T98 V99 L100 H106 L107 | K27-L102 HydrophobicContact CB-CD1 4.26Å; K27-L102 HydrophobicContact CG-CD1 4.08Å; K27-L102 HydrophobicContact CG-CD2 4.18Å; V30-L102 HydrophobicContact CB-CD2 4.35Å; V30-L102 HydrophobicContact CG1-CB 4.46Å; V30-L102 HydrophobicContact CG1-CD2 3.95Å; E31-L102 HydrophobicContact CG-CD2 4.03Å; Y48-L102 HydrophobicContact CE2-CD1 4.19Å; T98-L102 HydrophobicContact CG2-CD1 4.3Å; T98-L102 WeakPolarHBondContact O-CG 3.35Å; T98-L102 PolarHBondContact O-N 3.47Å; V99-L102 PolarHBondContact O-N 2.89Å; V99-L102 VanDerWaalsContact O-N 3.15Å; L100-L102 PolarHBondContact O-N 3.37Å; L102-H106 WeakPolarHBondContact O-CB 3.01Å; L102-H106 PolarHBondContact O-N 3.07Å; L102-L107 HydrophobicContact CB-CD1 4.33Å; L102-L107 PolarHBondContact O-N 3.21Å |
| 103 | L | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -60.8 | -49.2 | 177.6 | -71.7 | 166.7 | 0 | 0 | 0 | 110.9 | V99 L100 L107 I108 Y120 M123 K124 | V99-L103 HydrophobicContact CG1-CD1 3.65Å; V99-L103 HydrophobicContact CG1-CG 4.18Å; V99-L103 WeakPolarHBondContact O-CB 3.4Å; V99-L103 VanDerWaalsContact O-CG 3.26Å; V99-L103 WeakPolarHBondContact O-CG 3.36Å; V99-L103 PolarHBondContact O-N 3.1Å; L100-L103 PolarHBondContact O-N 3.2Å; L103-L107 HydrophobicContact CD2-CB 4.24Å; L103-L107 HydrophobicContact CD2-CD1 3.82Å; L103-L107 HydrophobicContact CG-CD1 4.32Å; L103-L107 PolarHBondContact O-N 2.96Å; L103-I108 HydrophobicContact CB-CD1 3.98Å; L103-I108 HydrophobicContact CB-CG1 4.33Å; L103-I108 WeakPolarHBondContact O-CB 3.43Å; L103-I108 WeakPolarHBondContact O-CG1 3.36Å; L103-I108 PolarHBondContact O-N 2.97Å; L103-Y120 HydrophobicContact CD2-CD1 3.89Å; L103-Y120 HydrophobicContact CD2-CG 4.13Å; L103-M123 HydrophobicContact CD1-CB 4.32Å; L103-M123 HydrophobicContact CD1-CG 4.21Å; L103-M123 HydrophobicContact CD2-CB 4.33Å; L103-M123 HydrophobicContact CD2-CG 4.49Å; L103-M123 HydrophobicContact CD2-SD 4.21Å; L103-K124 HydrophobicContact CD1-CB 3.91Å |
| 104 | D | 97.4 | Very high | 96.1 | Very high | 55 Ų | 55 | 41.3 Ų | 41.3 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -77.1 | -28.9 | -176 | -73.4 | -13.9 | 0 | 0 | 0 | 113.7 | L100 K109 K124 | L100-D104 WeakPolarHBondContact O-CB 3.49Å; L100-D104 PolarHBondContact O-N 2.76Å; D104-K109 WeakPolarHBondContact O-CD 3.44Å; D104-K109 WeakPolarHBondContact O-CE 3.11Å; D104-K109 PolarHBondContact O-NZ 3.33Å; D104-K124 VanDerWaalsContact CG-NZ 3.31Å; D104-K124 WeakPolarHBondContact OD1-CE 3.11Å; D104-K124 IonicContact OD1-NZ 3.57Å; D104-K124 PolarHBondContact OD1-NZ 3.01Å; D104-K124 IonicContact OD2-NZ 3.19Å; D104-K124 PolarHBondContact OD2-NZ 3.42Å |
| 105 | S | 96 | Very high | 96 | Very high | 63 Ų | 63 | 43 Ų | 43 | 44% | 0.441 | 25% | 0.249 | S | C | . | . | I | π-helix | trans | -91.1 | -29.8 | -176 | -55.2 | 0 | 0 | 0 | 0 | 113.3 | G101 | G101-S105 WeakPolarHBondContact O-CB 3.19Å; G101-S105 PolarHBondContact O-N 2.92Å; G101-S105 PolarHBondContact O-OG 3.27Å |
| 106 | H | 95.7 | Very high | 95.9 | Very high | 54 Ų | 54 | 42 Ų | 42 | 25% | 0.25 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -129.9 | -58.5 | -172.1 | -57.3 | -76.5 | 0 | 0 | 0 | 112.1 | V30 L102 E110 | V30-H106 HydrophobicContact CG1-CB 3.6Å; L102-H106 WeakPolarHBondContact O-CB 3.01Å; L102-H106 PolarHBondContact O-N 3.07Å; H106-E110 VanDerWaalsContact O-CB 3.31Å; H106-E110 WeakPolarHBondContact O-CB 3.49Å; H106-E110 WeakPolarHBondContact O-CG 3.49Å; H106-E110 PolarHBondContact O-N 2.81Å; H106-E110 VanDerWaalsContact O-N 3.11Å |
| 107 | L | 97.3 | Very high | 95.9 | Very high | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 26% | 0.257 | C | S | . | . | I | π-helix | trans | -75.7 | -46.6 | -160.4 | -58.7 | 163.6 | 0 | 0 | 0 | 113.7 | V30 L36 L44 L102 L103 K109 A111 Y120 | V30-L107 HydrophobicContact CG1-CD1 4.44Å; V30-L107 HydrophobicContact CG1-CD2 3.8Å; V30-L107 HydrophobicContact CG1-CG 3.95Å; V30-L107 HydrophobicContact CG2-CD2 3.96Å; L36-L107 HydrophobicContact CD1-CD2 3.78Å; L36-L107 HydrophobicContact CG-CD2 3.99Å; L44-L107 HydrophobicContact CD2-CD1 3.42Å; L44-L107 VanDerWaalsContact CD2-CD1 3.42Å; L44-L107 HydrophobicContact CD2-CD2 4.3Å; L102-L107 HydrophobicContact CB-CD1 4.33Å; L102-L107 PolarHBondContact O-N 3.21Å; L103-L107 HydrophobicContact CD2-CB 4.24Å; L103-L107 HydrophobicContact CD2-CD1 3.82Å; L103-L107 HydrophobicContact CG-CD1 4.32Å; L103-L107 PolarHBondContact O-N 2.96Å; L107-K109 VanDerWaalsContact C-N 3.35Å; L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 3.2Å; L107-Y120 HydrophobicContact CB-CD1 3.85Å; L107-Y120 HydrophobicContact CB-CD2 3.88Å; L107-Y120 HydrophobicContact CB-CE1 3.91Å; L107-Y120 HydrophobicContact CB-CE2 3.95Å; L107-Y120 HydrophobicContact CB-CG 3.86Å; L107-Y120 HydrophobicContact CD1-CD1 4.23Å; L107-Y120 HydrophobicContact CD1-CE1 4.16Å; L107-Y120 HydrophobicContact CD2-CE1 4.02Å; L107-Y120 HydrophobicContact CG-CD1 4.49Å; L107-Y120 HydrophobicContact CG-CE1 4.25Å; L107-Y120 VanDerWaalsContact O-CD2 3.29Å; L107-Y120 WeakPolarHBondContact O-CD2 3.5Å; L107-Y120 WeakPolarHBondContact O-CE2 3.25Å |
| 108 | I | 96.3 | Very high | 95.9 | Very high | 37 Ų | 37 | 41.8 Ų | 41.8 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -37.1 | -179.7 | -65.6 | 171.1 | 0 | 0 | 0 | 110.5 | L103 L121 K124 | L103-I108 HydrophobicContact CB-CD1 3.98Å; L103-I108 HydrophobicContact CB-CG1 4.33Å; L103-I108 WeakPolarHBondContact O-CB 3.43Å; L103-I108 WeakPolarHBondContact O-CG1 3.36Å; L103-I108 PolarHBondContact O-N 2.97Å; I108-L121 HydrophobicContact CD1-CD2 4.07Å; I108-K124 HydrophobicContact CD1-CB 4.43Å; I108-K124 HydrophobicContact CD1-CD 3.8Å |
| 109 | K | 90.9 | Very high | 95.8 | Very high | 145 Ų | 145 | 41.1 Ų | 41.1 | 63% | 0.63 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -39 | -179.3 | -73.7 | 178.3 | 177.1 | 154.1 | 0 | 112.9 | D104 L107 | D104-K109 WeakPolarHBondContact O-CD 3.44Å; D104-K109 WeakPolarHBondContact O-CE 3.11Å; D104-K109 PolarHBondContact O-NZ 3.33Å; L107-K109 VanDerWaalsContact C-N 3.35Å |
| 110 | E | 88.6 | Confident | 95.8 | Very high | 111 Ų | 111 | 41 Ų | 41 | 52% | 0.519 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -93.4 | 0.9 | -176.4 | -58.5 | -58.9 | 140.5 | 0 | 0 | 113.2 | H106 G112 | H106-E110 VanDerWaalsContact O-CB 3.31Å; H106-E110 WeakPolarHBondContact O-CB 3.49Å; H106-E110 WeakPolarHBondContact O-CG 3.49Å; H106-E110 PolarHBondContact O-N 2.81Å; H106-E110 VanDerWaalsContact O-N 3.11Å; E110-G112 PolarHBondContact O-N 3.29Å; E110-G112 VanDerWaalsContact O-N 3.1Å |
| 111 | A | 91.5 | Very high | 95.8 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 12% | 0.116 | 23% | 0.228 | C | C | . | . | trans | -69.8 | 107.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L107 R117 Y120 | L107-A111 WeakPolarHBondContact O-CB 3.33Å; L107-A111 PolarHBondContact O-N 3.2Å; A111-R117 HydrophobicContact CB-CB 4.4Å; A111-R117 HydrophobicContact CB-CG 3.53Å; A111-Y120 HydrophobicContact CB-CD2 3.96Å; A111-Y120 HydrophobicContact CB-CE2 4.09Å | ||
| 112 | G | 90.3 | Very high | 95.9 | Very high | 65 Ų | 65 | 41 Ų | 41 | 67% | 0.67 | 22% | 0.22 | S | C | * | . | trans | -78.1 | -23.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | E35 E110 | E35-G112 PolarHBondContact OE1-N 3.49Å; E110-G112 PolarHBondContact O-N 3.29Å; E110-G112 VanDerWaalsContact O-N 3.1Å | ||
| 113 | D | 94.4 | Very high | 95.9 | Very high | 62 Ų | 62 | 41 Ų | 41 | 33% | 0.332 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -121.7 | 165.9 | -174.9 | 74.8 | 80.4 | 0 | 0 | 0 | 113.5 | E115 S116 R117 | D113-E115 VanDerWaalsContact OD1-CA 3.31Å; D113-E115 WeakPolarHBondContact OD1-CA 3.47Å; D113-E115 VanDerWaalsContact OD1-CB 3.26Å; D113-E115 WeakPolarHBondContact OD1-CB 3.26Å; D113-E115 PolarHBondContact OD1-N 3.22Å; D113-S116 PolarHBondContact OD1-N 2.93Å; D113-S116 PolarHBondContact OD1-OG 3.03Å; D113-S116 VanDerWaalsContact OD2-CB 3.3Å; D113-S116 WeakPolarHBondContact OD2-CB 3.48Å; D113-S116 PolarHBondContact OD2-OG 3.06Å; D113-R117 VanDerWaalsContact O-CG 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.39Å; D113-R117 PolarHBondContact O-N 2.98Å; D113-R117 VanDerWaalsContact O-N 3.15Å; D113-R117 PolarHBondContact O-NE 2.92Å |
| 114 | A | 95.5 | Very high | 95.9 | Very high | 15 Ų | 15 | 42.8 Ų | 42.8 | 12% | 0.124 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.2 | -39.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R117 V118 I157 E161 | A114-R117 PolarHBondContact O-N 3.15Å; A114-V118 WeakPolarHBondContact O-CB 3.33Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.4Å; A114-I157 HydrophobicContact CB-CG2 4.31Å; A114-E161 HydrophobicContact CB-CB 3.83Å; A114-E161 VanDerWaalsContact CB-OE2 3.32Å; A114-E161 WeakPolarHBondContact CB-OE2 3.31Å |
| 115 | E | 95.8 | Very high | 96 | Very high | 72 Ų | 72 | 40.2 Ų | 40.2 | 34% | 0.336 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.2 | -44.2 | -178.3 | -59.4 | -162.5 | 135.3 | 0 | 0 | 110.9 | D113 V118 F119 M162 N166 I168 | D113-E115 VanDerWaalsContact OD1-CA 3.31Å; D113-E115 WeakPolarHBondContact OD1-CA 3.47Å; D113-E115 VanDerWaalsContact OD1-CB 3.26Å; D113-E115 WeakPolarHBondContact OD1-CB 3.26Å; D113-E115 PolarHBondContact OD1-N 3.22Å; E115-V118 PolarHBondContact O-N 3.09Å; E115-F119 WeakPolarHBondContact O-CB 3.49Å; E115-F119 PolarHBondContact O-N 3.39Å; E115-M162 HydrophobicContact CG-CE 4.07Å; E115-N166 PolarHBondContact OE1-ND2 3.49Å; E115-I168 HydrophobicContact CB-CD1 3.91Å; E115-I168 HydrophobicContact CG-CD1 4.48Å |
| 116 | S | 96.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 176.2 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | R41 D113 V118 F119 Y120 | R41-S116 PolarHBondContact NH1-OG 3.47Å; D113-S116 PolarHBondContact OD1-N 2.93Å; D113-S116 PolarHBondContact OD1-OG 3.03Å; D113-S116 VanDerWaalsContact OD2-CB 3.3Å; D113-S116 WeakPolarHBondContact OD2-CB 3.48Å; D113-S116 PolarHBondContact OD2-OG 3.06Å; S116-V118 PolarHBondContact O-N 3.01Å; S116-F119 PolarHBondContact O-N 3.24Å; S116-Y120 WeakPolarHBondContact O-CD2 3.3Å; S116-Y120 PolarHBondContact O-N 2.81Å |
| 117 | R | 97.7 | Very high | 96.3 | Very high | 76 Ų | 76 | 35.3 Ų | 35.3 | 29% | 0.287 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -58.8 | -50 | 175.4 | -73.3 | -179.7 | -63.9 | 158 | 5.2 | 111.9 | A111 D113 A114 F119 Y120 L121 I157 E161 | A111-R117 HydrophobicContact CB-CB 4.4Å; A111-R117 HydrophobicContact CB-CG 3.53Å; D113-R117 VanDerWaalsContact O-CG 3.32Å; D113-R117 WeakPolarHBondContact O-CG 3.39Å; D113-R117 PolarHBondContact O-N 2.98Å; D113-R117 VanDerWaalsContact O-N 3.15Å; D113-R117 PolarHBondContact O-NE 2.92Å; A114-R117 PolarHBondContact O-N 3.15Å; R117-F119 VanDerWaalsContact C-N 3.34Å; R117-F119 PolarHBondContact O-N 3.2Å; R117-Y120 PolarHBondContact O-N 3.46Å; R117-L121 WeakPolarHBondContact O-CB 3.33Å; R117-L121 WeakPolarHBondContact O-CG 3.42Å; R117-L121 PolarHBondContact O-N 3.43Å; R117-I157 HydrophobicContact CB-CD1 4.48Å; R117-E161 IonicContact NH2-OE1 3.85Å; R117-E161 PolarHBondContact NH2-OE1 2.88Å; R117-E161 IonicContact NH2-OE2 3.73Å; R117-E161 PolarHBondContact NH2-OE2 3.47Å; R117-E161 VanDerWaalsContact NH2-OE2 3.09Å |
| 118 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | 179.4 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | A114 E115 S116 K122 A154 I157 M162 I168 L172 | A114-V118 WeakPolarHBondContact O-CB 3.33Å; A114-V118 VanDerWaalsContact O-CG2 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.4Å; E115-V118 PolarHBondContact O-N 3.09Å; S116-V118 PolarHBondContact O-N 3.01Å; V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.99Å; V118-A154 HydrophobicContact CG1-CB 4.38Å; V118-I157 HydrophobicContact CG2-CB 3.83Å; V118-I157 HydrophobicContact CG2-CG2 3.61Å; V118-M162 HydrophobicContact CB-SD 3.99Å; V118-M162 HydrophobicContact CG1-SD 4.07Å; V118-M162 HydrophobicContact CG2-SD 3.76Å; V118-I168 HydrophobicContact CB-CG2 4.31Å; V118-I168 HydrophobicContact CG1-CG2 3.76Å; V118-L172 HydrophobicContact CG1-CD2 3.97Å |
| 119 | F | 98.2 | Very high | 96.4 | Very high | 27 Ų | 27 | 36 Ų | 36 | 12% | 0.118 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 177 | -174.2 | -78.7 | 0 | 0 | 0 | 111.6 | R41 E115 S116 R117 M123 I168 | R41-F119 VanDerWaalsContact CD-CD1 3.44Å; R41-F119 HydrophobicContact CG-CD1 3.53Å; R41-F119 HydrophobicContact CG-CD2 4.43Å; R41-F119 HydrophobicContact CG-CE1 3.33Å; R41-F119 HydrophobicContact CG-CE2 4.24Å; R41-F119 HydrophobicContact CG-CG 4.09Å; R41-F119 HydrophobicContact CG-CZ 3.7Å; E115-F119 WeakPolarHBondContact O-CB 3.49Å; E115-F119 PolarHBondContact O-N 3.39Å; S116-F119 PolarHBondContact O-N 3.24Å; R117-F119 VanDerWaalsContact C-N 3.34Å; R117-F119 PolarHBondContact O-N 3.2Å; F119-M123 HydrophobicContact CE1-SD 4.45Å; F119-M123 WeakPolarHBondContact O-CB 3.19Å; F119-M123 PolarHBondContact O-N 3.24Å; F119-I168 HydrophobicContact CB-CG2 4.42Å; F119-I168 HydrophobicContact CD2-CD1 4.48Å |
