| 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 | 55.6 | Low | 74 | Confident | 202 Ų | 202 | 109.5 Ų | 109.5 | 100% | 0.995 | 53% | 0.53 | S | S | * | . | 0 | -53.1 | 0 | -162.7 | 163.7 | 148.5 | 0 | 0 | 112.3 | K3 L4 E5 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.3Å; M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 2.93Å; M1-E5 PolarHBondContact O-N 3.23Å | |||
| 2 | V | 72 | Confident | 74.3 | Confident | 114 Ų | 114 | 101.2 Ų | 101.2 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -50.6 | -42.4 | -178.8 | -176.4 | 0 | 0 | 0 | 0 | 114.6 | L4 E5 R6 | V2-L4 PolarHBondContact O-N 2.89Å; V2-E5 PolarHBondContact O-N 3.04Å; V2-R6 WeakPolarHBondContact O-CB 3.28Å; V2-R6 PolarHBondContact O-N 3.48Å |
| 3 | K | 75.4 | Confident | 74.6 | Confident | 192 Ų | 192 | 102.5 Ų | 102.5 | 84% | 0.835 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -38.4 | 178.8 | -67.8 | -173.8 | 179.4 | -178.3 | 0 | 113.3 | M1 H7 | M1-K3 VanDerWaalsContact C-N 3.33Å; M1-K3 PolarHBondContact O-N 3.3Å; K3-H7 WeakPolarHBondContact O-CB 3.49Å; K3-H7 PolarHBondContact O-N 2.97Å |
| 4 | L | 73.7 | Confident | 75.2 | Confident | 144 Ų | 144 | 95.4 Ų | 95.4 | 75% | 0.754 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -70.1 | -41 | -179.1 | -162.5 | 99.4 | 0 | 0 | 0 | 110.6 | M1 V2 H7 A8 | M1-L4 WeakPolarHBondContact O-CB 3.42Å; M1-L4 PolarHBondContact O-N 2.93Å; V2-L4 PolarHBondContact O-N 2.89Å; L4-H7 PolarHBondContact O-N 3.49Å; L4-A8 WeakPolarHBondContact O-CB 3.43Å; L4-A8 PolarHBondContact O-N 2.9Å |
| 5 | E | 73.4 | Confident | 75.9 | Confident | 68 Ų | 68 | 89.3 Ų | 89.3 | 32% | 0.318 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 177.3 | -170.8 | -176.9 | 168.7 | 0 | 0 | 111.7 | M1 V2 A8 K9 Y225 | M1-E5 PolarHBondContact O-N 3.23Å; V2-E5 PolarHBondContact O-N 3.04Å; E5-A8 PolarHBondContact O-N 3.35Å; E5-K9 WeakPolarHBondContact O-CG 3.31Å; E5-K9 PolarHBondContact O-N 2.93Å; E5-K9 WeakPolarHBondContact OE1-CE 3.31Å; E5-K9 IonicContact OE1-NZ 3.46Å; E5-K9 PolarHBondContact OE1-NZ 3.05Å; E5-Y225 HydrophobicContact CG-CE2 4.25Å; E5-Y225 VanDerWaalsContact CG-OH 3.26Å; E5-Y225 WeakPolarHBondContact CG-OH 2.97Å; E5-Y225 PolarHBondContact OE1-OH 3.48Å; E5-Y225 VanDerWaalsContact OE1-OH 3.06Å |