| 120 | Y | 98.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.1 | -38.2 | -178.5 | -62.7 | -44.7 | 0 | 0 | 0 | 112.8 | R41 L103 L107 A111 S116 R117 M123 K124 | R41-Y120 HydrophobicContact CG-CE1 3.74Å; L103-Y120 HydrophobicContact CD2-CD1 3.89Å; L103-Y120 HydrophobicContact CD2-CG 4.13Å; L107-Y120 HydrophobicContact CB-CD1 3.85Å; L107-Y120 HydrophobicContact CB-CD2 3.88Å; L107-Y120 HydrophobicContact CB-CE1 3.91Å; L107-Y120 HydrophobicContact CB-CE2 3.95Å; L107-Y120 HydrophobicContact CB-CG 3.86Å; L107-Y120 HydrophobicContact CD1-CD1 4.23Å; L107-Y120 HydrophobicContact CD1-CE1 4.16Å; L107-Y120 HydrophobicContact CD2-CE1 4.02Å; L107-Y120 HydrophobicContact CG-CD1 4.49Å; L107-Y120 HydrophobicContact CG-CE1 4.25Å; L107-Y120 VanDerWaalsContact O-CD2 3.29Å; L107-Y120 WeakPolarHBondContact O-CD2 3.5Å; L107-Y120 WeakPolarHBondContact O-CE2 3.25Å; A111-Y120 HydrophobicContact CB-CD2 3.96Å; A111-Y120 HydrophobicContact CB-CE2 4.09Å; S116-Y120 WeakPolarHBondContact O-CD2 3.3Å; S116-Y120 PolarHBondContact O-N 2.81Å; R117-Y120 PolarHBondContact O-N 3.46Å; Y120-M123 WeakPolarHBondContact O-CB 3.37Å; Y120-M123 PolarHBondContact O-N 2.93Å; Y120-K124 WeakPolarHBondContact O-CB 3.39Å; Y120-K124 PolarHBondContact O-N 2.92Å |
| 121 | L | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67 | -41 | 175 | -73.7 | 166.6 | 0 | 0 | 0 | 111.9 | I108 R117 M123 K124 G125 E153 A154 I157 | I108-L121 HydrophobicContact CD1-CD2 4.07Å; R117-L121 WeakPolarHBondContact O-CB 3.33Å; R117-L121 WeakPolarHBondContact O-CG 3.42Å; R117-L121 PolarHBondContact O-N 3.43Å; L121-M123 VanDerWaalsContact C-N 3.31Å; L121-M123 PolarHBondContact O-N 3.47Å; L121-K124 WeakPolarHBondContact O-CB 3.27Å; L121-K124 PolarHBondContact O-N 2.98Å; L121-G125 PolarHBondContact O-N 3.01Å; L121-E153 HydrophobicContact CD1-CB 4.26Å; L121-E153 HydrophobicContact CD1-CG 3.8Å; L121-E153 HydrophobicContact CD2-CB 4.5Å; L121-E153 HydrophobicContact CD2-CG 4.36Å; L121-A154 HydrophobicContact CB-CB 3.69Å; L121-I157 HydrophobicContact CD1-CD1 3.72Å |
| 122 | K | 98.6 | Very high | 97.5 | Very high | 37 Ų | 37 | 24.7 Ų | 24.7 | 16% | 0.161 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.3 | -48.5 | 170.1 | 177.8 | -168.6 | 170.8 | -67.4 | 0 | 110.6 | V118 K124 G125 D126 Y151 G171 L172 N175 | V118-K122 WeakPolarHBondContact O-CB 3.41Å; V118-K122 PolarHBondContact O-N 2.99Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.84Å; K122-G125 PolarHBondContact O-N 3.45Å; K122-D126 IonicContact NZ-OD2 2.81Å; K122-D126 PolarHBondContact NZ-OD2 2.59Å; K122-D126 VanDerWaalsContact O-CG 3.31Å; K122-D126 PolarHBondContact O-N 3.27Å; K122-Y151 HydrophobicContact CG-CE1 4.49Å; K122-G171 WeakPolarHBondContact CE-O 3.37Å; K122-L172 HydrophobicContact CB-CB 4.49Å; K122-L172 HydrophobicContact CB-CD1 3.91Å; K122-L172 HydrophobicContact CD-CB 4.06Å; K122-L172 HydrophobicContact CG-CB 4.24Å; K122-L172 HydrophobicContact CG-CD1 3.96Å; K122-N175 WeakPolarHBondContact CE-ND2 3.23Å; K122-N175 PolarHBondContact NZ-ND2 2.87Å |
| 123 | M | 98.6 | Very high | 97.8 | Very high | 7 Ų | 7 | 23.3 Ų | 23.3 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -59.3 | -44.8 | 177.3 | -167.2 | 175.3 | -177 | 0 | 0 | 110.4 | V99 L103 F119 Y120 L121 G125 D126 Y127 | V99-M123 HydrophobicContact CG1-CE 3.81Å; V99-M123 HydrophobicContact CG1-CG 4.47Å; L103-M123 HydrophobicContact CD1-CB 4.32Å; L103-M123 HydrophobicContact CD1-CG 4.21Å; L103-M123 HydrophobicContact CD2-CB 4.33Å; L103-M123 HydrophobicContact CD2-CG 4.49Å; L103-M123 HydrophobicContact CD2-SD 4.21Å; F119-M123 HydrophobicContact CE1-SD 4.45Å; F119-M123 WeakPolarHBondContact O-CB 3.19Å; F119-M123 PolarHBondContact O-N 3.24Å; Y120-M123 WeakPolarHBondContact O-CB 3.37Å; Y120-M123 PolarHBondContact O-N 2.93Å; L121-M123 VanDerWaalsContact C-N 3.31Å; L121-M123 PolarHBondContact O-N 3.47Å; M123-G125 VanDerWaalsContact C-N 3.34Å; M123-G125 PolarHBondContact O-N 3.05Å; M123-D126 WeakPolarHBondContact O-CA 3.49Å; M123-D126 WeakPolarHBondContact O-CB 3.44Å; M123-D126 PolarHBondContact O-N 3.37Å; M123-Y127 HydrophobicContact CE-CE2 3.66Å; M123-Y127 HydrophobicContact CG-CD2 3.87Å; M123-Y127 HydrophobicContact CG-CE2 3.68Å; M123-Y127 VanDerWaalsContact O-CD2 3.27Å; M123-Y127 WeakPolarHBondContact O-CD2 3.24Å; M123-Y127 PolarHBondContact O-N 3.33Å |
| 124 | K | 98.8 | Very high | 97.8 | Very high | 39 Ų | 39 | 21 Ų | 21 | 17% | 0.17 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -55.9 | -46.7 | 175.3 | -173 | 171.7 | 179.2 | 169.8 | 0 | 112.1 | L100 L103 D104 I108 Y120 L121 K122 D126 Y127 Y128 A150 | L100-K124 HydrophobicContact CD2-CG 3.79Å; L103-K124 HydrophobicContact CD1-CB 3.91Å; D104-K124 VanDerWaalsContact CG-NZ 3.31Å; D104-K124 WeakPolarHBondContact OD1-CE 3.11Å; D104-K124 IonicContact OD1-NZ 3.57Å; D104-K124 PolarHBondContact OD1-NZ 3.01Å; D104-K124 IonicContact OD2-NZ 3.19Å; D104-K124 PolarHBondContact OD2-NZ 3.42Å; I108-K124 HydrophobicContact CD1-CB 4.43Å; I108-K124 HydrophobicContact CD1-CD 3.8Å; Y120-K124 WeakPolarHBondContact O-CB 3.39Å; Y120-K124 PolarHBondContact O-N 2.92Å; L121-K124 WeakPolarHBondContact O-CB 3.27Å; L121-K124 PolarHBondContact O-N 2.98Å; K122-K124 VanDerWaalsContact C-N 3.32Å; K122-K124 PolarHBondContact O-N 2.84Å; K124-D126 VanDerWaalsContact C-N 3.34Å; K124-D126 PolarHBondContact O-N 3.15Å; K124-Y127 PolarHBondContact O-N 3.37Å; K124-Y128 HydrophobicContact CD-CE2 4.34Å; K124-Y128 HydrophobicContact CG-CD2 4Å; K124-Y128 HydrophobicContact CG-CE2 3.78Å; K124-Y128 WeakPolarHBondContact O-CD2 3.24Å; K124-Y128 PolarHBondContact O-N 3.28Å; K124-Y128 VanDerWaalsContact O-N 3.09Å; K124-A150 HydrophobicContact CB-CB 4.03Å; K124-A150 HydrophobicContact CD-CB 4.21Å; K124-A150 HydrophobicContact CG-CB 3.93Å |
| 125 | G | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L121 K122 M123 Y127 Y128 R129 | L121-G125 PolarHBondContact O-N 3.01Å; K122-G125 PolarHBondContact O-N 3.45Å; M123-G125 VanDerWaalsContact C-N 3.34Å; M123-G125 PolarHBondContact O-N 3.05Å; G125-Y127 PolarHBondContact O-N 2.89Å; G125-Y128 PolarHBondContact O-N 2.77Å; G125-R129 VanDerWaalsContact O-CB 3.3Å; G125-R129 WeakPolarHBondContact O-CB 3.34Å; G125-R129 PolarHBondContact O-N 2.92Å |
| 126 | D | 98.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 23 Ų | 23 | 5% | 0.048 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 178.1 | -70.5 | -34.4 | 0 | 0 | 0 | 112.5 | K122 M123 K124 R129 Y130 Y151 N175 | K122-D126 IonicContact NZ-OD2 2.81Å; K122-D126 PolarHBondContact NZ-OD2 2.59Å; K122-D126 VanDerWaalsContact O-CG 3.31Å; K122-D126 PolarHBondContact O-N 3.27Å; M123-D126 WeakPolarHBondContact O-CA 3.49Å; M123-D126 WeakPolarHBondContact O-CB 3.44Å; M123-D126 PolarHBondContact O-N 3.37Å; K124-D126 VanDerWaalsContact C-N 3.34Å; K124-D126 PolarHBondContact O-N 3.15Å; D126-R129 WeakPolarHBondContact O-CB 3.49Å; D126-R129 PolarHBondContact O-N 2.98Å; D126-R129 IonicContact OD1-NH2 2.7Å; D126-Y130 HydrophobicContact CB-CE2 4.21Å; D126-Y130 WeakPolarHBondContact O-CD1 3.33Å; D126-Y130 WeakPolarHBondContact O-CD2 3.42Å; D126-Y130 WeakPolarHBondContact O-CE2 3.46Å; D126-Y130 PolarHBondContact O-N 3.17Å; D126-Y151 VanDerWaalsContact CA-OH 3.27Å; D126-Y151 WeakPolarHBondContact CA-OH 3.42Å; D126-Y151 PolarHBondContact N-OH 3.25Å; D126-Y151 PolarHBondContact OD1-OH 3.04Å; D126-N175 WeakPolarHBondContact OD1-CB 3.31Å; D126-N175 PolarHBondContact OD1-ND2 2.96Å; D126-N175 PolarHBondContact OD2-ND2 3.21Å |
| 127 | Y | 98.7 | Very high | 97 | Very high | 6 Ų | 6 | 25.9 Ų | 25.9 | 2% | 0.024 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -73.5 | -35.1 | -179.3 | -79 | -91.4 | 0 | 0 | 0 | 113 | Y48 K49 V52 V95 C96 V99 M123 K124 G125 R129 Y130 L131 | Y48-Y127 WeakPolarHBondContact CB-OH 3.45Å; Y48-Y127 PolarHBondContact O-OH 3.49Å; K49-Y127 PolarHBondContact N-OH 2.79Å; V52-Y127 HydrophobicContact CB-CE1 4.12Å; V52-Y127 HydrophobicContact CG1-CE1 4.01Å; V52-Y127 HydrophobicContact CG2-CE1 4.29Å; V95-Y127 HydrophobicContact CG1-CE1 4.44Å; C96-Y127 HydrophobicContact CB-CD1 4.13Å; V99-Y127 HydrophobicContact CB-CD1 3.91Å; V99-Y127 HydrophobicContact CB-CD2 4.29Å; V99-Y127 HydrophobicContact CB-CE1 3.96Å; V99-Y127 HydrophobicContact CB-CE2 4.39Å; V99-Y127 HydrophobicContact CB-CG 4.07Å; V99-Y127 HydrophobicContact CG1-CD1 4.06Å; V99-Y127 HydrophobicContact CG1-CD2 3.53Å; V99-Y127 HydrophobicContact CG1-CE1 4.12Å; V99-Y127 HydrophobicContact CG1-CE2 3.65Å; V99-Y127 HydrophobicContact CG1-CG 3.77Å; V99-Y127 HydrophobicContact CG2-CD1 4.13Å; V99-Y127 HydrophobicContact CG2-CE1 3.67Å; V99-Y127 HydrophobicContact CG2-CE2 4.42Å; M123-Y127 HydrophobicContact CE-CE2 3.66Å; M123-Y127 HydrophobicContact CG-CD2 3.87Å; M123-Y127 HydrophobicContact CG-CE2 3.68Å; M123-Y127 VanDerWaalsContact O-CD2 3.27Å; M123-Y127 WeakPolarHBondContact O-CD2 3.24Å; M123-Y127 PolarHBondContact O-N 3.33Å; K124-Y127 PolarHBondContact O-N 3.37Å; G125-Y127 PolarHBondContact O-N 2.89Å; Y127-R129 VanDerWaalsContact C-N 3.31Å; Y127-Y130 HydrophobicContact CD1-CD2 4.01Å; Y127-Y130 HydrophobicContact CD1-CE2 4.44Å; Y127-Y130 HydrophobicContact CD2-CE2 4.46Å; Y127-Y130 HydrophobicContact CE1-CD2 4.29Å; Y127-Y130 HydrophobicContact CE1-CE2 4.43Å; Y127-Y130 HydrophobicContact CE2-CE2 4.4Å; Y127-Y130 HydrophobicContact CG-CD2 4.21Å; Y127-Y130 HydrophobicContact CG-CE2 4.48Å; Y127-Y130 PolarHBondContact O-N 3.43Å; Y127-L131 WeakPolarHBondContact O-CG 3.42Å; Y127-L131 PolarHBondContact O-N 3.41Å |
| 128 | Y | 98.7 | Very high | 96.3 | Very high | 43 Ų | 43 | 29.9 Ų | 29.9 | 17% | 0.169 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.7 | -35.5 | 168.2 | -77.9 | -58.3 | 0 | 0 | 0 | 112.4 | L100 K124 G125 Y130 L131 A132 I143 | L100-Y128 HydrophobicContact CD1-CD1 3.86Å; L100-Y128 HydrophobicContact CD1-CE1 3.56Å; L100-Y128 HydrophobicContact CD1-CE2 4.43Å; L100-Y128 HydrophobicContact CD1-CG 4.41Å; L100-Y128 HydrophobicContact CD2-CD1 4.48Å; L100-Y128 HydrophobicContact CD2-CD2 3.88Å; L100-Y128 HydrophobicContact CD2-CE1 4.31Å; L100-Y128 HydrophobicContact CD2-CE2 3.67Å; L100-Y128 HydrophobicContact CD2-CG 4.27Å; K124-Y128 HydrophobicContact CD-CE2 4.34Å; K124-Y128 HydrophobicContact CG-CD2 4Å; K124-Y128 HydrophobicContact CG-CE2 3.78Å; K124-Y128 WeakPolarHBondContact O-CD2 3.24Å; K124-Y128 PolarHBondContact O-N 3.28Å; K124-Y128 VanDerWaalsContact O-N 3.09Å; G125-Y128 PolarHBondContact O-N 2.77Å; Y128-Y130 VanDerWaalsContact C-N 3.32Å; Y128-Y130 PolarHBondContact O-N 3.44Å; Y128-L131 HydrophobicContact CD1-CD1 4.12Å; Y128-L131 PolarHBondContact O-N 2.98Å; Y128-A132 WeakPolarHBondContact O-CB 3.49Å; Y128-A132 PolarHBondContact O-N 3.43Å; Y128-I143 HydrophobicContact CD1-CG2 4.18Å; Y128-I143 WeakPolarHBondContact O-CG2 3.38Å |
| 129 | R | 98.3 | Very high | 95.9 | Very high | 18 Ų | 18 | 34.1 Ų | 34.1 | 7% | 0.068 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 174.2 | -173.7 | 178.2 | 62.1 | 100.3 | -12.7 | 111.5 | G125 D126 Y127 A132 E133 Y151 F179 E182 I183 | G125-R129 VanDerWaalsContact O-CB 3.3Å; G125-R129 WeakPolarHBondContact O-CB 3.34Å; G125-R129 PolarHBondContact O-N 2.92Å; D126-R129 WeakPolarHBondContact O-CB 3.49Å; D126-R129 PolarHBondContact O-N 2.98Å; D126-R129 IonicContact OD1-NH2 2.7Å; Y127-R129 VanDerWaalsContact C-N 3.31Å; R129-A132 PolarHBondContact O-N 3.16Å; R129-E133 PolarHBondContact O-N 3.46Å; R129-E133 VanDerWaalsContact O-N 3.12Å; R129-Y151 PolarHBondContact NE-OH 3.35Å; R129-F179 HydrophobicContact CB-CD2 4.42Å; R129-F179 HydrophobicContact CG-CB 4.46Å; R129-F179 HydrophobicContact CG-CD2 4.15Å; R129-E182 IonicContact NH1-OE2 3.1Å; R129-I183 HydrophobicContact CG-CG1 3.68Å |
| 130 | Y | 98.4 | Very high | 95.7 | Very high | 21 Ų | 21 | 36.7 Ų | 36.7 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -39.7 | 174.8 | -55 | -29.7 | 0 | 0 | 0 | 112.3 | V52 R56 D126 Y127 Y128 E133 | V52-Y130 HydrophobicContact CB-CD2 4.5Å; V52-Y130 HydrophobicContact CG1-CD2 3.88Å; V52-Y130 HydrophobicContact CG1-CE2 3.71Å; V52-Y130 HydrophobicContact CG2-CD2 3.82Å; V52-Y130 HydrophobicContact CG2-CG 4.35Å; R56-Y130 VanDerWaalsContact NE-CD1 3.34Å; D126-Y130 HydrophobicContact CB-CE2 4.21Å; D126-Y130 WeakPolarHBondContact O-CD1 3.33Å; D126-Y130 WeakPolarHBondContact O-CD2 3.42Å; D126-Y130 WeakPolarHBondContact O-CE2 3.46Å; D126-Y130 PolarHBondContact O-N 3.17Å; Y127-Y130 HydrophobicContact CD1-CD2 4.01Å; Y127-Y130 HydrophobicContact CD1-CE2 4.44Å; Y127-Y130 HydrophobicContact CD2-CE2 4.46Å; Y127-Y130 HydrophobicContact CE1-CD2 4.29Å; Y127-Y130 HydrophobicContact CE1-CE2 4.43Å; Y127-Y130 HydrophobicContact CE2-CE2 4.4Å; Y127-Y130 HydrophobicContact CG-CD2 4.21Å; Y127-Y130 HydrophobicContact CG-CE2 4.48Å; Y127-Y130 PolarHBondContact O-N 3.43Å; Y128-Y130 VanDerWaalsContact C-N 3.32Å; Y128-Y130 PolarHBondContact O-N 3.44Å; Y130-E133 WeakPolarHBondContact O-CB 3.48Å; Y130-E133 PolarHBondContact O-N 2.85Å |
| 131 | L | 98 | Very high | 95.5 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.1 | -42 | 171.9 | -72.5 | 174.6 | 0 | 0 | 0 | 111.8 | L92 Q93 C96 L100 Y127 Y128 E133 V134 A135 I143 | L92-L131 HydrophobicContact CD2-CD2 4.29Å; Q93-L131 HydrophobicContact CB-CD2 4.12Å; Q93-L131 HydrophobicContact CG-CD2 3.99Å; C96-L131 HydrophobicContact CB-CD1 3.88Å; C96-L131 HydrophobicContact CB-CD2 3.64Å; C96-L131 HydrophobicContact CB-CG 3.59Å; L100-L131 HydrophobicContact CD1-CD1 3.71Å; Y127-L131 WeakPolarHBondContact O-CG 3.42Å; Y127-L131 PolarHBondContact O-N 3.41Å; Y128-L131 HydrophobicContact CD1-CD1 4.12Å; Y128-L131 PolarHBondContact O-N 2.98Å; L131-E133 PolarHBondContact O-N 3.19Å; L131-V134 WeakPolarHBondContact O-CG2 3.46Å; L131-V134 PolarHBondContact O-N 2.93Å; L131-A135 VanDerWaalsContact O-CB 3.24Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.15Å; L131-I143 HydrophobicContact CB-CD1 4.4Å; L131-I143 HydrophobicContact CB-CG2 3.67Å |
| 132 | A | 97.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.9 | -30 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y128 R129 V134 K140 I143 I144 I183 | Y128-A132 WeakPolarHBondContact O-CB 3.49Å; Y128-A132 PolarHBondContact O-N 3.43Å; R129-A132 PolarHBondContact O-N 3.16Å; A132-V134 VanDerWaalsContact C-N 3.33Å; A132-K140 WeakPolarHBondContact O-CE 3.36Å; A132-I143 HydrophobicContact CB-CG2 3.82Å; A132-I144 HydrophobicContact CB-CG1 3.95Å; A132-I183 HydrophobicContact CB-CG2 3.61Å |