| 6 | R | 75.8 | Confident | 76.6 | Confident | 159 Ų | 159 | 83.8 Ų | 83.8 | 60% | 0.6 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -60.6 | -46.4 | 174.9 | -174.9 | 174.9 | 179.5 | 163.2 | 4.8 | 111.7 | V2 A8 K9 E10 | V2-R6 WeakPolarHBondContact O-CB 3.28Å; V2-R6 PolarHBondContact O-N 3.48Å; R6-A8 VanDerWaalsContact C-N 3.28Å; R6-A8 PolarHBondContact O-N 2.9Å; R6-K9 PolarHBondContact O-N 3.44Å; R6-E10 HydrophobicContact CG-CG 4.49Å; R6-E10 VanDerWaalsContact CG-OE1 3.29Å; R6-E10 WeakPolarHBondContact CG-OE1 3.31Å; R6-E10 IonicContact CZ-OE1 2.84Å; R6-E10 IonicContact NE-OE1 3.39Å; R6-E10 PolarHBondContact NE-OE1 3.48Å; R6-E10 IonicContact NH2-OE1 3.21Å; R6-E10 WeakPolarHBondContact O-CG 3.48Å; R6-E10 PolarHBondContact O-N 3.31Å |
| 7 | H | 75.4 | Confident | 77.2 | Confident | 112 Ų | 112 | 78.9 Ų | 78.9 | 52% | 0.519 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 176.1 | -171.8 | -70.6 | 0 | 0 | 0 | 112 | K3 L4 N11 | K3-H7 WeakPolarHBondContact O-CB 3.49Å; K3-H7 PolarHBondContact O-N 2.97Å; L4-H7 PolarHBondContact O-N 3.49Å; H7-N11 PolarHBondContact CE1-ND2 3.18Å; H7-N11 PolarHBondContact ND1-ND2 3.43Å; H7-N11 PolarHBondContact NE2-ND2 3.28Å; H7-N11 WeakPolarHBondContact O-CB 3.42Å; H7-N11 PolarHBondContact O-N 3.47Å; H7-N11 PolarHBondContact O-ND2 3.41Å |
| 8 | A | 75.4 | Confident | 77.4 | Confident | 30 Ų | 30 | 75.6 Ų | 75.6 | 25% | 0.248 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L4 E5 R6 S12 Y225 | L4-A8 WeakPolarHBondContact O-CB 3.43Å; L4-A8 PolarHBondContact O-N 2.9Å; E5-A8 PolarHBondContact O-N 3.35Å; R6-A8 VanDerWaalsContact C-N 3.28Å; R6-A8 PolarHBondContact O-N 2.9Å; A8-S12 WeakPolarHBondContact O-CB 3.41Å; A8-S12 PolarHBondContact O-N 3.4Å; A8-S12 PolarHBondContact O-OG 2.78Å; A8-Y225 HydrophobicContact CB-CD2 3.78Å; A8-Y225 HydrophobicContact CB-CE2 4.02Å |
| 9 | K | 80.2 | Confident | 77.6 | Confident | 24 Ų | 24 | 72.1 Ų | 72.1 | 10% | 0.104 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.6 | -47.7 | 175.7 | -72 | 172.5 | -173.7 | 165.3 | 0 | 111.7 | E5 R6 N11 S12 L15 E31 Y225 | E5-K9 WeakPolarHBondContact O-CG 3.31Å; E5-K9 PolarHBondContact O-N 2.93Å; E5-K9 WeakPolarHBondContact OE1-CE 3.31Å; E5-K9 IonicContact OE1-NZ 3.46Å; E5-K9 PolarHBondContact OE1-NZ 3.05Å; R6-K9 PolarHBondContact O-N 3.44Å; K9-N11 VanDerWaalsContact C-N 3.26Å; K9-N11 PolarHBondContact O-N 3.46Å; K9-S12 PolarHBondContact O-N 2.9Å; K9-L15 HydrophobicContact CB-CD2 4.19Å; K9-L15 HydrophobicContact CG-CD2 4.25Å; K9-E31 VanDerWaalsContact NZ-CD 3.3Å; K9-E31 IonicContact NZ-OE1 3.74Å; K9-E31 PolarHBondContact NZ-OE1 3.34Å; K9-E31 IonicContact NZ-OE2 2.56Å; K9-E31 PolarHBondContact NZ-OE2 3.3Å; K9-Y225 HydrophobicContact CD-CE1 4.14Å; K9-Y225 WeakPolarHBondContact CE-OH 3.35Å; K9-Y225 HydrophobicContact CG-CD1 3.86Å; K9-Y225 HydrophobicContact CG-CD2 4.16Å; K9-Y225 HydrophobicContact CG-CE1 3.66Å; K9-Y225 HydrophobicContact CG-CE2 3.97Å; K9-Y225 HydrophobicContact CG-CG 4.12Å |
| 10 | E | 79.2 | Confident | 77.4 | Confident | 124 Ų | 124 | 70.7 Ų | 70.7 | 58% | 0.579 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.6 | -31.3 | -178.7 | -72.4 | 169.9 | -176.2 | 0 | 0 | 112.5 | R6 | R6-E10 HydrophobicContact CG-CG 4.49Å; R6-E10 VanDerWaalsContact CG-OE1 3.29Å; R6-E10 WeakPolarHBondContact CG-OE1 3.31Å; R6-E10 IonicContact CZ-OE1 2.84Å; R6-E10 IonicContact NE-OE1 3.39Å; R6-E10 PolarHBondContact NE-OE1 3.48Å; R6-E10 IonicContact NH2-OE1 3.21Å; R6-E10 WeakPolarHBondContact O-CG 3.48Å; R6-E10 PolarHBondContact O-N 3.31Å |
| 11 | N | 77.3 | Confident | 76.8 | Confident | 35 Ų | 35 | 72 Ų | 72 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 14.2 | 179.8 | -64.9 | -61.4 | 0 | 0 | 0 | 113.9 | H7 K9 S219 V221 C222 | H7-N11 PolarHBondContact CE1-ND2 3.18Å; H7-N11 PolarHBondContact ND1-ND2 3.43Å; H7-N11 PolarHBondContact NE2-ND2 3.28Å; H7-N11 WeakPolarHBondContact O-CB 3.42Å; H7-N11 PolarHBondContact O-N 3.47Å; H7-N11 PolarHBondContact O-ND2 3.41Å; K9-N11 VanDerWaalsContact C-N 3.26Å; K9-N11 PolarHBondContact O-N 3.46Å; N11-S219 PolarHBondContact OD1-OG 3.45Å; N11-V221 CarbonylContact O-C 3.51Å; N11-V221 VanDerWaalsContact O-CA 3.28Å; N11-V221 WeakPolarHBondContact O-CA 3.38Å; N11-V221 WeakPolarHBondContact O-CG1 3.49Å; N11-C222 PolarHBondContact O-N 3.24Å |
| 12 | S | 78 | Confident | 77.1 | Confident | 10 Ų | 10 | 71.7 Ų | 71.7 | 7% | 0.07 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 132.7 | 179.3 | -71.2 | 0 | 0 | 0 | 0 | 112.3 | A8 K9 V14 C222 Y225 | A8-S12 WeakPolarHBondContact O-CB 3.41Å; A8-S12 PolarHBondContact O-N 3.4Å; A8-S12 PolarHBondContact O-OG 2.78Å; K9-S12 PolarHBondContact O-N 2.9Å; S12-V14 VanDerWaalsContact C-N 3.31Å; S12-V14 PolarHBondContact O-N 2.85Å; S12-C222 VanDerWaalsContact CA-O 3.28Å; S12-C222 WeakPolarHBondContact CA-O 3.49Å; S12-Y225 WeakPolarHBondContact OG-CB 3.34Å |
| 13 | R | 77.6 | Confident | 76.6 | Confident | 119 Ų | 119 | 69.7 Ų | 69.7 | 45% | 0.449 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | -32.9 | 178 | -69.4 | 177.2 | 169.7 | 170.1 | -10.3 | 112.8 | P41 V221 C222 D223 | R13-P41 VanDerWaalsContact O-CB 3.24Å; R13-P41 WeakPolarHBondContact O-CB 3.31Å; R13-P41 WeakPolarHBondContact O-CG 3.33Å; R13-V221 HydrophobicContact CG-CG1 3.46Å; R13-V221 VanDerWaalsContact CG-CG1 3.46Å; R13-C222 PolarHBondContact N-O 3.4Å; R13-D223 WeakPolarHBondContact CD-OD1 3.38Å; R13-D223 IonicContact CZ-OD1 2.84Å; R13-D223 IonicContact NE-OD1 3.69Å; R13-D223 IonicContact NH1-OD1 3.86Å; R13-D223 PolarHBondContact NH1-OD1 3.23Å |