| 133 | E | 96.4 | Very high | 95.3 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 17% | 0.168 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -40.2 | 176.3 | -178.7 | 173.1 | -158.5 | 0 | 0 | 112 | R56 W59 R60 R129 Y130 L131 I183 | R56-E133 IonicContact CZ-OE2 2.79Å; R56-E133 IonicContact NE-OE2 3.68Å; R56-E133 PolarHBondContact NE-OE2 3.01Å; R56-E133 IonicContact NH2-OE1 2.79Å; R56-E133 IonicContact NH2-OE2 3.69Å; R56-E133 PolarHBondContact NH2-OE2 3.08Å; W59-E133 HydrophobicContact CE3-CG 4.48Å; W59-E133 HydrophobicContact CH2-CG 4.43Å; W59-E133 WeakPolarHBondContact CH2-O 3.3Å; W59-E133 HydrophobicContact CZ3-CG 3.88Å; R60-E133 IonicContact CZ-OE1 3.35Å; R60-E133 IonicContact NE-OE1 2.8Å; R60-E133 PolarHBondContact NE-OE1 3.44Å; R60-E133 IonicContact NH2-OE1 3.71Å; R60-E133 PolarHBondContact NH2-OE1 3.17Å; R60-E133 IonicContact NH2-OE2 3.45Å; R129-E133 PolarHBondContact O-N 3.46Å; R129-E133 VanDerWaalsContact O-N 3.12Å; Y130-E133 WeakPolarHBondContact O-CB 3.48Å; Y130-E133 PolarHBondContact O-N 2.85Å; L131-E133 PolarHBondContact O-N 3.19Å; E133-I183 HydrophobicContact CB-CD1 4.25Å |
| 134 | V | 95.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 9% | 0.085 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -98.7 | -14.4 | -177.8 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | W59 E89 L92 L131 A132 | W59-V134 HydrophobicContact CD2-CG1 3.61Å; W59-V134 HydrophobicContact CE3-CG1 4.01Å; W59-V134 HydrophobicContact CG-CG1 3.95Å; W59-V134 HydrophobicContact CH2-CG1 4.34Å; W59-V134 HydrophobicContact CZ2-CB 4.19Å; W59-V134 HydrophobicContact CZ2-CG1 3.97Å; W59-V134 HydrophobicContact CZ3-CG1 4.36Å; E89-V134 HydrophobicContact CG-CB 4.23Å; L92-V134 HydrophobicContact CD1-CG1 3.92Å; L92-V134 HydrophobicContact CD2-CG2 4Å; L131-V134 WeakPolarHBondContact O-CG2 3.46Å; L131-V134 PolarHBondContact O-N 2.93Å; A132-V134 VanDerWaalsContact C-N 3.33Å |
| 135 | A | 93.8 | Very high | 95.2 | Very high | 17 Ų | 17 | 52.9 Ų | 52.9 | 14% | 0.14 | 27% | 0.274 | C | S | . | . | trans | -65.4 | 140.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L131 K140 I143 | L131-A135 VanDerWaalsContact O-CB 3.24Å; L131-A135 WeakPolarHBondContact O-CB 3.49Å; L131-A135 PolarHBondContact O-N 3.15Å; A135-K140 HydrophobicContact CB-CB 4.05Å; A135-K140 HydrophobicContact CB-CG 4.21Å; A135-I143 HydrophobicContact CB-CD1 3.65Å | ||
| 136 | T | 87.6 | Confident | 95.2 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 69% | 0.687 | 29% | 0.287 | S | S | * | . | trans | -123.5 | 160.1 | 173.7 | 60.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 137 | G | 88.8 | Confident | 95.2 | Very high | 63 Ų | 63 | 54.3 Ų | 54.3 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | -153.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | D139 K140 | G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 2.8Å; G137-K140 WeakPolarHBondContact O-CB 3.41Å; G137-K140 PolarHBondContact O-N 2.86Å |
| 138 | D | 84.3 | Confident | 95.2 | Very high | 161 Ų | 161 | 57.9 Ų | 57.9 | 86% | 0.861 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -26 | -168.8 | -65.7 | -25.5 | 0 | 0 | 0 | 113.6 | K140 | D138-K140 VanDerWaalsContact C-N 3.27Å; D138-K140 PolarHBondContact O-N 3.35Å |
| 139 | D | 88.7 | Confident | 95.2 | Very high | 88 Ų | 88 | 59.4 Ų | 59.4 | 47% | 0.471 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -69.1 | -25.8 | -179.2 | -78.4 | -26.8 | 0 | 0 | 0 | 113.1 | G137 K141 R142 I143 | G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 2.8Å; D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.23Å; D139-R142 VanDerWaalsContact CG-NH2 3.28Å; D139-R142 PolarHBondContact O-N 2.79Å; D139-R142 IonicContact OD1-CZ 2.75Å; D139-R142 IonicContact OD1-NE 3.13Å; D139-R142 IonicContact OD1-NH2 3.61Å; D139-R142 PolarHBondContact OD1-NH2 2.84Å; D139-R142 IonicContact OD2-NH2 3.2Å; D139-I143 HydrophobicContact CB-CD1 4.42Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 2.87Å; D139-I143 VanDerWaalsContact O-N 3.09Å |
| 140 | K | 93.8 | Very high | 95.2 | Very high | 81 Ų | 81 | 58.7 Ų | 58.7 | 35% | 0.352 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.8 | -44.4 | -176.9 | -174 | 171.3 | -170.4 | 159 | 0 | 112.1 | A132 A135 G137 D138 R142 I143 I144 | A132-K140 WeakPolarHBondContact O-CE 3.36Å; A135-K140 HydrophobicContact CB-CB 4.05Å; A135-K140 HydrophobicContact CB-CG 4.21Å; G137-K140 WeakPolarHBondContact O-CB 3.41Å; G137-K140 PolarHBondContact O-N 2.86Å; D138-K140 VanDerWaalsContact C-N 3.27Å; D138-K140 PolarHBondContact O-N 3.35Å; K140-R142 PolarHBondContact O-N 3.19Å; K140-I143 PolarHBondContact O-N 3.45Å; K140-I144 HydrophobicContact CG-CD1 3.89Å; K140-I144 HydrophobicContact CG-CG1 4.41Å; K140-I144 VanDerWaalsContact O-CG1 3.27Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.04Å |
| 141 | K | 94.8 | Very high | 95.2 | Very high | 153 Ų | 153 | 57.7 Ų | 57.7 | 67% | 0.665 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.5 | -45.3 | -179 | -176 | 176.3 | 178.9 | 179.3 | 0 | 111.9 | D139 I143 I144 D145 | D139-K141 VanDerWaalsContact C-N 3.32Å; D139-K141 PolarHBondContact O-N 3.23Å; K141-I143 VanDerWaalsContact C-N 3.32Å; K141-I143 PolarHBondContact O-N 2.87Å; K141-I144 PolarHBondContact O-N 2.83Å; K141-D145 PolarHBondContact O-N 3.47Å |
| 142 | R | 96 | Very high | 95.2 | Very high | 154 Ų | 154 | 61.1 Ų | 61.1 | 58% | 0.581 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -61.9 | -39.8 | 178.4 | 176.2 | 177 | 56.6 | 145.7 | -1.9 | 111.9 | D139 K140 S146 | D139-R142 VanDerWaalsContact CG-NH2 3.28Å; D139-R142 PolarHBondContact O-N 2.79Å; D139-R142 IonicContact OD1-CZ 2.75Å; D139-R142 IonicContact OD1-NE 3.13Å; D139-R142 IonicContact OD1-NH2 3.61Å; D139-R142 PolarHBondContact OD1-NH2 2.84Å; D139-R142 IonicContact OD2-NH2 3.2Å; K140-R142 PolarHBondContact O-N 3.19Å; R142-S146 WeakPolarHBondContact O-CB 3.43Å; R142-S146 PolarHBondContact O-N 3.31Å; R142-S146 PolarHBondContact O-OG 3.18Å |
| 143 | I | 97.7 | Very high | 95.3 | Very high | 27 Ų | 27 | 65.6 Ų | 65.6 | 14% | 0.138 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 177.1 | -64.4 | 165.4 | 0 | 0 | 0 | 110.5 | Y128 L131 A132 A135 D139 K140 K141 D145 S146 A147 | Y128-I143 HydrophobicContact CD1-CG2 4.18Å; Y128-I143 WeakPolarHBondContact O-CG2 3.38Å; L131-I143 HydrophobicContact CB-CD1 4.4Å; L131-I143 HydrophobicContact CB-CG2 3.67Å; A132-I143 HydrophobicContact CB-CG2 3.82Å; A135-I143 HydrophobicContact CB-CD1 3.65Å; D139-I143 HydrophobicContact CB-CD1 4.42Å; D139-I143 WeakPolarHBondContact O-CG1 3.41Å; D139-I143 PolarHBondContact O-N 2.87Å; D139-I143 VanDerWaalsContact O-N 3.09Å; K140-I143 PolarHBondContact O-N 3.45Å; K141-I143 VanDerWaalsContact C-N 3.32Å; K141-I143 PolarHBondContact O-N 2.87Å; I143-D145 PolarHBondContact O-N 3.1Å; I143-S146 WeakPolarHBondContact O-CB 3.01Å; I143-S146 PolarHBondContact O-N 3.42Å; I143-A147 PolarHBondContact O-N 3.41Å |
| 144 | I | 97.7 | Very high | 95.4 | Very high | 25 Ų | 25 | 63.9 Ų | 63.9 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 175.9 | -68.8 | 173.5 | 0 | 0 | 0 | 111 | A132 K140 K141 S146 A147 R148 F179 I183 | A132-I144 HydrophobicContact CB-CG1 3.95Å; K140-I144 HydrophobicContact CG-CD1 3.89Å; K140-I144 HydrophobicContact CG-CG1 4.41Å; K140-I144 VanDerWaalsContact O-CG1 3.27Å; K140-I144 WeakPolarHBondContact O-CG1 3.33Å; K140-I144 PolarHBondContact O-N 3.04Å; K141-I144 PolarHBondContact O-N 2.83Å; I144-S146 VanDerWaalsContact C-N 3.28Å; I144-S146 PolarHBondContact O-N 3.43Å; I144-A147 PolarHBondContact O-N 3.41Å; I144-R148 WeakPolarHBondContact O-CB 3.47Å; I144-R148 PolarHBondContact O-N 3.18Å; I144-F179 HydrophobicContact CG2-CE2 4.2Å; I144-F179 HydrophobicContact CG2-CZ 3.84Å; I144-I183 HydrophobicContact CD1-CG2 4.15Å; I144-I183 HydrophobicContact CG1-CG2 3.74Å |
| 145 | D | 97.6 | Very high | 95.6 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 38% | 0.38 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.9 | -35.9 | 178.6 | -70.3 | -24.7 | 0 | 0 | 0 | 111.6 | K141 I143 R148 S149 | K141-D145 PolarHBondContact O-N 3.47Å; I143-D145 PolarHBondContact O-N 3.1Å; D145-R148 PolarHBondContact O-N 3.07Å; D145-R148 IonicContact OD1-NH1 2.88Å; D145-R148 PolarHBondContact OD1-NH1 3.33Å; D145-R148 VanDerWaalsContact OD1-NH1 3.13Å; D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.93Å |
| 146 | S | 98.4 | Very high | 95.8 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 175.5 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | R142 I143 I144 S149 A150 | R142-S146 WeakPolarHBondContact O-CB 3.43Å; R142-S146 PolarHBondContact O-N 3.31Å; R142-S146 PolarHBondContact O-OG 3.18Å; I143-S146 WeakPolarHBondContact O-CB 3.01Å; I143-S146 PolarHBondContact O-N 3.42Å; I144-S146 VanDerWaalsContact C-N 3.28Å; I144-S146 PolarHBondContact O-N 3.43Å; S146-S149 PolarHBondContact O-N 3.4Å; S146-A150 PolarHBondContact O-N 3.16Å; S146-A150 VanDerWaalsContact O-N 3.09Å |
| 147 | A | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.5 | -50.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | I143 I144 S149 A150 Y151 F179 | I143-A147 PolarHBondContact O-N 3.41Å; I144-A147 PolarHBondContact O-N 3.41Å; A147-S149 VanDerWaalsContact C-N 3.34Å; A147-S149 PolarHBondContact O-N 3.37Å; A147-A150 PolarHBondContact O-N 2.99Å; A147-Y151 WeakPolarHBondContact O-CD2 3.33Å; A147-Y151 PolarHBondContact O-N 3.3Å; A147-F179 HydrophobicContact CB-CD2 3.96Å; A147-F179 HydrophobicContact CB-CE2 3.49Å; A147-F179 VanDerWaalsContact CB-CE2 3.49Å; A147-F179 HydrophobicContact CB-CZ 4.12Å |
| 148 | R | 98.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 60 Ų | 60 | 31% | 0.309 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.4 | -45.8 | 179 | -174.2 | -178 | -71.3 | 125.6 | -5.6 | 111.4 | I144 D145 A150 Y151 Q152 F176 F179 | I144-R148 WeakPolarHBondContact O-CB 3.47Å; I144-R148 PolarHBondContact O-N 3.18Å; D145-R148 PolarHBondContact O-N 3.07Å; D145-R148 IonicContact OD1-NH1 2.88Å; D145-R148 PolarHBondContact OD1-NH1 3.33Å; D145-R148 VanDerWaalsContact OD1-NH1 3.13Å; R148-A150 PolarHBondContact O-N 3.45Å; R148-Y151 PolarHBondContact O-N 2.9Å; R148-Q152 VanDerWaalsContact O-CB 3.31Å; R148-Q152 WeakPolarHBondContact O-CB 3.37Å; R148-Q152 PolarHBondContact O-N 3.15Å; R148-F176 HydrophobicContact CG-CZ 4.48Å; R148-F179 HydrophobicContact CB-CE1 3.91Å; R148-F179 HydrophobicContact CB-CZ 3.89Å; R148-F179 HydrophobicContact CG-CE1 4.33Å |
| 149 | S | 98.6 | Very high | 97.4 | Very high | 75 Ų | 75 | 57.6 Ų | 57.6 | 52% | 0.524 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.9 | -46.5 | 179 | -171.8 | 0 | 0 | 0 | 0 | 111.8 | D145 S146 A147 Q152 E153 | D145-S149 WeakPolarHBondContact O-CB 3.37Å; D145-S149 PolarHBondContact O-N 2.93Å; S146-S149 PolarHBondContact O-N 3.4Å; A147-S149 VanDerWaalsContact C-N 3.34Å; A147-S149 PolarHBondContact O-N 3.37Å; S149-Q152 PolarHBondContact O-N 3.27Å; S149-E153 WeakPolarHBondContact O-CB 3.29Å; S149-E153 PolarHBondContact O-N 2.96Å |
| 150 | A | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 61.7 Ų | 61.7 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | K124 S146 A147 R148 A154 | K124-A150 HydrophobicContact CB-CB 4.03Å; K124-A150 HydrophobicContact CD-CB 4.21Å; K124-A150 HydrophobicContact CG-CB 3.93Å; S146-A150 PolarHBondContact O-N 3.16Å; S146-A150 VanDerWaalsContact O-N 3.09Å; A147-A150 PolarHBondContact O-N 2.99Å; R148-A150 PolarHBondContact O-N 3.45Å; A150-A154 WeakPolarHBondContact O-CB 3.19Å; A150-A154 PolarHBondContact O-N 3.48Å; A150-A154 VanDerWaalsContact O-N 3.12Å |
| 151 | Y | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -66.1 | -42.8 | 175.8 | -74.2 | -54.9 | 0 | 0 | 0 | 112.5 | K122 D126 R129 A147 R148 A154 M155 L172 N175 F176 F179 | K122-Y151 HydrophobicContact CG-CE1 4.49Å; D126-Y151 VanDerWaalsContact CA-OH 3.27Å; D126-Y151 WeakPolarHBondContact CA-OH 3.42Å; D126-Y151 PolarHBondContact N-OH 3.25Å; D126-Y151 PolarHBondContact OD1-OH 3.04Å; R129-Y151 PolarHBondContact NE-OH 3.35Å; A147-Y151 WeakPolarHBondContact O-CD2 3.33Å; A147-Y151 PolarHBondContact O-N 3.3Å; R148-Y151 PolarHBondContact O-N 2.9Å; Y151-A154 WeakPolarHBondContact O-CB 3.33Å; Y151-A154 PolarHBondContact O-N 3.04Å; Y151-M155 WeakPolarHBondContact O-CG 3.31Å; Y151-M155 PolarHBondContact O-N 3.16Å; Y151-L172 HydrophobicContact CD1-CD1 3.67Å; Y151-L172 HydrophobicContact CE1-CD1 4.39Å; Y151-N175 HydrophobicContact CE1-CB 4.18Å; Y151-F176 VanDerWaalsContact CB-CE2 3.42Å; Y151-F176 HydrophobicContact CD1-CB 4.04Å; Y151-F176 HydrophobicContact CD1-CD2 4.35Å; Y151-F176 HydrophobicContact CD1-CG 4.3Å; Y151-F176 AromaticContact CD2-CD2 3.46Å; Y151-F176 HydrophobicContact CD2-CD2 3.46Å; Y151-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y151-F176 AromaticContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CG 4.21Å; Y151-F176 HydrophobicContact CE2-CD2 4.29Å; Y151-F176 HydrophobicContact CG-CB 4.02Å; Y151-F176 AromaticContact CG-CD2 3.48Å; Y151-F176 HydrophobicContact CG-CD2 3.48Å; Y151-F176 VanDerWaalsContact CG-CD2 3.48Å; Y151-F176 AromaticContact CG-CE2 3.99Å; Y151-F176 HydrophobicContact CG-CE2 3.99Å; Y151-F176 AromaticContact CG-CG 3.8Å; Y151-F176 HydrophobicContact CG-CG 3.8Å; Y151-F179 HydrophobicContact CD2-CB 4.21Å; Y151-F179 HydrophobicContact CD2-CD1 4.36Å; Y151-F179 HydrophobicContact CD2-CG 4.11Å; Y151-F179 HydrophobicContact CE2-CB 3.71Å; Y151-F179 HydrophobicContact CE2-CD2 4.17Å; Y151-F179 AromaticContact CE2-CG 3.91Å; Y151-F179 HydrophobicContact CE2-CG 3.91Å |
| 152 | Q | 98.6 | Very high | 98 | Very high | 83 Ų | 83 | 55.5 Ų | 55.5 | 39% | 0.388 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 179.8 | -173.1 | 60.5 | 54.1 | 0 | 0 | 111.5 | R148 S149 A154 M155 D156 | R148-Q152 VanDerWaalsContact O-CB 3.31Å; R148-Q152 WeakPolarHBondContact O-CB 3.37Å; R148-Q152 PolarHBondContact O-N 3.15Å; S149-Q152 PolarHBondContact O-N 3.27Å; Q152-A154 VanDerWaalsContact C-N 3.3Å; Q152-A154 PolarHBondContact O-N 2.81Å; Q152-M155 WeakPolarHBondContact O-CB 3.43Å; Q152-M155 PolarHBondContact O-N 2.99Å; Q152-M155 VanDerWaalsContact O-N 3.09Å; Q152-D156 PolarHBondContact NE2-OD1 2.98Å; Q152-D156 VanDerWaalsContact O-CG 3.24Å; Q152-D156 PolarHBondContact O-N 3.35Å |
| 153 | E | 98.5 | Very high | 98 | Very high | 95 Ų | 95 | 51.5 Ų | 51.5 | 44% | 0.444 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 175 | -169.8 | -178.7 | 169.9 | 0 | 0 | 111.4 | L121 S149 M155 D156 I157 | L121-E153 HydrophobicContact CD1-CB 4.26Å; L121-E153 HydrophobicContact CD1-CG 3.8Å; L121-E153 HydrophobicContact CD2-CB 4.5Å; L121-E153 HydrophobicContact CD2-CG 4.36Å; S149-E153 WeakPolarHBondContact O-CB 3.29Å; S149-E153 PolarHBondContact O-N 2.96Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.13Å; E153-D156 PolarHBondContact O-N 3.29Å; E153-I157 HydrophobicContact CG-CD1 4.44Å; E153-I157 WeakPolarHBondContact O-CG1 3.44Å; E153-I157 PolarHBondContact O-N 3.36Å |
| 154 | A | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V118 L121 A150 Y151 Q152 S158 L172 | V118-A154 HydrophobicContact CG1-CB 4.38Å; L121-A154 HydrophobicContact CB-CB 3.69Å; A150-A154 WeakPolarHBondContact O-CB 3.19Å; A150-A154 PolarHBondContact O-N 3.48Å; A150-A154 VanDerWaalsContact O-N 3.12Å; Y151-A154 WeakPolarHBondContact O-CB 3.33Å; Y151-A154 PolarHBondContact O-N 3.04Å; Q152-A154 VanDerWaalsContact C-N 3.3Å; Q152-A154 PolarHBondContact O-N 2.81Å; A154-S158 VanDerWaalsContact O-CB 3.24Å; A154-S158 WeakPolarHBondContact O-CB 3.38Å; A154-S158 PolarHBondContact O-N 2.66Å; A154-S158 PolarHBondContact O-OG 3.14Å; A154-L172 VanDerWaalsContact C-CD2 3.4Å; A154-L172 HydrophobicContact CB-CD1 3.71Å; A154-L172 HydrophobicContact CB-CD2 3.55Å; A154-L172 HydrophobicContact CB-CG 4.29Å; A154-L172 WeakPolarHBondContact O-CD2 3.26Å |
| 155 | M | 98.5 | Very high | 97.9 | Very high | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 178.7 | -75.6 | -59.4 | -55.8 | 0 | 0 | 111.3 | Y151 Q152 E153 S158 K159 L172 F176 L193 | Y151-M155 WeakPolarHBondContact O-CG 3.31Å; Y151-M155 PolarHBondContact O-N 3.16Å; Q152-M155 WeakPolarHBondContact O-CB 3.43Å; Q152-M155 PolarHBondContact O-N 2.99Å; Q152-M155 VanDerWaalsContact O-N 3.09Å; E153-M155 VanDerWaalsContact C-N 3.34Å; E153-M155 PolarHBondContact O-N 3.13Å; M155-S158 WeakPolarHBondContact CA-OG 3.48Å; M155-S158 PolarHBondContact O-N 3Å; M155-S158 PolarHBondContact O-OG 3.36Å; M155-S158 VanDerWaalsContact O-OG 3.13Å; M155-K159 HydrophobicContact CE-CD 4.36Å; M155-K159 HydrophobicContact CE-CG 4.36Å; M155-K159 WeakPolarHBondContact O-CB 3.17Å; M155-K159 VanDerWaalsContact O-CG 3.32Å; M155-K159 WeakPolarHBondContact O-CG 3.16Å; M155-K159 PolarHBondContact O-N 2.87Å; M155-L172 HydrophobicContact CB-CD2 4.49Å; M155-L172 HydrophobicContact CG-CD2 3.98Å; M155-L172 HydrophobicContact CG-CG 4.3Å; M155-L172 HydrophobicContact SD-CD1 4.47Å; M155-L172 HydrophobicContact SD-CD2 3.46Å; M155-L172 WeakPolarHBondContact SD-CD2 3.5Å; M155-L172 HydrophobicContact SD-CG 3.59Å; M155-L172 VanDerWaalsContact SD-CG 3.59Å; M155-F176 HydrophobicContact CG-CD1 3.6Å; M155-F176 HydrophobicContact CG-CE1 3.87Å; M155-F176 HydrophobicContact SD-CD1 4.31Å; M155-L193 HydrophobicContact CE-CD1 3.87Å |
| 156 | D | 98.3 | Very high | 97.8 | Very high | 94 Ų | 94 | 47.7 Ų | 47.7 | 50% | 0.503 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.4 | -42.9 | -179.7 | -67.1 | -15.2 | 0 | 0 | 0 | 111.4 | Q152 E153 K160 | Q152-D156 PolarHBondContact NE2-OD1 2.98Å; Q152-D156 VanDerWaalsContact O-CG 3.24Å; Q152-D156 PolarHBondContact O-N 3.35Å; E153-D156 PolarHBondContact O-N 3.29Å; D156-K160 WeakPolarHBondContact O-CB 3.2Å; D156-K160 PolarHBondContact O-N 2.68Å |
| 157 | I | 98.4 | Very high | 97.7 | Very high | 25 Ų | 25 | 47.1 Ų | 47.1 | 13% | 0.128 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.2 | -49 | 175.5 | -61.5 | 167.3 | 0 | 0 | 0 | 110.3 | A114 R117 V118 L121 E153 K159 K160 E161 | A114-I157 HydrophobicContact CB-CG2 4.31Å; R117-I157 HydrophobicContact CB-CD1 4.48Å; V118-I157 HydrophobicContact CG2-CB 3.83Å; V118-I157 HydrophobicContact CG2-CG2 3.61Å; L121-I157 HydrophobicContact CD1-CD1 3.72Å; E153-I157 HydrophobicContact CG-CD1 4.44Å; E153-I157 WeakPolarHBondContact O-CG1 3.44Å; E153-I157 PolarHBondContact O-N 3.36Å; I157-K159 PolarHBondContact O-N 3.24Å; I157-K160 PolarHBondContact O-N 2.89Å; I157-E161 PolarHBondContact O-N 3.13Å |
| 158 | S | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.4 | -38 | -174.5 | 61.5 | 0 | 0 | 0 | 0 | 113.2 | A154 M155 K160 M162 | A154-S158 VanDerWaalsContact O-CB 3.24Å; A154-S158 WeakPolarHBondContact O-CB 3.38Å; A154-S158 PolarHBondContact O-N 2.66Å; A154-S158 PolarHBondContact O-OG 3.14Å; M155-S158 WeakPolarHBondContact CA-OG 3.48Å; M155-S158 PolarHBondContact O-N 3Å; M155-S158 PolarHBondContact O-OG 3.36Å; M155-S158 VanDerWaalsContact O-OG 3.13Å; S158-K160 VanDerWaalsContact C-N 3.25Å; S158-K160 PolarHBondContact O-N 2.65Å; S158-M162 WeakPolarHBondContact O-CA 2.99Å; S158-M162 VanDerWaalsContact O-CB 3.3Å; S158-M162 WeakPolarHBondContact O-CB 3.13Å; S158-M162 PolarHBondContact O-N 3.45Å |
| 159 | K | 97.3 | Very high | 97.6 | Very high | 111 Ų | 111 | 45.4 Ų | 45.4 | 48% | 0.483 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.6 | -32.1 | 174.9 | -77.7 | -178.9 | 175.2 | 180 | 0 | 112.8 | M155 I157 | M155-K159 HydrophobicContact CE-CD 4.36Å; M155-K159 HydrophobicContact CE-CG 4.36Å; M155-K159 WeakPolarHBondContact O-CB 3.17Å; M155-K159 VanDerWaalsContact O-CG 3.32Å; M155-K159 WeakPolarHBondContact O-CG 3.16Å; M155-K159 PolarHBondContact O-N 2.87Å; I157-K159 PolarHBondContact O-N 3.24Å |
| 160 | K | 97.3 | Very high | 97.6 | Very high | 173 Ų | 173 | 41.8 Ų | 41.8 | 75% | 0.752 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -83.6 | -38.7 | -177.8 | -177.7 | -177.6 | 169.3 | -172.4 | 0 | 112.9 | D156 I157 S158 | D156-K160 WeakPolarHBondContact O-CB 3.2Å; D156-K160 PolarHBondContact O-N 2.68Å; I157-K160 PolarHBondContact O-N 2.89Å; S158-K160 VanDerWaalsContact C-N 3.25Å; S158-K160 PolarHBondContact O-N 2.65Å |
| 161 | E | 97.6 | Very high | 97.6 | Very high | 94 Ų | 94 | 42.1 Ų | 42.1 | 44% | 0.439 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -115.5 | -6.4 | -165.1 | -61 | -174 | -136.6 | 0 | 0 | 113.8 | A114 R117 I157 | A114-E161 HydrophobicContact CB-CB 3.83Å; A114-E161 VanDerWaalsContact CB-OE2 3.32Å; A114-E161 WeakPolarHBondContact CB-OE2 3.31Å; R117-E161 IonicContact NH2-OE1 3.85Å; R117-E161 PolarHBondContact NH2-OE1 2.88Å; R117-E161 IonicContact NH2-OE2 3.73Å; R117-E161 PolarHBondContact NH2-OE2 3.47Å; R117-E161 VanDerWaalsContact NH2-OE2 3.09Å; I157-E161 PolarHBondContact O-N 3.13Å |
| 162 | M | 96.3 | Very high | 97.6 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -129 | 138.8 | -174 | -52.1 | 172.7 | 68.8 | 0 | 0 | 111.8 | E115 V118 S158 N166 I168 R169 | E115-M162 HydrophobicContact CG-CE 4.07Å; V118-M162 HydrophobicContact CB-SD 3.99Å; V118-M162 HydrophobicContact CG1-SD 4.07Å; V118-M162 HydrophobicContact CG2-SD 3.76Å; S158-M162 WeakPolarHBondContact O-CA 2.99Å; S158-M162 VanDerWaalsContact O-CB 3.3Å; S158-M162 WeakPolarHBondContact O-CB 3.13Å; S158-M162 PolarHBondContact O-N 3.45Å; M162-N166 HydrophobicContact CB-CB 4.31Å; M162-N166 HydrophobicContact CE-CB 4.15Å; M162-N166 WeakPolarHBondContact CE-OD1 3.36Å; M162-I168 HydrophobicContact CE-CB 3.79Å; M162-I168 HydrophobicContact CE-CG2 4.02Å; M162-R169 HydrophobicContact CB-CB 4.43Å; M162-R169 HydrophobicContact CE-CB 4.38Å; M162-R169 PolarHBondContact O-NH1 3.11Å |
| 163 | P | 95.9 | Very high | 97.6 | Very high | 70 Ų | 70 | 38.2 Ų | 38.2 | 46% | 0.455 | 19% | 0.191 | S | C | . | . | trans | -65.8 | 152.4 | 177.7 | 27.2 | -32.8 | 0 | 0 | 0 | 111.1 | T165 N166 | P163-T165 PolarHBondContact O-N 3.42Å; P163-T165 VanDerWaalsContact O-N 3.09Å; P163-N166 HydrophobicContact CG-CB 4.05Å; P163-N166 VanDerWaalsContact O-CB 3.31Å; P163-N166 WeakPolarHBondContact O-CB 3.18Å; P163-N166 PolarHBondContact O-N 2.91Å | ||
| 164 | P | 96.8 | Very high | 97.6 | Very high | 21 Ų | 21 | 34.5 Ų | 34.5 | 14% | 0.136 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -27.4 | -179.3 | -26.9 | 35.8 | 0 | 0 | 0 | 114.5 | L170 E200 D204 | P164-L170 WeakPolarHBondContact O-CD2 3.33Å; P164-E200 HydrophobicContact CB-CB 3.98Å; P164-E200 HydrophobicContact CG-CB 4.43Å; P164-D204 WeakPolarHBondContact CD-OD2 3.27Å; P164-D204 WeakPolarHBondContact CG-OD2 3.46Å |
| 165 | T | 96.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 36 Ų | 36 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.8 | -179.9 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | P163 A201 D204 S216 | P163-T165 PolarHBondContact O-N 3.42Å; P163-T165 VanDerWaalsContact O-N 3.09Å; T165-A201 HydrophobicContact CG2-CB 4.5Å; T165-A201 WeakPolarHBondContact CG2-O 3.45Å; T165-D204 HydrophobicContact CG2-CB 3.8Å; T165-D204 WeakPolarHBondContact CG2-O 3.31Å; T165-S216 WeakPolarHBondContact O-CB 3.32Å; T165-S216 PolarHBondContact O-OG 2.96Å |
| 166 | N | 95.7 | Very high | 97.6 | Very high | 17 Ų | 17 | 36 Ų | 36 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | trans | -65.4 | 128.9 | 178.9 | -177.7 | -69 | 0 | 0 | 0 | 110.7 | E115 M162 P163 I168 R169 L170 | E115-N166 PolarHBondContact OE1-ND2 3.49Å; M162-N166 HydrophobicContact CB-CB 4.31Å; M162-N166 HydrophobicContact CE-CB 4.15Å; M162-N166 WeakPolarHBondContact CE-OD1 3.36Å; P163-N166 HydrophobicContact CG-CB 4.05Å; P163-N166 VanDerWaalsContact O-CB 3.31Å; P163-N166 WeakPolarHBondContact O-CB 3.18Å; P163-N166 PolarHBondContact O-N 2.91Å; N166-I168 VanDerWaalsContact C-N 3.29Å; N166-I168 PolarHBondContact O-N 3.09Å; N166-I168 WeakPolarHBondContact OD1-CA 3.4Å; N166-I168 WeakPolarHBondContact OD1-CB 3.44Å; N166-I168 PolarHBondContact OD1-N 3.48Å; N166-R169 HydrophobicContact CB-CB 4.2Å; N166-R169 PolarHBondContact O-N 3.21Å; N166-R169 VanDerWaalsContact O-N 3.16Å; N166-R169 PolarHBondContact OD1-N 3.37Å; N166-L170 WeakPolarHBondContact O-CG 3.09Å; N166-L170 PolarHBondContact O-N 3.45Å | ||
| 167 | P | 96.4 | Very high | 97.6 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 18% | 0.175 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -30.5 | -175 | 23.9 | -33.6 | 0 | 0 | 0 | 113.7 | G171 D215 I219 | P167-G171 PolarHBondContact O-N 3.02Å; P167-D215 HydrophobicContact CB-CB 4.05Å; P167-I219 HydrophobicContact CB-CD1 4.09Å; P167-I219 VanDerWaalsContact O-CD1 3.26Å; P167-I219 WeakPolarHBondContact O-CD1 3.49Å |
| 168 | I | 97.2 | Very high | 97.6 | Very high | 27 Ų | 27 | 31.1 Ų | 31.1 | 14% | 0.138 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.8 | -43 | 176.5 | -63.1 | 169.2 | 0 | 0 | 0 | 110.3 | E115 V118 F119 M162 N166 G171 L172 | E115-I168 HydrophobicContact CB-CD1 3.91Å; E115-I168 HydrophobicContact CG-CD1 4.48Å; V118-I168 HydrophobicContact CB-CG2 4.31Å; V118-I168 HydrophobicContact CG1-CG2 3.76Å; F119-I168 HydrophobicContact CB-CG2 4.42Å; F119-I168 HydrophobicContact CD2-CD1 4.48Å; M162-I168 HydrophobicContact CE-CB 3.79Å; M162-I168 HydrophobicContact CE-CG2 4.02Å; N166-I168 VanDerWaalsContact C-N 3.29Å; N166-I168 PolarHBondContact O-N 3.09Å; N166-I168 WeakPolarHBondContact OD1-CA 3.4Å; N166-I168 WeakPolarHBondContact OD1-CB 3.44Å; N166-I168 PolarHBondContact OD1-N 3.48Å; I168-G171 PolarHBondContact O-N 2.87Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 PolarHBondContact O-N 3.12Å |
| 169 | R | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 31.1 Ų | 31.1 | 7% | 0.068 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -63 | -45.8 | 175.4 | 176.6 | 177.7 | 167.9 | 171.2 | -4.8 | 111.1 | M162 N166 L172 A173 E200 | M162-R169 HydrophobicContact CB-CB 4.43Å; M162-R169 HydrophobicContact CE-CB 4.38Å; M162-R169 PolarHBondContact O-NH1 3.11Å; N166-R169 HydrophobicContact CB-CB 4.2Å; N166-R169 PolarHBondContact O-N 3.21Å; N166-R169 VanDerWaalsContact O-N 3.16Å; N166-R169 PolarHBondContact OD1-N 3.37Å; R169-L172 WeakPolarHBondContact O-CB 3.48Å; R169-L172 PolarHBondContact O-N 3.29Å; R169-A173 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-N 3.08Å; R169-E200 IonicContact CZ-OE2 3.81Å; R169-E200 IonicContact NH2-OE2 2.76Å; R169-E200 PolarHBondContact NH2-OE2 3.4Å |
| 170 | L | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 175.5 | -71.9 | 173.8 | 0 | 0 | 0 | 111.6 | P164 N166 L172 A173 L174 T197 A201 I219 M220 L223 | P164-L170 WeakPolarHBondContact O-CD2 3.33Å; N166-L170 WeakPolarHBondContact O-CG 3.09Å; N166-L170 PolarHBondContact O-N 3.45Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.48Å; L170-A173 PolarHBondContact O-N 2.95Å; L170-L174 PolarHBondContact O-N 3.42Å; L170-T197 HydrophobicContact CD2-CG2 3.7Å; L170-A201 HydrophobicContact CD2-CB 3.71Å; L170-I219 HydrophobicContact CB-CB 4.17Å; L170-I219 HydrophobicContact CB-CD1 4.38Å; L170-I219 HydrophobicContact CB-CG2 3.63Å; L170-M220 HydrophobicContact CD1-CG 3.98Å; L170-M220 HydrophobicContact CD1-SD 4.39Å; L170-M220 HydrophobicContact CD2-CG 4.18Å; L170-L223 HydrophobicContact CD2-CD1 4.27Å |