| 14 | V | 83.4 | Confident | 75.7 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 2% | 0.018 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 132.2 | 179 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | S12 I43 I91 I94 D223 I224 Y225 | S12-V14 VanDerWaalsContact C-N 3.31Å; S12-V14 PolarHBondContact O-N 2.85Å; V14-I43 HydrophobicContact CG1-CD1 3.61Å; V14-I43 HydrophobicContact CG1-CG1 4.04Å; V14-I91 HydrophobicContact CG1-CG1 4.19Å; V14-I94 HydrophobicContact CG2-CG2 4.17Å; V14-D223 PolarHBondContact N-O 2.9Å; V14-I224 WeakPolarHBondContact O-CA 3.36Å; V14-Y225 PolarHBondContact O-N 3.47Å |
| 15 | L | 85.8 | Confident | 75.4 | Confident | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.021 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 114.4 | 173.2 | -57.4 | 177.7 | 0 | 0 | 0 | 108.3 | K9 F17 L35 A40 P41 L42 I43 Y225 | K9-L15 HydrophobicContact CB-CD2 4.19Å; K9-L15 HydrophobicContact CG-CD2 4.25Å; L15-F17 HydrophobicContact CB-CD2 4.42Å; L15-F17 HydrophobicContact CB-CE2 4.16Å; L15-L35 HydrophobicContact CD1-CD1 4.2Å; L15-L35 HydrophobicContact CD1-CD2 4.43Å; L15-A40 HydrophobicContact CD1-CB 3.81Å; L15-P41 PolarHBondContact N-O 3.4Å; L15-L42 HydrophobicContact CB-CD1 3.8Å; L15-L42 CarbonylContact O-C 3.59Å; L15-L42 WeakPolarHBondContact O-CA 3.43Å; L15-I43 PolarHBondContact O-N 2.82Å; L15-Y225 HydrophobicContact CD2-CD1 3.83Å; L15-Y225 HydrophobicContact CD2-CG 4.05Å |
| 16 | L | 87.1 | Confident | 75.6 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 117.8 | 174.5 | 175.7 | 63.4 | 0 | 0 | 0 | 109.4 | V18 I43 V45 L84 A87 I91 I224 Y225 V226 G227 | L16-V18 HydrophobicContact CG-CG2 4.43Å; L16-I43 WeakPolarHBondContact CA-O 3.49Å; L16-I43 HydrophobicContact CD1-CB 4.29Å; L16-I43 HydrophobicContact CD1-CG2 4.09Å; L16-V45 HydrophobicContact CD1-CG2 3.93Å; L16-L84 HydrophobicContact CD2-CD1 3.95Å; L16-A87 HydrophobicContact CD1-CB 3.96Å; L16-I91 HydrophobicContact CB-CD1 4.22Å; L16-I91 HydrophobicContact CD1-CD1 4.17Å; L16-I91 HydrophobicContact CD2-CD1 3.89Å; L16-I91 HydrophobicContact CG-CD1 4.31Å; L16-I224 HydrophobicContact CB-CG2 4.25Å; L16-Y225 PolarHBondContact N-O 3.21Å; L16-V226 HydrophobicContact CD2-CG2 4.44Å; L16-V226 CarbonylContact O-C 3.59Å; L16-V226 WeakPolarHBondContact O-CA 3.48Å; L16-G227 PolarHBondContact O-N 3.17Å |