| 171 | G | 98.3 | Very high | 97.7 | Very high | 10 Ų | 10 | 20.9 Ų | 20.9 | 10% | 0.103 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -64.6 | -33.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | K122 P167 I168 N175 | K122-G171 WeakPolarHBondContact CE-O 3.37Å; P167-G171 PolarHBondContact O-N 3.02Å; I168-G171 PolarHBondContact O-N 2.87Å; G171-N175 PolarHBondContact O-N 3.42Å; G171-N175 VanDerWaalsContact O-N 3.12Å |
| 172 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.3 | -52.3 | 171.4 | 166.7 | 65.3 | 0 | 0 | 0 | 111 | V118 K122 Y151 A154 M155 I168 R169 L170 L174 N175 F176 | V118-L172 HydrophobicContact CG1-CD2 3.97Å; K122-L172 HydrophobicContact CB-CB 4.49Å; K122-L172 HydrophobicContact CB-CD1 3.91Å; K122-L172 HydrophobicContact CD-CB 4.06Å; K122-L172 HydrophobicContact CG-CB 4.24Å; K122-L172 HydrophobicContact CG-CD1 3.96Å; Y151-L172 HydrophobicContact CD1-CD1 3.67Å; Y151-L172 HydrophobicContact CE1-CD1 4.39Å; A154-L172 VanDerWaalsContact C-CD2 3.4Å; A154-L172 HydrophobicContact CB-CD1 3.71Å; A154-L172 HydrophobicContact CB-CD2 3.55Å; A154-L172 HydrophobicContact CB-CG 4.29Å; A154-L172 WeakPolarHBondContact O-CD2 3.26Å; M155-L172 HydrophobicContact CB-CD2 4.49Å; M155-L172 HydrophobicContact CG-CD2 3.98Å; M155-L172 HydrophobicContact CG-CG 4.3Å; M155-L172 HydrophobicContact SD-CD1 4.47Å; M155-L172 HydrophobicContact SD-CD2 3.46Å; M155-L172 WeakPolarHBondContact SD-CD2 3.5Å; M155-L172 HydrophobicContact SD-CG 3.59Å; M155-L172 VanDerWaalsContact SD-CG 3.59Å; I168-L172 WeakPolarHBondContact O-CB 3.47Å; I168-L172 PolarHBondContact O-N 3.12Å; R169-L172 WeakPolarHBondContact O-CB 3.48Å; R169-L172 PolarHBondContact O-N 3.29Å; L170-L172 VanDerWaalsContact C-N 3.29Å; L170-L172 PolarHBondContact O-N 3.48Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.44Å; L172-N175 PolarHBondContact O-N 3.5Å; L172-F176 WeakPolarHBondContact O-CB 3.49Å; L172-F176 PolarHBondContact O-N 2.93Å |
| 173 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -62.9 | -37.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R169 L170 S177 T197 | R169-A173 PolarHBondContact O-N 2.87Å; R169-A173 VanDerWaalsContact O-N 3.08Å; L170-A173 PolarHBondContact O-N 2.95Å; A173-S177 WeakPolarHBondContact O-CB 3.26Å; A173-S177 PolarHBondContact O-N 2.9Å; A173-S177 PolarHBondContact O-OG 2.88Å; A173-T197 HydrophobicContact CB-CG2 3.58Å; A173-T197 WeakPolarHBondContact CB-OG1 3.31Å |
| 174 | L | 98.7 | Very high | 97.8 | Very high | 18 Ų | 18 | 19.7 Ų | 19.7 | 9% | 0.094 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -58.6 | -50.7 | 172.4 | 175.7 | 63.8 | 0 | 0 | 0 | 111 | L170 L172 S177 V178 I219 L222 L223 N226 | L170-L174 PolarHBondContact O-N 3.42Å; L172-L174 VanDerWaalsContact C-N 3.31Å; L172-L174 PolarHBondContact O-N 3.44Å; L174-S177 PolarHBondContact O-OG 2.99Å; L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.37Å; L174-I219 HydrophobicContact CB-CG2 4.22Å; L174-I219 HydrophobicContact CD2-CG2 4.1Å; L174-L222 HydrophobicContact CD1-CB 4.11Å; L174-L222 HydrophobicContact CD2-CB 3.89Å; L174-L222 HydrophobicContact CD2-CD1 3.85Å; L174-L223 HydrophobicContact CB-CD2 3.95Å; L174-L223 HydrophobicContact CB-CG 4.24Å; L174-L223 HydrophobicContact CD1-CD2 3.95Å; L174-L223 HydrophobicContact CD1-CG 4.18Å; L174-N226 WeakPolarHBondContact CD1-ND2 3.21Å |
| 175 | N | 98.6 | Very high | 97.7 | Very high | 31 Ų | 31 | 25.4 Ų | 25.4 | 17% | 0.166 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -70.9 | -35.5 | -177.5 | -77.4 | 15.8 | 0 | 0 | 0 | 112.7 | K122 D126 Y151 G171 L172 V178 F179 | K122-N175 WeakPolarHBondContact CE-ND2 3.23Å; K122-N175 PolarHBondContact NZ-ND2 2.87Å; D126-N175 WeakPolarHBondContact OD1-CB 3.31Å; D126-N175 PolarHBondContact OD1-ND2 2.96Å; D126-N175 PolarHBondContact OD2-ND2 3.21Å; Y151-N175 HydrophobicContact CE1-CB 4.18Å; G171-N175 PolarHBondContact O-N 3.42Å; G171-N175 VanDerWaalsContact O-N 3.12Å; L172-N175 PolarHBondContact O-N 3.5Å; N175-V178 PolarHBondContact O-N 3.33Å; N175-F179 PolarHBondContact O-N 3.49Å |
| 176 | F | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 26.3 Ų | 26.3 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -72.3 | -36.3 | 178.8 | -168 | -160.8 | 0 | 0 | 0 | 111.8 | R148 Y151 M155 L172 V178 F179 H180 L193 | R148-F176 HydrophobicContact CG-CZ 4.48Å; Y151-F176 VanDerWaalsContact CB-CE2 3.42Å; Y151-F176 HydrophobicContact CD1-CB 4.04Å; Y151-F176 HydrophobicContact CD1-CD2 4.35Å; Y151-F176 HydrophobicContact CD1-CG 4.3Å; Y151-F176 AromaticContact CD2-CD2 3.46Å; Y151-F176 HydrophobicContact CD2-CD2 3.46Å; Y151-F176 VanDerWaalsContact CD2-CD2 3.46Å; Y151-F176 AromaticContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CE2 3.9Å; Y151-F176 HydrophobicContact CD2-CG 4.21Å; Y151-F176 HydrophobicContact CE2-CD2 4.29Å; Y151-F176 HydrophobicContact CG-CB 4.02Å; Y151-F176 AromaticContact CG-CD2 3.48Å; Y151-F176 HydrophobicContact CG-CD2 3.48Å; Y151-F176 VanDerWaalsContact CG-CD2 3.48Å; Y151-F176 AromaticContact CG-CE2 3.99Å; Y151-F176 HydrophobicContact CG-CE2 3.99Å; Y151-F176 AromaticContact CG-CG 3.8Å; Y151-F176 HydrophobicContact CG-CG 3.8Å; M155-F176 HydrophobicContact CG-CD1 3.6Å; M155-F176 HydrophobicContact CG-CE1 3.87Å; M155-F176 HydrophobicContact SD-CD1 4.31Å; L172-F176 WeakPolarHBondContact O-CB 3.49Å; L172-F176 PolarHBondContact O-N 2.93Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.47Å; F176-F179 HydrophobicContact CD2-CB 4.2Å; F176-F179 AromaticContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CE1 4.48Å; F176-F179 HydrophobicContact CD2-CG 4.27Å; F176-F179 AromaticContact CE2-CD1 3.58Å; F176-F179 HydrophobicContact CE2-CD1 3.58Å; F176-F179 AromaticContact CE2-CE1 3.96Å; F176-F179 HydrophobicContact CE2-CE1 3.96Å; F176-F179 VanDerWaalsContact O-CB 3.31Å; F176-F179 WeakPolarHBondContact O-CB 3.35Å; F176-F179 PolarHBondContact O-N 3.12Å; F176-H180 AromaticContact CD1-NE2 4Å; F176-H180 AromaticContact CD2-CD2 3.66Å; F176-H180 AromaticContact CD2-NE2 3.59Å; F176-H180 AromaticContact CE1-NE2 3.63Å; F176-H180 AromaticContact CE2-CD2 3.71Å; F176-H180 AromaticContact CE2-CE1 3.89Å; F176-H180 AromaticContact CE2-NE2 3.17Å; F176-H180 WeakPolarHBondContact CE2-NE2 3.42Å; F176-H180 AromaticContact CG-NE2 3.99Å; F176-H180 AromaticContact CZ-CE1 3.94Å; F176-H180 AromaticContact CZ-NE2 3.2Å; F176-H180 WeakPolarHBondContact CZ-NE2 3.43Å; F176-H180 PolarHBondContact O-CD2 2.83Å; F176-H180 PolarHBondContact O-N 3.1Å; F176-L193 HydrophobicContact CB-CD2 3.88Å; F176-L193 HydrophobicContact CD1-CD2 3.63Å; F176-L193 HydrophobicContact CE1-CD2 4.48Å; F176-L193 HydrophobicContact CG-CD2 3.89Å |
| 177 | S | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.9 | -40.4 | 172.5 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | A173 L174 F179 H180 Y181 A190 | A173-S177 WeakPolarHBondContact O-CB 3.26Å; A173-S177 PolarHBondContact O-N 2.9Å; A173-S177 PolarHBondContact O-OG 2.88Å; L174-S177 PolarHBondContact O-OG 2.99Å; S177-F179 VanDerWaalsContact C-N 3.32Å; S177-F179 PolarHBondContact O-N 2.84Å; S177-H180 PolarHBondContact O-N 3.5Å; S177-Y181 PolarHBondContact O-N 2.89Å; S177-A190 WeakPolarHBondContact CB-O 3.43Å; S177-A190 VanDerWaalsContact O-CB 3.24Å; S177-A190 WeakPolarHBondContact O-CB 3.25Å |
| 178 | V | 98.4 | Very high | 97.8 | Very high | 18 Ų | 18 | 31.5 Ų | 31.5 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.7 | -40 | 171.6 | 173.4 | 0 | 0 | 0 | 0 | 111.7 | L174 N175 F176 Y181 E182 W230 | L174-V178 WeakPolarHBondContact O-CG2 3.33Å; L174-V178 PolarHBondContact O-N 3.37Å; N175-V178 PolarHBondContact O-N 3.33Å; F176-V178 VanDerWaalsContact C-N 3.34Å; F176-V178 PolarHBondContact O-N 3.47Å; V178-Y181 PolarHBondContact O-N 3.21Å; V178-E182 VanDerWaalsContact CG1-CD 3.48Å; V178-E182 HydrophobicContact CG1-CG 4.05Å; V178-E182 WeakPolarHBondContact CG1-OE2 3.39Å; V178-E182 WeakPolarHBondContact O-CB 3.33Å; V178-E182 PolarHBondContact O-N 3.05Å; V178-W230 HydrophobicContact CG2-CH2 3.97Å; V178-W230 HydrophobicContact CG2-CZ2 4.03Å |
| 179 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -49 | 172.2 | 166.4 | -95.9 | 0 | 0 | 0 | 112.1 | R129 I144 A147 R148 Y151 N175 F176 S177 Y181 I183 A184 | R129-F179 HydrophobicContact CB-CD2 4.42Å; R129-F179 HydrophobicContact CG-CB 4.46Å; R129-F179 HydrophobicContact CG-CD2 4.15Å; I144-F179 HydrophobicContact CG2-CE2 4.2Å; I144-F179 HydrophobicContact CG2-CZ 3.84Å; A147-F179 HydrophobicContact CB-CD2 3.96Å; A147-F179 HydrophobicContact CB-CE2 3.49Å; A147-F179 VanDerWaalsContact CB-CE2 3.49Å; A147-F179 HydrophobicContact CB-CZ 4.12Å; R148-F179 HydrophobicContact CB-CE1 3.91Å; R148-F179 HydrophobicContact CB-CZ 3.89Å; R148-F179 HydrophobicContact CG-CE1 4.33Å; Y151-F179 HydrophobicContact CD2-CB 4.21Å; Y151-F179 HydrophobicContact CD2-CD1 4.36Å; Y151-F179 HydrophobicContact CD2-CG 4.11Å; Y151-F179 HydrophobicContact CE2-CB 3.71Å; Y151-F179 HydrophobicContact CE2-CD2 4.17Å; Y151-F179 AromaticContact CE2-CG 3.91Å; Y151-F179 HydrophobicContact CE2-CG 3.91Å; N175-F179 PolarHBondContact O-N 3.49Å; F176-F179 HydrophobicContact CD2-CB 4.2Å; F176-F179 AromaticContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CD1 3.67Å; F176-F179 HydrophobicContact CD2-CE1 4.48Å; F176-F179 HydrophobicContact CD2-CG 4.27Å; F176-F179 AromaticContact CE2-CD1 3.58Å; F176-F179 HydrophobicContact CE2-CD1 3.58Å; F176-F179 AromaticContact CE2-CE1 3.96Å; F176-F179 HydrophobicContact CE2-CE1 3.96Å; F176-F179 VanDerWaalsContact O-CB 3.31Å; F176-F179 WeakPolarHBondContact O-CB 3.35Å; F176-F179 PolarHBondContact O-N 3.12Å; S177-F179 VanDerWaalsContact C-N 3.32Å; S177-F179 PolarHBondContact O-N 2.84Å; F179-Y181 VanDerWaalsContact C-N 3.26Å; F179-Y181 PolarHBondContact O-N 3.28Å; F179-I183 HydrophobicContact CD2-CB 3.83Å; F179-I183 HydrophobicContact CD2-CG1 4.42Å; F179-I183 HydrophobicContact CD2-CG2 3.91Å; F179-I183 HydrophobicContact CE2-CB 4.07Å; F179-I183 HydrophobicContact CE2-CG2 3.66Å; F179-I183 WeakPolarHBondContact O-CA 3.4Å; F179-I183 WeakPolarHBondContact O-CB 3.46Å; F179-I183 PolarHBondContact O-N 2.9Å; F179-A184 HydrophobicContact CD1-CB 4.42Å; F179-A184 HydrophobicContact CE1-CB 3.94Å; F179-A184 HydrophobicContact CZ-CB 4.2Å; F179-A184 PolarHBondContact O-N 3.33Å |
| 180 | H | 98.5 | Very high | 97.9 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 6% | 0.06 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -42.5 | 179.8 | -78.7 | -76.8 | 0 | 0 | 0 | 111.2 | F176 S177 A184 N185 S186 E189 A190 | F176-H180 AromaticContact CD1-NE2 4Å; F176-H180 AromaticContact CD2-CD2 3.66Å; F176-H180 AromaticContact CD2-NE2 3.59Å; F176-H180 AromaticContact CE1-NE2 3.63Å; F176-H180 AromaticContact CE2-CD2 3.71Å; F176-H180 AromaticContact CE2-CE1 3.89Å; F176-H180 AromaticContact CE2-NE2 3.17Å; F176-H180 WeakPolarHBondContact CE2-NE2 3.42Å; F176-H180 AromaticContact CG-NE2 3.99Å; F176-H180 AromaticContact CZ-CE1 3.94Å; F176-H180 AromaticContact CZ-NE2 3.2Å; F176-H180 WeakPolarHBondContact CZ-NE2 3.43Å; F176-H180 PolarHBondContact O-CD2 2.83Å; F176-H180 PolarHBondContact O-N 3.1Å; S177-H180 PolarHBondContact O-N 3.5Å; H180-A184 CarbonylContact O-C 3.43Å; H180-N185 PolarHBondContact O-N 3.24Å; H180-N185 VanDerWaalsContact O-N 3.15Å; H180-S186 PolarHBondContact O-N 3.33Å; H180-E189 HydrophobicContact CB-CB 4.37Å; H180-E189 IonicContact CE1-OE2 3.42Å; H180-E189 PolarHBondContact CE1-OE2 3.44Å; H180-E189 IonicContact ND1-OE2 3.09Å; H180-E189 PolarHBondContact ND1-OE2 2.98Å; H180-A190 HydrophobicContact CB-CB 3.73Å |
| 181 | Y | 98.2 | Very high | 97.8 | Very high | 56 Ų | 56 | 35.7 Ų | 35.7 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -71.5 | -60.4 | -179.3 | -167.3 | -90.9 | 0 | 0 | 0 | 112.3 | S177 V178 F179 P187 A190 W230 D233 | S177-Y181 PolarHBondContact O-N 2.89Å; V178-Y181 PolarHBondContact O-N 3.21Å; F179-Y181 VanDerWaalsContact C-N 3.26Å; F179-Y181 PolarHBondContact O-N 3.28Å; Y181-P187 HydrophobicContact CD2-CB 3.83Å; Y181-P187 HydrophobicContact CE2-CB 3.86Å; Y181-A190 HydrophobicContact CD2-CB 4.35Å; Y181-W230 AromaticContact CD1-CD1 3.85Å; Y181-W230 AromaticContact CD1-CE2 3.94Å; Y181-W230 HydrophobicContact CD1-CZ2 4.45Å; Y181-W230 AromaticContact CD1-NE1 3.44Å; Y181-W230 HydrophobicContact CD2-CB 4.03Å; Y181-W230 AromaticContact CD2-CD1 3.59Å; Y181-W230 AromaticContact CD2-CD2 3.72Å; Y181-W230 HydrophobicContact CD2-CD2 3.72Å; Y181-W230 AromaticContact CD2-CE2 3.88Å; Y181-W230 HydrophobicContact CD2-CE3 4.41Å; Y181-W230 AromaticContact CD2-CG 3.52Å; Y181-W230 HydrophobicContact CD2-CG 3.52Å; Y181-W230 AromaticContact CD2-NE1 3.79Å; Y181-W230 AromaticContact CE1-CD1 3.54Å; Y181-W230 HydrophobicContact CE1-CG 4.42Å; Y181-W230 AromaticContact CE1-NE1 3.52Å; Y181-W230 HydrophobicContact CE2-CB 3.64Å; Y181-W230 AromaticContact CE2-CD1 3.27Å; Y181-W230 HydrophobicContact CE2-CD2 4.12Å; Y181-W230 AromaticContact CE2-CG 3.41Å; Y181-W230 HydrophobicContact CE2-CG 3.41Å; Y181-W230 VanDerWaalsContact CE2-CG 3.41Å; Y181-W230 AromaticContact CE2-NE1 3.88Å; Y181-W230 AromaticContact CG-CD1 3.87Å; Y181-W230 AromaticContact CG-CD2 3.99Å; Y181-W230 HydrophobicContact CG-CD2 3.99Å; Y181-W230 AromaticContact CG-CE2 3.65Å; Y181-W230 HydrophobicContact CG-CG 4.11Å; Y181-W230 HydrophobicContact CG-CZ2 4.12Å; Y181-W230 AromaticContact CG-NE1 3.57Å; Y181-W230 AromaticContact CZ-CD1 3.25Å; Y181-W230 AromaticContact CZ-CG 3.89Å; Y181-W230 AromaticContact CZ-NE1 3.75Å; Y181-D233 PolarHBondContact OH-OD2 3.11Å; Y181-D233 VanDerWaalsContact OH-OD2 3.1Å |
| 182 | E | 96.2 | Very high | 97.8 | Very high | 104 Ų | 104 | 38.6 Ų | 38.6 | 49% | 0.486 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -80.6 | -30.1 | -168.7 | -63.1 | -178.3 | 169.8 | 0 | 0 | 113.8 | R129 V178 | R129-E182 IonicContact NH1-OE2 3.1Å; V178-E182 VanDerWaalsContact CG1-CD 3.48Å; V178-E182 HydrophobicContact CG1-CG 4.05Å; V178-E182 WeakPolarHBondContact CG1-OE2 3.39Å; V178-E182 WeakPolarHBondContact O-CB 3.33Å; V178-E182 PolarHBondContact O-N 3.05Å |
| 183 | I | 97.3 | Very high | 97.8 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.8 | -44.3 | -169.7 | -60.6 | -52.9 | 0 | 0 | 0 | 112.4 | R129 A132 E133 I144 F179 N185 | R129-I183 HydrophobicContact CG-CG1 3.68Å; A132-I183 HydrophobicContact CB-CG2 3.61Å; E133-I183 HydrophobicContact CB-CD1 4.25Å; I144-I183 HydrophobicContact CD1-CG2 4.15Å; I144-I183 HydrophobicContact CG1-CG2 3.74Å; F179-I183 HydrophobicContact CD2-CB 3.83Å; F179-I183 HydrophobicContact CD2-CG1 4.42Å; F179-I183 HydrophobicContact CD2-CG2 3.91Å; F179-I183 HydrophobicContact CE2-CB 4.07Å; F179-I183 HydrophobicContact CE2-CG2 3.66Å; F179-I183 WeakPolarHBondContact O-CA 3.4Å; F179-I183 WeakPolarHBondContact O-CB 3.46Å; F179-I183 PolarHBondContact O-N 2.9Å; I183-N185 VanDerWaalsContact C-N 3.31Å |
| 184 | A | 96.5 | Very high | 97.8 | Very high | 19 Ų | 19 | 39.8 Ų | 39.8 | 16% | 0.157 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -84.3 | -7.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F179 H180 S186 | F179-A184 HydrophobicContact CD1-CB 4.42Å; F179-A184 HydrophobicContact CE1-CB 3.94Å; F179-A184 HydrophobicContact CZ-CB 4.2Å; F179-A184 PolarHBondContact O-N 3.33Å; H180-A184 CarbonylContact O-C 3.43Å; A184-S186 PolarHBondContact O-N 3.12Å; A184-S186 PolarHBondContact O-OG 3.4Å |
| 185 | N | 95.4 | Very high | 97.8 | Very high | 141 Ų | 141 | 44.6 Ų | 44.6 | 75% | 0.754 | 23% | 0.229 | S | C | * | . | trans | 49.7 | 46.5 | -177 | -165.8 | 67.8 | 0 | 0 | 0 | 111.9 | H180 I183 | H180-N185 PolarHBondContact O-N 3.24Å; H180-N185 VanDerWaalsContact O-N 3.15Å; I183-N185 VanDerWaalsContact C-N 3.31Å | ||
| 186 | S | 97.2 | Very high | 97.8 | Very high | 25 Ų | 25 | 46 Ų | 46 | 18% | 0.175 | 24% | 0.238 | C | C | . | . | trans | -127.7 | 68.5 | -176.3 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | H180 A184 E188 E189 A190 | H180-S186 PolarHBondContact O-N 3.33Å; A184-S186 PolarHBondContact O-N 3.12Å; A184-S186 PolarHBondContact O-OG 3.4Å; S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact O-N 3.19Å; S186-E189 PolarHBondContact O-N 2.94Å; S186-A190 PolarHBondContact O-N 2.87Å; S186-A190 VanDerWaalsContact O-N 3.1Å | ||
| 187 | P | 97.1 | Very high | 97.7 | Very high | 23 Ų | 23 | 46.1 Ų | 46.1 | 15% | 0.149 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.3 | -32.2 | -172.5 | 25.3 | -33.3 | 0 | 0 | 0 | 113 | Y181 E189 A190 I191 | Y181-P187 HydrophobicContact CD2-CB 3.83Å; Y181-P187 HydrophobicContact CE2-CB 3.86Å; P187-E189 PolarHBondContact O-N 2.97Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.5Å; P187-I191 WeakPolarHBondContact O-CB 3.32Å; P187-I191 VanDerWaalsContact O-CG1 3.27Å; P187-I191 WeakPolarHBondContact O-CG1 3.24Å; P187-I191 PolarHBondContact O-N 3.39Å |
| 188 | E | 96.7 | Very high | 97.7 | Very high | 129 Ų | 129 | 48 Ų | 48 | 60% | 0.603 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -64.1 | -42.6 | 177 | -61.9 | 70.7 | -153.2 | 0 | 0 | 111.5 | S186 S192 | S186-E188 VanDerWaalsContact C-N 3.29Å; S186-E188 PolarHBondContact O-N 3.19Å; E188-S192 WeakPolarHBondContact O-CB 3.24Å; E188-S192 PolarHBondContact O-N 3.4Å |
| 189 | E | 97.7 | Very high | 97.7 | Very high | 103 Ų | 103 | 51.2 Ų | 51.2 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 175.7 | -67.8 | -176.9 | -166.6 | 0 | 0 | 111 | H180 S186 P187 S192 L193 | H180-E189 HydrophobicContact CB-CB 4.37Å; H180-E189 IonicContact CE1-OE2 3.42Å; H180-E189 PolarHBondContact CE1-OE2 3.44Å; H180-E189 IonicContact ND1-OE2 3.09Å; H180-E189 PolarHBondContact ND1-OE2 2.98Å; S186-E189 PolarHBondContact O-N 2.94Å; P187-E189 PolarHBondContact O-N 2.97Å; E189-S192 PolarHBondContact O-N 3.24Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.33Å; E189-L193 PolarHBondContact O-N 3.08Å |
| 190 | A | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.3 | -51 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | S177 H180 Y181 S186 P187 L193 A194 W230 | S177-A190 WeakPolarHBondContact CB-O 3.43Å; S177-A190 VanDerWaalsContact O-CB 3.24Å; S177-A190 WeakPolarHBondContact O-CB 3.25Å; H180-A190 HydrophobicContact CB-CB 3.73Å; Y181-A190 HydrophobicContact CD2-CB 4.35Å; S186-A190 PolarHBondContact O-N 2.87Å; S186-A190 VanDerWaalsContact O-N 3.1Å; P187-A190 WeakPolarHBondContact O-CB 3.4Å; P187-A190 PolarHBondContact O-N 3.5Å; A190-L193 PolarHBondContact O-N 3.38Å; A190-A194 WeakPolarHBondContact O-CB 3.19Å; A190-A194 PolarHBondContact O-N 3.49Å; A190-W230 HydrophobicContact CB-CE3 4.27Å; A190-W230 HydrophobicContact CB-CZ3 4.12Å |
| 191 | I | 98.3 | Very high | 97.6 | Very high | 30 Ų | 30 | 53.9 Ų | 53.9 | 15% | 0.154 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 179.2 | -68.2 | 166.9 | 0 | 0 | 0 | 110.1 | P187 L193 A194 K195 L227 W230 | P187-I191 WeakPolarHBondContact O-CB 3.32Å; P187-I191 VanDerWaalsContact O-CG1 3.27Å; P187-I191 WeakPolarHBondContact O-CG1 3.24Å; P187-I191 PolarHBondContact O-N 3.39Å; I191-L193 PolarHBondContact O-N 3.46Å; I191-A194 PolarHBondContact O-N 3.21Å; I191-K195 WeakPolarHBondContact O-CB 3.46Å; I191-K195 PolarHBondContact O-N 2.94Å; I191-L227 HydrophobicContact CB-CD2 4.45Å; I191-L227 HydrophobicContact CG2-CD2 3.94Å; I191-L227 WeakPolarHBondContact O-CD2 3.4Å; I191-W230 HydrophobicContact CD1-CB 4.06Å; I191-W230 HydrophobicContact CG1-CB 3.9Å; I191-W230 HydrophobicContact CG1-CE3 4.44Å |
| 192 | S | 98.1 | Very high | 97.5 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 50% | 0.497 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 178.3 | -179.7 | 0 | 0 | 0 | 0 | 111.5 | E188 E189 K195 T196 | E188-S192 WeakPolarHBondContact O-CB 3.24Å; E188-S192 PolarHBondContact O-N 3.4Å; E189-S192 PolarHBondContact O-N 3.24Å; S192-K195 PolarHBondContact O-N 2.66Å; S192-T196 WeakPolarHBondContact O-CB 3.47Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 PolarHBondContact O-OG1 3.07Å; S192-T196 VanDerWaalsContact O-OG1 3.12Å |
| 193 | L | 98.4 | Very high | 97.5 | Very high | 26 Ų | 26 | 53.3 Ų | 53.3 | 14% | 0.136 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -47.1 | 179.6 | 177.2 | 60.6 | 0 | 0 | 0 | 112 | M155 F176 E189 A190 I191 T197 | M155-L193 HydrophobicContact CE-CD1 3.87Å; F176-L193 HydrophobicContact CB-CD2 3.88Å; F176-L193 HydrophobicContact CD1-CD2 3.63Å; F176-L193 HydrophobicContact CE1-CD2 4.48Å; F176-L193 HydrophobicContact CG-CD2 3.89Å; E189-L193 VanDerWaalsContact O-CB 3.29Å; E189-L193 WeakPolarHBondContact O-CB 3.33Å; E189-L193 PolarHBondContact O-N 3.08Å; A190-L193 PolarHBondContact O-N 3.38Å; I191-L193 PolarHBondContact O-N 3.46Å; L193-T197 WeakPolarHBondContact O-CB 3.29Å; L193-T197 PolarHBondContact O-N 2.87Å; L193-T197 PolarHBondContact O-OG1 3.4Å |
| 194 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.9 | -42.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A190 I191 F198 L223 L227 W230 | A190-A194 WeakPolarHBondContact O-CB 3.19Å; A190-A194 PolarHBondContact O-N 3.49Å; I191-A194 PolarHBondContact O-N 3.21Å; A194-F198 WeakPolarHBondContact O-CB 3.33Å; A194-F198 PolarHBondContact O-N 2.94Å; A194-L223 HydrophobicContact CB-CD2 3.95Å; A194-L227 HydrophobicContact CB-CD1 4.33Å; A194-L227 HydrophobicContact CB-CD2 3.73Å; A194-L227 HydrophobicContact CB-CG 3.85Å; A194-W230 HydrophobicContact CB-CZ3 4.36Å |
| 195 | K | 98.1 | Very high | 97.2 | Very high | 118 Ų | 118 | 55.9 Ų | 55.9 | 51% | 0.513 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.8 | -52 | 179.4 | -175.8 | 178.3 | 179.4 | -176.2 | 0 | 111.7 | I191 S192 T197 F198 D199 L227 | I191-K195 WeakPolarHBondContact O-CB 3.46Å; I191-K195 PolarHBondContact O-N 2.94Å; S192-K195 PolarHBondContact O-N 2.66Å; K195-T197 VanDerWaalsContact C-N 3.27Å; K195-T197 PolarHBondContact O-N 3.4Å; K195-F198 PolarHBondContact O-N 3.45Å; K195-D199 WeakPolarHBondContact O-CB 3.3Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.31Å; K195-L227 HydrophobicContact CB-CD1 4.27Å; K195-L227 HydrophobicContact CB-CD2 3.96Å |
| 196 | T | 98.3 | Very high | 97 | Very high | 60 Ų | 60 | 56.6 Ų | 56.6 | 37% | 0.368 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.6 | -43.8 | 178.4 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | S192 D199 E200 | S192-T196 WeakPolarHBondContact O-CB 3.47Å; S192-T196 PolarHBondContact O-N 3.04Å; S192-T196 PolarHBondContact O-OG1 3.07Å; S192-T196 VanDerWaalsContact O-OG1 3.12Å; T196-D199 PolarHBondContact O-N 3.11Å; T196-E200 HydrophobicContact CG2-CG 4.32Å; T196-E200 WeakPolarHBondContact CG2-OE1 3.39Å; T196-E200 WeakPolarHBondContact O-CB 3.35Å; T196-E200 VanDerWaalsContact O-CG 3.25Å; T196-E200 WeakPolarHBondContact O-CG 3.33Å; T196-E200 PolarHBondContact O-N 3.21Å |
| 197 | T | 98.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -45.1 | 178.2 | -56.8 | 0 | 0 | 0 | 0 | 111.9 | L170 A173 L193 K195 A201 L223 | L170-T197 HydrophobicContact CD2-CG2 3.7Å; A173-T197 HydrophobicContact CB-CG2 3.58Å; A173-T197 WeakPolarHBondContact CB-OG1 3.31Å; L193-T197 WeakPolarHBondContact O-CB 3.29Å; L193-T197 PolarHBondContact O-N 2.87Å; L193-T197 PolarHBondContact O-OG1 3.4Å; K195-T197 VanDerWaalsContact C-N 3.27Å; K195-T197 PolarHBondContact O-N 3.4Å; T197-A201 WeakPolarHBondContact O-CB 3.26Å; T197-A201 PolarHBondContact O-N 3.06Å; T197-L223 HydrophobicContact CG2-CD1 3.96Å |
| 198 | F | 98 | Very high | 96.3 | Very high | 40 Ų | 40 | 59.4 Ų | 59.4 | 18% | 0.175 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 178.7 | -177.7 | -92 | 0 | 0 | 0 | 111.3 | A194 K195 A201 M202 M220 R224 L227 | A194-F198 WeakPolarHBondContact O-CB 3.33Å; A194-F198 PolarHBondContact O-N 2.94Å; K195-F198 PolarHBondContact O-N 3.45Å; F198-A201 PolarHBondContact O-N 3.01Å; F198-M202 HydrophobicContact CD1-CG 3.84Å; F198-M202 HydrophobicContact CE1-CG 3.44Å; F198-M202 VanDerWaalsContact CE1-CG 3.44Å; F198-M202 HydrophobicContact CE1-SD 4.28Å; F198-M202 HydrophobicContact CE2-CG 4.23Å; F198-M202 HydrophobicContact CE2-SD 4.44Å; F198-M202 HydrophobicContact CG-CG 4.39Å; F198-M202 HydrophobicContact CZ-CG 3.65Å; F198-M202 HydrophobicContact CZ-SD 3.91Å; F198-M202 VanDerWaalsContact O-CB 3.3Å; F198-M202 WeakPolarHBondContact O-CB 3.03Å; F198-M202 VanDerWaalsContact O-CG 3.27Å; F198-M202 WeakPolarHBondContact O-CG 3.31Å; F198-M202 PolarHBondContact O-N 3.31Å; F198-M220 HydrophobicContact CD2-CB 4.19Å; F198-M220 WeakPolarHBondContact CD2-O 3.3Å; F198-M220 HydrophobicContact CE2-CB 4.13Å; F198-M220 HydrophobicContact CE2-CE 4.48Å; F198-M220 WeakPolarHBondContact CE2-O 3.47Å; F198-R224 HydrophobicContact CD2-CB 4.33Å; F198-R224 HydrophobicContact CE2-CB 3.93Å; F198-R224 HydrophobicContact CZ-CB 4.43Å; F198-L227 HydrophobicContact CB-CD1 4.43Å |
| 199 | D | 98.1 | Very high | 95.9 | Very high | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | -179.3 | -68.9 | -18.9 | 0 | 0 | 0 | 111.8 | K195 T196 M202 A203 | K195-D199 WeakPolarHBondContact O-CB 3.3Å; K195-D199 VanDerWaalsContact O-CG 3.31Å; K195-D199 PolarHBondContact O-N 3.31Å; T196-D199 PolarHBondContact O-N 3.11Å; D199-M202 PolarHBondContact O-N 3.2Å; D199-A203 PolarHBondContact O-N 3.41Å |
| 200 | E | 97.5 | Very high | 95.5 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 32% | 0.322 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.4 | -46.4 | 175.2 | -74.2 | 176.2 | 179.8 | 0 | 0 | 111.6 | P164 R169 T196 A203 D204 | P164-E200 HydrophobicContact CB-CB 3.98Å; P164-E200 HydrophobicContact CG-CB 4.43Å; R169-E200 IonicContact CZ-OE2 3.81Å; R169-E200 IonicContact NH2-OE2 2.76Å; R169-E200 PolarHBondContact NH2-OE2 3.4Å; T196-E200 HydrophobicContact CG2-CG 4.32Å; T196-E200 WeakPolarHBondContact CG2-OE1 3.39Å; T196-E200 WeakPolarHBondContact O-CB 3.35Å; T196-E200 VanDerWaalsContact O-CG 3.25Å; T196-E200 WeakPolarHBondContact O-CG 3.33Å; T196-E200 PolarHBondContact O-N 3.21Å; E200-A203 PolarHBondContact O-N 2.69Å; E200-D204 PolarHBondContact O-N 3.47Å |
| 201 | A | 97 | Very high | 95 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.2 | -34.9 | 180 | 0 | 0 | 0 | 0 | 0 | 112.7 | T165 L170 T197 F198 D204 L205 M220 | T165-A201 HydrophobicContact CG2-CB 4.5Å; T165-A201 WeakPolarHBondContact CG2-O 3.45Å; L170-A201 HydrophobicContact CD2-CB 3.71Å; T197-A201 WeakPolarHBondContact O-CB 3.26Å; T197-A201 PolarHBondContact O-N 3.06Å; F198-A201 PolarHBondContact O-N 3.01Å; A201-D204 CarbonylContact O-C 3.58Å; A201-D204 PolarHBondContact O-N 2.99Å; A201-L205 WeakPolarHBondContact O-CA 3.18Å; A201-L205 WeakPolarHBondContact O-CB 3.43Å; A201-L205 PolarHBondContact O-N 3.24Å; A201-M220 HydrophobicContact CB-CE 3.81Å; A201-M220 HydrophobicContact CB-CG 4.28Å; A201-M220 HydrophobicContact CB-SD 3.92Å |