| 17 | F | 86.3 | Confident | 75.8 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 0% | 0.004 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 127.6 | 172.6 | -81.5 | -104 | 0 | 0 | 0 | 111 | L15 E31 I32 L35 L42 I43 V44 V45 Y225 G227 | L15-F17 HydrophobicContact CB-CD2 4.42Å; L15-F17 HydrophobicContact CB-CE2 4.16Å; F17-E31 HydrophobicContact CE1-CG 4.07Å; F17-E31 HydrophobicContact CZ-CG 4.06Å; F17-I32 HydrophobicContact CB-CD1 3.89Å; F17-I32 HydrophobicContact CB-CG1 3.88Å; F17-I32 HydrophobicContact CD1-CD1 4.08Å; F17-I32 HydrophobicContact CD1-CG1 3.67Å; F17-I32 HydrophobicContact CD2-CG1 4.49Å; F17-I32 HydrophobicContact CE1-CG1 4.31Å; F17-I32 HydrophobicContact CG-CD1 4.22Å; F17-I32 HydrophobicContact CG-CG1 3.75Å; F17-L35 HydrophobicContact CE2-CD1 3.6Å; F17-L35 HydrophobicContact CZ-CD1 3.48Å; F17-L35 VanDerWaalsContact CZ-CD1 3.48Å; F17-L42 HydrophobicContact CD2-CD1 3.23Å; F17-L42 HydrophobicContact CE2-CD1 3.62Å; F17-L42 HydrophobicContact CG-CD1 4.18Å; F17-I43 PolarHBondContact N-O 3.35Å; F17-V44 HydrophobicContact CB-CG1 4.49Å; F17-V45 PolarHBondContact O-N 2.76Å; F17-Y225 HydrophobicContact CZ-CE1 4.48Å; F17-G227 VanDerWaalsContact CA-O 3.31Å; F17-G227 WeakPolarHBondContact CA-O 3.47Å |
| 18 | V | 81.9 | Confident | 76.2 | Confident | 19 Ų | 19 | 61.1 Ų | 61.1 | 12% | 0.115 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 115.7 | 172.3 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | L16 V45 L84 G227 G228 M231 | L16-V18 HydrophobicContact CG-CG2 4.43Å; V18-V45 HydrophobicContact CG1-CB 4.49Å; V18-V45 HydrophobicContact CG2-CB 4.37Å; V18-V45 HydrophobicContact CG2-CG2 4.34Å; V18-L84 HydrophobicContact CG2-CD1 4.31Å; V18-G227 PolarHBondContact N-O 3.2Å; V18-G228 WeakPolarHBondContact O-CA 3.45Å; V18-M231 HydrophobicContact CB-SD 4.1Å; V18-M231 HydrophobicContact CG1-SD 4.3Å; V18-M231 HydrophobicContact CG2-CE 4.36Å; V18-M231 HydrophobicContact CG2-SD 4.24Å |
| 19 | V | 81.2 | Confident | 76.6 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | trans | -93.6 | 117.1 | 177.4 | -177.9 | 0 | 0 | 0 | 0 | 108.7 | L29 I32 V44 V45 L46 P47 M66 | V19-L29 HydrophobicContact CG1-CD2 4.06Å; V19-L29 HydrophobicContact CG2-CD2 4.09Å; V19-I32 HydrophobicContact CG2-CD1 3.52Å; V19-V44 HydrophobicContact CG2-CG1 4.25Å; V19-V45 PolarHBondContact N-O 3.43Å; V19-V45 VanDerWaalsContact N-O 3.12Å; V19-L46 HydrophobicContact CB-CD2 4.21Å; V19-L46 HydrophobicContact CG2-CD2 3.98Å; V19-P47 WeakPolarHBondContact O-CD 3.34Å; V19-M66 HydrophobicContact CG1-CE 4.27Å | ||
| 20 | D | 73.6 | Confident | 76.9 | Confident | 45 Ų | 45 | 64 Ų | 64 | 24% | 0.241 | 29% | 0.292 | C | S | . | . | trans | -97.4 | 138.3 | 163.2 | -161.3 | -19.1 | 0 | 0 | 0 | 109.2 | R22 S25 | D20-R22 PolarHBondContact OD1-N 2.92Å; D20-S25 WeakPolarHBondContact O-CB 3.36Å; D20-S25 PolarHBondContact O-OG 2.89Å | ||
| 21 | Y | 63.6 | Low | 77.2 | Confident | 99 Ų | 99 | 60.5 Ų | 60.5 | 39% | 0.388 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -86.8 | -20.3 | 178.7 | 69.6 | -86.6 | 0 | 0 | 0 | 112.2 | Q23 P47 F52 | Y21-Q23 PolarHBondContact O-N 3.26Å; Y21-P47 HydrophobicContact CD1-CG 4.45Å; Y21-F52 AromaticContact CD1-CE1 3.31Å; Y21-F52 HydrophobicContact CD1-CE1 3.31Å; Y21-F52 AromaticContact CD1-CZ 3.37Å; Y21-F52 HydrophobicContact CD1-CZ 3.37Å; Y21-F52 HydrophobicContact CD2-CD1 4.17Å; Y21-F52 AromaticContact CD2-CE1 3.43Å; Y21-F52 HydrophobicContact CD2-CE1 3.43Å; Y21-F52 VanDerWaalsContact CD2-CE1 3.43Å; Y21-F52 HydrophobicContact CD2-CZ 4.29Å; Y21-F52 AromaticContact CE1-CE1 3.49Å; Y21-F52 HydrophobicContact CE1-CE1 3.49Å; Y21-F52 VanDerWaalsContact CE1-CE1 3.49Å; Y21-F52 AromaticContact CE1-CZ 3.78Å; Y21-F52 HydrophobicContact CE1-CZ 3.78Å; Y21-F52 HydrophobicContact CE2-CD1 4.32Å; Y21-F52 AromaticContact CE2-CE1 3.63Å; Y21-F52 HydrophobicContact CE2-CE1 3.63Å; Y21-F52 HydrophobicContact CG-CD1 4.32Å; Y21-F52 AromaticContact CG-CE1 3.25Å; Y21-F52 HydrophobicContact CG-CE1 3.25Å; Y21-F52 AromaticContact CG-CZ 3.64Å; Y21-F52 HydrophobicContact CG-CZ 3.64Å; Y21-F52 AromaticContact CZ-CE1 3.65Å |
| 22 | R | 63.4 | Low | 77.7 | Confident | 194 Ų | 194 | 58.9 Ų | 58.9 | 73% | 0.732 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -67.3 | -22 | -179.1 | -68.6 | -176.2 | 169.5 | -168.9 | -4 | 112.1 | D20 | D20-R22 PolarHBondContact OD1-N 2.92Š|
| 23 | Q | 61.4 | Low | 78.2 | Confident | 73 Ų | 73 | 60.2 Ų | 60.2 | 34% | 0.341 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -110.1 | 146.7 | 178.5 | -59.7 | -171.4 | -9.3 | 0 | 0 | 109.2 | Y21 S25 T229 | Y21-Q23 PolarHBondContact O-N 3.26Å; Q23-S25 VanDerWaalsContact C-N 3.27Å; Q23-S25 PolarHBondContact O-N 2.86Å; Q23-S25 PolarHBondContact O-OG 3.33Å; Q23-T229 HydrophobicContact CB-CG2 4.43Å; Q23-T229 VanDerWaalsContact OE1-C 3.27Å; Q23-T229 VanDerWaalsContact OE1-CB 3.29Å; Q23-T229 PolarHBondContact OE1-O 3.13Å |
| 24 | R | 55.8 | Low | 78.7 | Confident | 250 Ų | 250 | 61.2 Ų | 61.2 | 94% | 0.943 | 28% | 0.28 | S | S | * | . | trans | -62.1 | 88.4 | 175.5 | -78.7 | -176.1 | 176.2 | 176.6 | -1.2 | 109.4 | ||||
| 25 | S | 68.3 | Low | 78.9 | Confident | 10 Ų | 10 | 61.9 Ų | 61.9 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | trans | -94.2 | 13.5 | -173.2 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | D20 Q23 V27 T28 L29 T229 | D20-S25 WeakPolarHBondContact O-CB 3.36Å; D20-S25 PolarHBondContact O-OG 2.89Å; Q23-S25 VanDerWaalsContact C-N 3.27Å; Q23-S25 PolarHBondContact O-N 2.86Å; Q23-S25 PolarHBondContact O-OG 3.33Å; S25-V27 VanDerWaalsContact C-N 3.26Å; S25-V27 PolarHBondContact O-N 3.31Å; S25-T28 VanDerWaalsContact CB-OG1 3.32Å; S25-T28 WeakPolarHBondContact CB-OG1 3.33Å; S25-T28 PolarHBondContact O-N 2.91Å; S25-T28 PolarHBondContact O-OG1 2.84Å; S25-L29 WeakPolarHBondContact O-CG 3.34Å; S25-L29 PolarHBondContact O-N 2.93Å; S25-T229 VanDerWaalsContact CB-CG2 3.47Å | ||