| 202 | M | 96.1 | Very high | 94.7 | Very high | 83 Ų | 83 | 67.2 Ų | 67.2 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.1 | -82.1 | -57.9 | -47.1 | 0 | 0 | 112.1 | F198 D199 D204 L205 M220 | F198-M202 HydrophobicContact CD1-CG 3.84Å; F198-M202 HydrophobicContact CE1-CG 3.44Å; F198-M202 VanDerWaalsContact CE1-CG 3.44Å; F198-M202 HydrophobicContact CE1-SD 4.28Å; F198-M202 HydrophobicContact CE2-CG 4.23Å; F198-M202 HydrophobicContact CE2-SD 4.44Å; F198-M202 HydrophobicContact CG-CG 4.39Å; F198-M202 HydrophobicContact CZ-CG 3.65Å; F198-M202 HydrophobicContact CZ-SD 3.91Å; F198-M202 VanDerWaalsContact O-CB 3.3Å; F198-M202 WeakPolarHBondContact O-CB 3.03Å; F198-M202 VanDerWaalsContact O-CG 3.27Å; F198-M202 WeakPolarHBondContact O-CG 3.31Å; F198-M202 PolarHBondContact O-N 3.31Å; D199-M202 PolarHBondContact O-N 3.2Å; M202-D204 VanDerWaalsContact C-N 3.32Å; M202-D204 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact CE-CD2 4.14Å; M202-L205 WeakPolarHBondContact O-CB 3.33Å; M202-L205 PolarHBondContact O-N 3.42Å; M202-L205 HydrophobicContact SD-CD2 4.21Å; M202-M220 HydrophobicContact CB-CE 4.32Å; M202-M220 HydrophobicContact CG-CE 3.59Å; M202-M220 HydrophobicContact SD-CE 3.32Å; M202-M220 WeakPolarHBondContact SD-CE 3.42Å |
| 203 | A | 96.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 69.7 Ų | 69.7 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D199 E200 H206 | D199-A203 PolarHBondContact O-N 3.41Å; E200-A203 PolarHBondContact O-N 2.69Å; A203-H206 PolarHBondContact O-CE1 2.83Å; A203-H206 PolarHBondContact O-ND1 3.1Å; A203-H206 VanDerWaalsContact O-ND1 3.12Å |
| 204 | D | 95.3 | Very high | 94.2 | Very high | 59 Ų | 59 | 76 Ų | 76 | 32% | 0.316 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -94.5 | 3.8 | -177 | -78.6 | 3.5 | 0 | 0 | 0 | 114 | P164 T165 E200 A201 M202 H206 T207 | P164-D204 WeakPolarHBondContact CD-OD2 3.27Å; P164-D204 WeakPolarHBondContact CG-OD2 3.46Å; T165-D204 HydrophobicContact CG2-CB 3.8Å; T165-D204 WeakPolarHBondContact CG2-O 3.31Å; E200-D204 PolarHBondContact O-N 3.47Å; A201-D204 CarbonylContact O-C 3.58Å; A201-D204 PolarHBondContact O-N 2.99Å; M202-D204 VanDerWaalsContact C-N 3.32Å; M202-D204 PolarHBondContact O-N 2.92Å; D204-H206 PolarHBondContact O-N 3.09Å; D204-T207 WeakPolarHBondContact O-CB 3.4Å; D204-T207 PolarHBondContact O-N 3.43Å; D204-T207 PolarHBondContact O-OG1 2.93Å |
| 205 | L | 92.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 80.2 Ų | 80.2 | 20% | 0.199 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -56.6 | -31.2 | -173 | -172.2 | 63.8 | 0 | 0 | 0 | 113.4 | A201 M202 T207 L208 T217 M220 | A201-L205 WeakPolarHBondContact O-CA 3.18Å; A201-L205 WeakPolarHBondContact O-CB 3.43Å; A201-L205 PolarHBondContact O-N 3.24Å; M202-L205 HydrophobicContact CE-CD2 4.14Å; M202-L205 WeakPolarHBondContact O-CB 3.33Å; M202-L205 PolarHBondContact O-N 3.42Å; M202-L205 HydrophobicContact SD-CD2 4.21Å; L205-T207 PolarHBondContact O-N 3.15Å; L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 VanDerWaalsContact O-CB 3.25Å; L205-L208 WeakPolarHBondContact O-CB 3.43Å; L205-L208 PolarHBondContact O-N 3.25Å; L205-T217 HydrophobicContact CD1-CG2 4.14Å; L205-M220 HydrophobicContact CD1-CE 4.32Å; L205-M220 HydrophobicContact CD1-SD 4Å |
| 206 | H | 91.2 | Very high | 94 | Very high | 156 Ų | 156 | 74.6 Ų | 74.6 | 72% | 0.722 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -66.5 | -16.2 | 177.9 | 68.9 | -80.6 | 0 | 0 | 0 | 114.1 | A203 D204 | A203-H206 PolarHBondContact O-CE1 2.83Å; A203-H206 PolarHBondContact O-ND1 3.1Å; A203-H206 VanDerWaalsContact O-ND1 3.12Å; D204-H206 PolarHBondContact O-N 3.09Å |
| 207 | T | 89 | Confident | 93.9 | Very high | 82 Ų | 82 | 73.7 Ų | 73.7 | 50% | 0.503 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -87.5 | -8.6 | 179 | 68.9 | 0 | 0 | 0 | 0 | 113.2 | D204 L205 | D204-T207 WeakPolarHBondContact O-CB 3.4Å; D204-T207 PolarHBondContact O-N 3.43Å; D204-T207 PolarHBondContact O-OG1 2.93Å; L205-T207 PolarHBondContact O-N 3.15Å |
| 208 | L | 90 | Very high | 93.9 | Very high | 26 Ų | 26 | 78.1 Ų | 78.1 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | trans | -72.5 | 133.9 | -169.6 | -167.2 | 55.4 | 0 | 0 | 0 | 111.7 | L205 Y213 | L205-L208 HydrophobicContact CD1-CD2 3.94Å; L205-L208 VanDerWaalsContact O-CB 3.25Å; L205-L208 WeakPolarHBondContact O-CB 3.43Å; L205-L208 PolarHBondContact O-N 3.25Å; L208-Y213 HydrophobicContact CB-CD2 4.47Å; L208-Y213 HydrophobicContact CD2-CD2 3.95Å; L208-Y213 HydrophobicContact CD2-CG 4.45Å; L208-Y213 HydrophobicContact CG-CD2 4.35Å | ||
| 209 | S | 89.2 | Confident | 93.9 | Very high | 60 Ų | 60 | 77.5 Ų | 77.5 | 42% | 0.42 | 40% | 0.404 | S | S | . | . | trans | -72.3 | 156.6 | 174.8 | 65.6 | 0 | 0 | 0 | 0 | 111.7 | D211 S212 Y213 | S209-D211 PolarHBondContact O-N 3.46Å; S209-S212 PolarHBondContact O-N 2.86Å; S209-S212 PolarHBondContact OG-N 2.93Å; S209-Y213 WeakPolarHBondContact O-CB 3.34Å; S209-Y213 PolarHBondContact O-N 2.91Å | ||
| 210 | E | 88.4 | Confident | 93.9 | Very high | 181 Ų | 181 | 73.8 Ų | 73.8 | 85% | 0.846 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -56.8 | -39.5 | 176.3 | -168.8 | 172.6 | 179.6 | 0 | 0 | 111.8 | S212 Y213 | E210-S212 PolarHBondContact O-N 2.85Å; E210-Y213 PolarHBondContact O-N 3.47Å |
| 211 | D | 88.8 | Confident | 93.9 | Very high | 149 Ų | 149 | 73.5 Ų | 73.5 | 80% | 0.797 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.1 | -35.2 | -179.3 | -64.4 | -28.3 | 0 | 0 | 0 | 113.4 | S209 | S209-D211 PolarHBondContact O-N 3.46Å |
| 212 | S | 91.1 | Very high | 94 | Very high | 35 Ų | 35 | 77.1 Ų | 77.1 | 25% | 0.245 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -95.9 | -11.7 | 179.9 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | S209 E210 K214 D215 S216 | S209-S212 PolarHBondContact O-N 2.86Å; S209-S212 PolarHBondContact OG-N 2.93Å; E210-S212 PolarHBondContact O-N 2.85Å; S212-K214 VanDerWaalsContact C-N 3.35Å; S212-K214 PolarHBondContact O-N 2.88Å; S212-D215 PolarHBondContact O-N 2.71Å; S212-S216 PolarHBondContact O-N 2.8Å; S212-S216 PolarHBondContact O-OG 3.44Å |
| 213 | Y | 92.1 | Very high | 94.1 | Very high | 123 Ų | 123 | 73.2 Ų | 73.2 | 48% | 0.482 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -55 | -49 | -172 | -170.2 | -92 | 0 | 0 | 0 | 112.7 | L208 S209 E210 T217 | L208-Y213 HydrophobicContact CB-CD2 4.47Å; L208-Y213 HydrophobicContact CD2-CD2 3.95Å; L208-Y213 HydrophobicContact CD2-CG 4.45Å; L208-Y213 HydrophobicContact CG-CD2 4.35Å; S209-Y213 WeakPolarHBondContact O-CB 3.34Å; S209-Y213 PolarHBondContact O-N 2.91Å; E210-Y213 PolarHBondContact O-N 3.47Å; Y213-T217 HydrophobicContact CD1-CG2 4.22Å; Y213-T217 HydrophobicContact CE1-CG2 3.92Å; Y213-T217 HydrophobicContact CE2-CG2 4.22Å; Y213-T217 WeakPolarHBondContact O-CB 3.46Å; Y213-T217 VanDerWaalsContact O-CG2 3.25Å; Y213-T217 WeakPolarHBondContact O-CG2 3.39Å; Y213-T217 PolarHBondContact O-N 3.04Å; Y213-T217 PolarHBondContact O-OG1 3.47Å |
| 214 | K | 94.5 | Very high | 94.1 | Very high | 160 Ų | 160 | 75.7 Ų | 75.7 | 70% | 0.696 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.3 | -45.8 | -176.9 | -175.1 | -176.4 | 175.6 | -171.8 | 0 | 112.3 | S212 T217 L218 | S212-K214 VanDerWaalsContact C-N 3.35Å; S212-K214 PolarHBondContact O-N 2.88Å; K214-T217 PolarHBondContact O-OG1 3.12Å; K214-L218 WeakPolarHBondContact O-CB 3.44Å; K214-L218 PolarHBondContact O-N 3.48Å; K214-L218 VanDerWaalsContact O-N 3.11Å |
| 215 | D | 94.9 | Very high | 94.3 | Very high | 87 Ų | 87 | 76.2 Ų | 76.2 | 47% | 0.465 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -71.3 | -45.6 | -175.2 | -70 | -14.5 | 0 | 0 | 0 | 111.1 | P167 S212 L218 I219 | P167-D215 HydrophobicContact CB-CB 4.05Å; S212-D215 PolarHBondContact O-N 2.71Å; D215-L218 PolarHBondContact O-N 3.48Å; D215-I219 WeakPolarHBondContact O-CD1 3.32Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.33Å; D215-I219 PolarHBondContact O-N 2.82Å |
| 216 | S | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 179.1 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | T165 S212 L218 I219 M220 | T165-S216 WeakPolarHBondContact O-CB 3.32Å; T165-S216 PolarHBondContact O-OG 2.96Å; S212-S216 PolarHBondContact O-N 2.8Å; S212-S216 PolarHBondContact O-OG 3.44Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.16Å; S216-I219 PolarHBondContact O-N 3.38Å; S216-M220 WeakPolarHBondContact O-CB 3.27Å; S216-M220 VanDerWaalsContact O-CG 3.23Å; S216-M220 WeakPolarHBondContact O-CG 3.3Å; S216-M220 PolarHBondContact O-N 2.76Å |
| 217 | T | 96.6 | Very high | 94.8 | Very high | 42 Ų | 42 | 69.8 Ų | 69.8 | 26% | 0.258 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 178.5 | 53.2 | 0 | 0 | 0 | 0 | 112.5 | L205 Y213 K214 M220 Q221 | L205-T217 HydrophobicContact CD1-CG2 4.14Å; Y213-T217 HydrophobicContact CD1-CG2 4.22Å; Y213-T217 HydrophobicContact CE1-CG2 3.92Å; Y213-T217 HydrophobicContact CE2-CG2 4.22Å; Y213-T217 WeakPolarHBondContact O-CB 3.46Å; Y213-T217 VanDerWaalsContact O-CG2 3.25Å; Y213-T217 WeakPolarHBondContact O-CG2 3.39Å; Y213-T217 PolarHBondContact O-N 3.04Å; Y213-T217 PolarHBondContact O-OG1 3.47Å; K214-T217 PolarHBondContact O-OG1 3.12Å; T217-M220 PolarHBondContact O-N 2.86Å; T217-Q221 WeakPolarHBondContact O-CB 3.46Å; T217-Q221 PolarHBondContact O-N 2.84Å |
| 218 | L | 97.6 | Very high | 95.1 | Very high | 101 Ų | 101 | 70.4 Ų | 70.4 | 53% | 0.529 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 172.3 | 178.5 | 62.4 | 0 | 0 | 0 | 111.5 | K214 D215 S216 Q221 L222 | K214-L218 WeakPolarHBondContact O-CB 3.44Å; K214-L218 PolarHBondContact O-N 3.48Å; K214-L218 VanDerWaalsContact O-N 3.11Å; D215-L218 PolarHBondContact O-N 3.48Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.16Å; L218-Q221 WeakPolarHBondContact O-CB 3.39Å; L218-Q221 PolarHBondContact O-N 2.89Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.99Å; L218-L222 VanDerWaalsContact O-N 3.14Å |
| 219 | I | 98.1 | Very high | 95.4 | Very high | 27 Ų | 27 | 73.7 Ų | 73.7 | 14% | 0.138 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -69.2 | -40.4 | 179.1 | -62.3 | 163.9 | 0 | 0 | 0 | 111.2 | P167 L170 L174 D215 S216 Q221 L222 L223 | P167-I219 HydrophobicContact CB-CD1 4.09Å; P167-I219 VanDerWaalsContact O-CD1 3.26Å; P167-I219 WeakPolarHBondContact O-CD1 3.49Å; L170-I219 HydrophobicContact CB-CB 4.17Å; L170-I219 HydrophobicContact CB-CD1 4.38Å; L170-I219 HydrophobicContact CB-CG2 3.63Å; L174-I219 HydrophobicContact CB-CG2 4.22Å; L174-I219 HydrophobicContact CD2-CG2 4.1Å; D215-I219 WeakPolarHBondContact O-CD1 3.32Å; D215-I219 VanDerWaalsContact O-CG1 3.26Å; D215-I219 WeakPolarHBondContact O-CG1 3.33Å; D215-I219 PolarHBondContact O-N 2.82Å; S216-I219 PolarHBondContact O-N 3.38Å; I219-Q221 VanDerWaalsContact C-N 3.27Å; I219-Q221 PolarHBondContact O-N 3.26Å; I219-L222 WeakPolarHBondContact O-CB 3.25Å; I219-L222 PolarHBondContact O-N 3.01Å; I219-L222 VanDerWaalsContact O-N 3.16Å; I219-L223 PolarHBondContact O-N 3.19Å |
| 220 | M | 98 | Very high | 95.8 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 3% | 0.03 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -37.7 | 174.7 | -70.4 | 170.4 | 71.7 | 0 | 0 | 111.7 | L170 F198 A201 M202 L205 S216 T217 L223 R224 | L170-M220 HydrophobicContact CD1-CG 3.98Å; L170-M220 HydrophobicContact CD1-SD 4.39Å; L170-M220 HydrophobicContact CD2-CG 4.18Å; F198-M220 HydrophobicContact CD2-CB 4.19Å; F198-M220 WeakPolarHBondContact CD2-O 3.3Å; F198-M220 HydrophobicContact CE2-CB 4.13Å; F198-M220 HydrophobicContact CE2-CE 4.48Å; F198-M220 WeakPolarHBondContact CE2-O 3.47Å; A201-M220 HydrophobicContact CB-CE 3.81Å; A201-M220 HydrophobicContact CB-CG 4.28Å; A201-M220 HydrophobicContact CB-SD 3.92Å; M202-M220 HydrophobicContact CB-CE 4.32Å; M202-M220 HydrophobicContact CG-CE 3.59Å; M202-M220 HydrophobicContact SD-CE 3.32Å; M202-M220 WeakPolarHBondContact SD-CE 3.42Å; L205-M220 HydrophobicContact CD1-CE 4.32Å; L205-M220 HydrophobicContact CD1-SD 4Å; S216-M220 WeakPolarHBondContact O-CB 3.27Å; S216-M220 VanDerWaalsContact O-CG 3.23Å; S216-M220 WeakPolarHBondContact O-CG 3.3Å; S216-M220 PolarHBondContact O-N 2.76Å; T217-M220 PolarHBondContact O-N 2.86Å; M220-L223 PolarHBondContact O-N 2.95Å; M220-R224 PolarHBondContact O-N 3.26Å |
| 221 | Q | 98.1 | Very high | 96 | Very high | 63 Ų | 63 | 66.1 Ų | 66.1 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.8 | -46 | 173.3 | 177.5 | 54.9 | 40.4 | 0 | 0 | 111.4 | T217 L218 I219 L223 R224 D225 | T217-Q221 WeakPolarHBondContact O-CB 3.46Å; T217-Q221 PolarHBondContact O-N 2.84Å; L218-Q221 WeakPolarHBondContact O-CB 3.39Å; L218-Q221 PolarHBondContact O-N 2.89Å; I219-Q221 VanDerWaalsContact C-N 3.27Å; I219-Q221 PolarHBondContact O-N 3.26Å; Q221-L223 PolarHBondContact O-N 3.33Å; Q221-R224 WeakPolarHBondContact O-CB 3.48Å; Q221-R224 PolarHBondContact O-N 2.94Å; Q221-D225 PolarHBondContact NE2-OD1 3.37Å; Q221-D225 PolarHBondContact NE2-OD2 3.3Å; Q221-D225 PolarHBondContact O-N 2.84Å |
| 222 | L | 98.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 62 Ų | 62 | 40% | 0.398 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.5 | -66 | 172 | 0 | 0 | 0 | 112.5 | L174 L218 I219 R224 D225 N226 | L174-L222 HydrophobicContact CD1-CB 4.11Å; L174-L222 HydrophobicContact CD2-CB 3.89Å; L174-L222 HydrophobicContact CD2-CD1 3.85Å; L218-L222 WeakPolarHBondContact O-CG 3.48Å; L218-L222 PolarHBondContact O-N 2.99Å; L218-L222 VanDerWaalsContact O-N 3.14Å; I219-L222 WeakPolarHBondContact O-CB 3.25Å; I219-L222 PolarHBondContact O-N 3.01Å; I219-L222 VanDerWaalsContact O-N 3.16Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 2.89Å; L222-D225 PolarHBondContact O-N 3.45Å; L222-N226 PolarHBondContact O-N 3.35Å |