| 26 | L | 76.1 | Confident | 78.9 | Confident | 106 Ų | 106 | 61.7 Ų | 61.7 | 56% | 0.555 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -56.5 | -38.9 | -178.8 | -173.6 | 139.1 | 0 | 0 | 0 | 112.6 | T28 L29 I30 | L26-T28 PolarHBondContact O-N 3.31Å; L26-L29 PolarHBondContact O-N 2.78Å; L26-I30 HydrophobicContact CD2-CD1 3.47Å; L26-I30 VanDerWaalsContact CD2-CD1 3.47Å; L26-I30 HydrophobicContact CD2-CG1 4.29Å; L26-I30 HydrophobicContact CG-CD1 4.34Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.15Å |
| 27 | V | 81.5 | Confident | 78.8 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 68% | 0.679 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | S25 L29 I30 E31 | S25-V27 VanDerWaalsContact C-N 3.26Å; S25-V27 PolarHBondContact O-N 3.31Å; V27-L29 VanDerWaalsContact C-N 3.3Å; V27-L29 PolarHBondContact O-N 2.85Å; V27-I30 PolarHBondContact O-N 2.82Å; V27-E31 WeakPolarHBondContact O-CB 3.18Å; V27-E31 PolarHBondContact O-N 2.87Å |
| 28 | T | 83.1 | Confident | 78.8 | Confident | 16 Ų | 16 | 69.9 Ų | 69.9 | 10% | 0.098 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.6 | -31.3 | 177.9 | 62.4 | 0 | 0 | 0 | 0 | 112.5 | S25 L26 E31 I32 T229 | S25-T28 VanDerWaalsContact CB-OG1 3.32Å; S25-T28 WeakPolarHBondContact CB-OG1 3.33Å; S25-T28 PolarHBondContact O-N 2.91Å; S25-T28 PolarHBondContact O-OG1 2.84Å; L26-T28 PolarHBondContact O-N 3.31Å; T28-E31 PolarHBondContact O-N 3.41Å; T28-I32 WeakPolarHBondContact O-CB 3.26Å; T28-I32 WeakPolarHBondContact O-CD1 3.46Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 2.96Å; T28-T229 HydrophobicContact CG2-CG2 3.69Å |
| 29 | L | 84.9 | Confident | 78.9 | Confident | 9 Ų | 9 | 76.7 Ų | 76.7 | 5% | 0.047 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70.5 | -44 | 175.5 | -65.7 | 169.9 | 0 | 0 | 0 | 111.8 | V19 S25 L26 V27 E31 I32 V33 T65 M66 V69 | V19-L29 HydrophobicContact CG1-CD2 4.06Å; V19-L29 HydrophobicContact CG2-CD2 4.09Å; S25-L29 WeakPolarHBondContact O-CG 3.34Å; S25-L29 PolarHBondContact O-N 2.93Å; L26-L29 PolarHBondContact O-N 2.78Å; V27-L29 VanDerWaalsContact C-N 3.3Å; V27-L29 PolarHBondContact O-N 2.85Å; L29-E31 PolarHBondContact O-N 2.81Å; L29-I32 HydrophobicContact CD2-CD1 4.44Å; L29-I32 PolarHBondContact O-N 3.43Å; L29-V33 