| 223 | L | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59 | -45 | 173.9 | -78.2 | 168.7 | 0 | 0 | 0 | 111.5 | L170 L174 A194 T197 I219 M220 Q221 D225 N226 L227 | L170-L223 HydrophobicContact CD2-CD1 4.27Å; L174-L223 HydrophobicContact CB-CD2 3.95Å; L174-L223 HydrophobicContact CB-CG 4.24Å; L174-L223 HydrophobicContact CD1-CD2 3.95Å; L174-L223 HydrophobicContact CD1-CG 4.18Å; A194-L223 HydrophobicContact CB-CD2 3.95Å; T197-L223 HydrophobicContact CG2-CD1 3.96Å; I219-L223 PolarHBondContact O-N 3.19Å; M220-L223 PolarHBondContact O-N 2.95Å; Q221-L223 PolarHBondContact O-N 3.33Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 2.65Å; L223-N226 PolarHBondContact O-N 2.97Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.4Å |
| 224 | R | 97.8 | Very high | 95.4 | Very high | 118 Ų | 118 | 59.4 Ų | 59.4 | 45% | 0.445 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -40.6 | 177.4 | -172 | -172.2 | 74.1 | -174.4 | 5.1 | 112.3 | F198 M220 Q221 L222 L227 T228 | F198-R224 HydrophobicContact CD2-CB 4.33Å; F198-R224 HydrophobicContact CE2-CB 3.93Å; F198-R224 HydrophobicContact CZ-CB 4.43Å; M220-R224 PolarHBondContact O-N 3.26Å; Q221-R224 WeakPolarHBondContact O-CB 3.48Å; Q221-R224 PolarHBondContact O-N 2.94Å; L222-R224 VanDerWaalsContact C-N 3.33Å; L222-R224 PolarHBondContact O-N 2.89Å; R224-L227 PolarHBondContact O-N 3.47Å; R224-T228 PolarHBondContact O-N 2.83Å; R224-T228 PolarHBondContact O-OG1 2.95Å |
| 225 | D | 98.1 | Very high | 94.6 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 37% | 0.374 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | -179.3 | -65.1 | -13.3 | 0 | 0 | 0 | 110.5 | Q221 L222 L223 T228 L229 | Q221-D225 PolarHBondContact NE2-OD1 3.37Å; Q221-D225 PolarHBondContact NE2-OD2 3.3Å; Q221-D225 PolarHBondContact O-N 2.84Å; L222-D225 PolarHBondContact O-N 3.45Å; L223-D225 VanDerWaalsContact C-N 3.34Å; L223-D225 PolarHBondContact O-N 2.65Å; D225-T228 PolarHBondContact O-N 3.09Å; D225-L229 PolarHBondContact O-N 3.17Å |
| 226 | N | 97.2 | Very high | 93.2 | Very high | 35 Ų | 35 | 53.4 Ų | 53.4 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.5 | -45.4 | 171.8 | -76 | 1.1 | 0 | 0 | 0 | 112.4 | L174 L222 L223 T228 L229 W230 | L174-N226 WeakPolarHBondContact CD1-ND2 3.21Å; L222-N226 PolarHBondContact O-N 3.35Å; L223-N226 PolarHBondContact O-N 2.97Å; N226-T228 VanDerWaalsContact C-N 3.27Å; N226-T228 PolarHBondContact O-N 3.26Å; N226-L229 PolarHBondContact O-N 3.45Å; N226-W230 HydrophobicContact CB-CD2 4.14Å; N226-W230 HydrophobicContact CB-CE3 3.98Å; N226-W230 HydrophobicContact CB-CH2 3.67Å; N226-W230 HydrophobicContact CB-CZ2 3.82Å; N226-W230 HydrophobicContact CB-CZ3 3.74Å; N226-W230 WeakPolarHBondContact ND2-CH2 3.25Å; N226-W230 WeakPolarHBondContact O-CB 3.45Å; N226-W230 VanDerWaalsContact O-CD2 3.31Å; N226-W230 PolarHBondContact O-N 3.45Å |
| 227 | L | 97.2 | Very high | 91.4 | Very high | 24 Ų | 24 | 61.2 Ų | 61.2 | 13% | 0.126 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.1 | -41.4 | 176.6 | -78 | 168.7 | 0 | 0 | 0 | 112 | I191 A194 K195 F198 L223 R224 T231 | I191-L227 HydrophobicContact CB-CD2 4.45Å; I191-L227 HydrophobicContact CG2-CD2 3.94Å; I191-L227 WeakPolarHBondContact O-CD2 3.4Å; A194-L227 HydrophobicContact CB-CD1 4.33Å; A194-L227 HydrophobicContact CB-CD2 3.73Å; A194-L227 HydrophobicContact CB-CG 3.85Å; K195-L227 HydrophobicContact CB-CD1 4.27Å; K195-L227 HydrophobicContact CB-CD2 3.96Å; F198-L227 HydrophobicContact CB-CD1 4.43Å; L223-L227 WeakPolarHBondContact O-CG 3.45Å; L223-L227 PolarHBondContact O-N 3.4Å; R224-L227 PolarHBondContact O-N 3.47Å; L227-T231 WeakPolarHBondContact O-CB 3.5Å; L227-T231 PolarHBondContact O-N 3.49Å; L227-T231 PolarHBondContact O-OG1 3.24Å |
| 228 | T | 96.6 | Very high | 89.2 | Confident | 95 Ų | 95 | 67.5 Ų | 67.5 | 58% | 0.583 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.2 | -46.3 | 179 | -56.7 | 0 | 0 | 0 | 0 | 110.7 | R224 D225 N226 A232 | R224-T228 PolarHBondContact O-N 2.83Å; R224-T228 PolarHBondContact O-OG1 2.95Å; D225-T228 PolarHBondContact O-N 3.09Å; N226-T228 VanDerWaalsContact C-N 3.27Å; N226-T228 PolarHBondContact O-N 3.26Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.13Å |
| 229 | L | 96.1 | Very high | 86.6 | Confident | 96 Ų | 96 | 65.7 Ų | 65.7 | 50% | 0.503 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.6 | -56.4 | 178.6 | -178.5 | 66.2 | 0 | 0 | 0 | 111.2 | D225 N226 T231 A232 D233 | D225-L229 PolarHBondContact O-N 3.17Å; N226-L229 PolarHBondContact O-N 3.45Å; L229-T231 VanDerWaalsContact C-N 3.35Å; L229-T231 PolarHBondContact O-N 2.93Å; L229-A232 WeakPolarHBondContact O-CB 3.32Å; L229-A232 PolarHBondContact O-N 3Å; L229-A232 VanDerWaalsContact O-N 3.13Å; L229-D233 PolarHBondContact O-N 2.79Å; L229-D233 VanDerWaalsContact O-N 3.07Å |
| 230 | W | 96.9 | Very high | 83.8 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 2% | 0.023 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -68.9 | -31.1 | -173 | -57.7 | -27.5 | 0 | 0 | 0 | 113.5 | V178 Y181 A190 I191 A194 N226 A232 N234 | V178-W230 HydrophobicContact CG2-CH2 3.97Å; V178-W230 HydrophobicContact CG2-CZ2 4.03Å; Y181-W230 AromaticContact CD1-CD1 3.85Å; Y181-W230 AromaticContact CD1-CE2 3.94Å; Y181-W230 HydrophobicContact CD1-CZ2 4.45Å; Y181-W230 AromaticContact CD1-NE1 3.44Å; Y181-W230 HydrophobicContact CD2-CB 4.03Å; Y181-W230 AromaticContact CD2-CD1 3.59Å; Y181-W230 AromaticContact CD2-CD2 3.72Å; Y181-W230 HydrophobicContact CD2-CD2 3.72Å; Y181-W230 AromaticContact CD2-CE2 3.88Å; Y181-W230 HydrophobicContact CD2-CE3 4.41Å; Y181-W230 AromaticContact CD2-CG 3.52Å; Y181-W230 HydrophobicContact CD2-CG 3.52Å; Y181-W230 AromaticContact CD2-NE1 3.79Å; Y181-W230 AromaticContact CE1-CD1 3.54Å; Y181-W230 HydrophobicContact CE1-CG 4.42Å; Y181-W230 AromaticContact CE1-NE1 3.52Å; Y181-W230 HydrophobicContact CE2-CB 3.64Å; Y181-W230 AromaticContact CE2-CD1 3.27Å; Y181-W230 HydrophobicContact CE2-CD2 4.12Å; Y181-W230 AromaticContact CE2-CG 3.41Å; Y181-W230 HydrophobicContact CE2-CG 3.41Å; Y181-W230 VanDerWaalsContact CE2-CG 3.41Å; Y181-W230 AromaticContact CE2-NE1 3.88Å; Y181-W230 AromaticContact CG-CD1 3.87Å; Y181-W230 AromaticContact CG-CD2 3.99Å; Y181-W230 HydrophobicContact CG-CD2 3.99Å; Y181-W230 AromaticContact CG-CE2 3.65Å; Y181-W230 HydrophobicContact CG-CG 4.11Å; Y181-W230 HydrophobicContact CG-CZ2 4.12Å; Y181-W230 AromaticContact CG-NE1 3.57Å; Y181-W230 AromaticContact CZ-CD1 3.25Å; Y181-W230 AromaticContact CZ-CG 3.89Å; Y181-W230 AromaticContact CZ-NE1 3.75Å; A190-W230 HydrophobicContact CB-CE3 4.27Å; A190-W230 HydrophobicContact CB-CZ3 4.12Å; I191-W230 HydrophobicContact CD1-CB 4.06Å; I191-W230 HydrophobicContact CG1-CB 3.9Å; I191-W230 HydrophobicContact CG1-CE3 4.44Å; A194-W230 HydrophobicContact CB-CZ3 4.36Å; N226-W230 HydrophobicContact CB-CD2 4.14Å; N226-W230 HydrophobicContact CB-CE3 3.98Å; N226-W230 HydrophobicContact CB-CH2 3.67Å; N226-W230 HydrophobicContact CB-CZ2 3.82Å; N226-W230 HydrophobicContact CB-CZ3 3.74Å; N226-W230 WeakPolarHBondContact ND2-CH2 3.25Å; N226-W230 WeakPolarHBondContact O-CB 3.45Å; N226-W230 VanDerWaalsContact O-CD2 3.31Å; N226-W230 PolarHBondContact O-N 3.45Å; W230-A232 VanDerWaalsContact C-N 3.34Å; W230-N234 PolarHBondContact O-N 2.76Å; W230-N234 VanDerWaalsContact O-N 3.1Å; W230-N234 PolarHBondContact O-OD1 3.09Å |
| 231 | T | 93.4 | Very high | 81 | Confident | 75 Ų | 75 | 76.2 Ų | 76.2 | 46% | 0.46 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -70.1 | -34.2 | 174.7 | -53.3 | 0 | 0 | 0 | 0 | 111.4 | L227 L229 A235 | L227-T231 WeakPolarHBondContact O-CB 3.5Å; L227-T231 PolarHBondContact O-N 3.49Å; L227-T231 PolarHBondContact O-OG1 3.24Å; L229-T231 VanDerWaalsContact C-N 3.35Å; L229-T231 PolarHBondContact O-N 2.93Å; T231-A235 WeakPolarHBondContact O-CB 3.37Å; T231-A235 PolarHBondContact O-N 2.96Å; T231-A235 VanDerWaalsContact O-N 3.15Å |
| 232 | A | 92.1 | Very high | 78.3 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 51% | 0.512 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.3 | -41 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | T228 L229 W230 A235 G236 | T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.13Å; L229-A232 WeakPolarHBondContact O-CB 3.32Å; L229-A232 PolarHBondContact O-N 3Å; L229-A232 VanDerWaalsContact O-N 3.13Å; W230-A232 VanDerWaalsContact C-N 3.34Å; A232-A235 PolarHBondContact O-N 2.65Å; A232-G236 PolarHBondContact O-N 3.29Å |
| 233 | D | 86 | Confident | 75.7 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 177.6 | -65 | -23.5 | 0 | 0 | 0 | 111.1 | Y181 L229 A235 G236 E237 | Y181-D233 PolarHBondContact OH-OD2 3.11Å; Y181-D233 VanDerWaalsContact OH-OD2 3.1Å; L229-D233 PolarHBondContact O-N 2.79Å; L229-D233 VanDerWaalsContact O-N 3.07Å; D233-A235 PolarHBondContact O-N 3.37Å; D233-G236 PolarHBondContact O-N 3.48Å; D233-G236 VanDerWaalsContact O-N 3.16Å; D233-E237 PolarHBondContact O-N 2.94Å |
| 234 | N | 80.1 | Confident | 73 | Confident | 36 Ų | 36 | 88.5 Ų | 88.5 | 19% | 0.193 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -65 | -35.7 | 178.3 | -78.3 | 25.9 | 0 | 0 | 0 | 113.2 | W230 G236 E237 E238 | W230-N234 PolarHBondContact O-N 2.76Å; W230-N234 VanDerWaalsContact O-N 3.1Å; W230-N234 PolarHBondContact O-OD1 3.09Å; N234-G236 VanDerWaalsContact C-N 3.27Å; N234-G236 PolarHBondContact O-N 3.42Å; N234-E237 PolarHBondContact O-N 3.4Å; N234-E238 PolarHBondContact O-N 3.27Å |
| 235 | A | 77.8 | Confident | 70.4 | Confident | 64 Ų | 64 | 91.5 Ų | 91.5 | 53% | 0.529 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.6 | -27 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | T231 A232 D233 | T231-A235 WeakPolarHBondContact O-CB 3.37Å; T231-A235 PolarHBondContact O-N 2.96Å; T231-A235 VanDerWaalsContact O-N 3.15Å; A232-A235 PolarHBondContact O-N 2.65Å; D233-A235 PolarHBondContact O-N 3.37Å |
| 236 | G | 66.6 | Low | 68 | Low | 58 Ų | 58 | 94.1 Ų | 94.1 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -70.2 | -31 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A232 D233 N234 | A232-G236 PolarHBondContact O-N 3.29Å; D233-G236 PolarHBondContact O-N 3.48Å; D233-G236 VanDerWaalsContact O-N 3.16Å; N234-G236 VanDerWaalsContact C-N 3.27Å; N234-G236 PolarHBondContact O-N 3.42Å |
| 237 | E | 57.8 | Low | 65.7 | Low | 164 Ų | 164 | 101.7 Ų | 101.7 | 77% | 0.766 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -76.9 | -31.9 | 179.1 | -65.3 | -170.7 | 168.9 | 0 | 0 | 112.9 | D233 N234 G239 | D233-E237 PolarHBondContact O-N 2.94Å; N234-E237 PolarHBondContact O-N 3.4Å; E237-G239 VanDerWaalsContact C-N 3.29Å; E237-G239 PolarHBondContact O-N 3.05Å |
| 238 | E | 51.1 | Low | 63.7 | Low | 174 Ų | 174 | 109.5 Ų | 109.5 | 81% | 0.813 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -75.4 | -14.1 | 175.7 | -68.6 | -170.4 | 164.5 | 0 | 0 | 113.6 | N234 G240 | N234-E238 PolarHBondContact O-N 3.27Å; E238-G240 PolarHBondContact O-N 3.25Å; E238-G240 VanDerWaalsContact O-N 3.16Å |
| 239 | G | 43.5 | Very low | 62.1 | Low | 62 Ų | 62 | 110.3 Ų | 110.3 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 5.7 | -177 | 0 | 0 | 0 | 0 | 0 | 116.3 | E237 E241 | E237-G239 VanDerWaalsContact C-N 3.29Å; E237-G239 PolarHBondContact O-N 3.05Å; G239-E241 VanDerWaalsContact C-N 3.25Å; G239-E241 PolarHBondContact O-N 3.04Å; G239-E241 VanDerWaalsContact O-N 3.17Å |
| 240 | G | 37.7 | Very low | 60.3 | Low | 72 Ų | 72 | 111 Ų | 111 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | -81.7 | 36.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E238 A242 | E238-G240 PolarHBondContact O-N 3.25Å; E238-G240 VanDerWaalsContact O-N 3.16Å; G240-A242 PolarHBondContact O-N 2.9Å; G240-A242 VanDerWaalsContact O-N 3.08Å | ||
| 241 | E | 39.2 | Very low | 58.3 | Low | 183 Ų | 183 | 116.8 Ų | 116.8 | 86% | 0.855 | 71% | 0.708 | S | S | * | * | trans | -72.9 | 99.8 | 165.5 | -78.4 | -168.7 | 161.8 | 0 | 0 | 108.7 | G239 | G239-E241 VanDerWaalsContact C-N 3.25Å; G239-E241 PolarHBondContact O-N 3.04Å; G239-E241 VanDerWaalsContact O-N 3.17Å | ||
| 242 | A | 42.2 | Very low | 56.2 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | -52.1 | 131.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | G240 Q244 | G240-A242 PolarHBondContact O-N 2.9Å; G240-A242 VanDerWaalsContact O-N 3.08Å; A242-Q244 PolarHBondContact O-N 3.47Å; A242-Q244 VanDerWaalsContact O-N 3.15Å | ||
| 243 | P | 43.3 | Very low | 54 | Low | 122 Ų | 122 | 122.9 Ų | 122.9 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | trans | -57.1 | 123.7 | 179.3 | -20.7 | 30.6 | 0 | 0 | 0 | 109.9 | E245 | P243-E245 PolarHBondContact O-N 3.37Š| ||
| 244 | Q | 42.9 | Very low | 51.8 | Low | 189 Ų | 189 | 126.5 Ų | 126.5 | 88% | 0.883 | 76% | 0.76 | S | S | * | * | trans | -60.4 | 110.2 | 166.4 | -71.9 | -177.3 | 8.1 | 0 | 0 | 107.8 | A242 | A242-Q244 PolarHBondContact O-N 3.47Å; A242-Q244 VanDerWaalsContact O-N 3.15Å | ||
| 245 | E | 43.4 | Very low | 49.8 | Very low | 181 Ų | 181 | 133 Ų | 133 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 131.8 | 175.5 | -74.5 | -172.1 | 158.8 | 0 | 0 | 109.9 | P243 Q247 | P243-E245 PolarHBondContact O-N 3.37Å; E245-Q247 PolarHBondContact O-N 3.12Å |
| 246 | P | 47.2 | Very low | 47.7 | Very low | 124 Ų | 124 | 138.3 Ų | 138.3 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 126.7 | 177.3 | 25.4 | -30 | 0 | 0 | 0 | 110 | S248 | P246-S248 PolarHBondContact O-N 3.4Š|
| 247 | Q | 49 | Very low | 46.1 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130 | 172.4 | -70.3 | -179 | -5.8 | 0 | 0 | 110 | E245 | E245-Q247 PolarHBondContact O-N 3.12Š|
| 248 | S | 55.6 | Low | 45 | Very low | 189 Ų | 189 | 143.3 Ų | 143.3 | 100% | 1.322 | 85% | 0.847 | S | S | * | * | trans | -54.5 | 0 | -178.8 | 58 | 0 | 0 | 0 | 0 | 115.1 | P246 | P246-S248 PolarHBondContact O-N 3.4Š|
Retrieved 248 of 248 residues in 234.2 ms
(Link to these results)