WeakPolarHBondContact O-CG2 3.26Å; L29-V33 PolarHBondContact O-N 2.94Å; L29-T65 HydrophobicContact CD1-CG2 4.05Å; L29-M66 HydrophobicContact CD1-CE 3.31Å; L29-M66 HydrophobicContact CD2-CE 3.72Å; L29-M66 HydrophobicContact CD2-SD 4.38Å; L29-M66 HydrophobicContact CG-CE 4.1Å; L29-V69 HydrophobicContact CB-CG2 4.21Å; L29-V69 HydrophobicContact CD2-CG1 4.2Å; L29-V69 HydrophobicContact CD2-CG2 4.18Å |
| 30 | I | 84.8 | Confident | 79 | Confident | 106 Ų | 106 | 77.3 Ų | 77.3 | 54% | 0.544 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 173.5 | -68.9 | 172.9 | 0 | 0 | 0 | 109.7 | L26 V27 V33 Y34 | L26-I30 HydrophobicContact CD2-CD1 3.47Å; L26-I30 VanDerWaalsContact CD2-CD1 3.47Å; L26-I30 HydrophobicContact CD2-CG1 4.29Å; L26-I30 HydrophobicContact CG-CD1 4.34Å; L26-I30 WeakPolarHBondContact O-CG1 3.43Å; L26-I30 PolarHBondContact O-N 3.15Å; V27-I30 PolarHBondContact O-N 2.82Å; I30-V33 PolarHBondContact O-N 3.28Å; I30-Y34 WeakPolarHBondContact O-CB 3.5Å; I30-Y34 PolarHBondContact O-N 3.3Å |
| 31 | E | 86.3 | Confident | 79.4 | Confident | 51 Ų | 51 | 78.6 Ų | 78.6 | 24% | 0.238 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.6 | -44.3 | 176.7 | 174.5 | 162.4 | -127.2 | 0 | 0 | 112.8 | K9 F17 V27 T28 L29 V33 Y34 L35 | K9-E31 VanDerWaalsContact NZ-CD 3.3Å; K9-E31 IonicContact NZ-OE1 3.74Å; K9-E31 PolarHBondContact NZ-OE1 3.34Å; K9-E31 IonicContact NZ-OE2 2.56Å; K9-E31 PolarHBondContact NZ-OE2 3.3Å; F17-E31 HydrophobicContact CE1-CG 4.07Å; F17-E31 HydrophobicContact CZ-CG 4.06Å; V27-E31 WeakPolarHBondContact O-CB 3.18Å; V27-E31 PolarHBondContact O-N 2.87Å; T28-E31 PolarHBondContact O-N 3.41Å; L29-E31 PolarHBondContact O-N 2.81Å; E31-V33 VanDerWaalsContact C-N 3.29Å; E31-V33 PolarHBondContact O-N 2.8Å; E31-Y34 PolarHBondContact O-N 3.25Å; E31-L35 HydrophobicContact CG-CD1 3.81Å; E31-L35 HydrophobicContact CG-CG 4.3Å; E31-L35 WeakPolarHBondContact O-CB 3.41Å; E31-L35 WeakPolarHBondContact O-CG 3.46Å; E31-L35 PolarHBondContact O-N 3.43Å |
| 32 | I | 88.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.2 | -46.9 | 174 | -78.1 | 160.1 | 0 | 0 | 0 | 110.3 | F17 V19 T28 L29 L35 A36 L42 V44 V69 L73 | F17-I32 HydrophobicContact CB-CD1 3.89Å; F17-I32 HydrophobicContact CB-CG1 3.88Å; F17-I32 HydrophobicContact CD1-CD1 4.08Å; F17-I32 HydrophobicContact CD1-CG1 3.67Å; F17-I32 HydrophobicContact CD2-CG1 4.49Å; F17-I32 HydrophobicContact CE1-CG1 4.31Å; F17-I32 HydrophobicContact CG-CD1 4.22Å; F17-I32 HydrophobicContact CG-CG1 3.75Å; V19-I32 HydrophobicContact CG2-CD1 3.52Å; T28-I32 WeakPolarHBondContact O-CB 3.26Å; T28-I32 WeakPolarHBondContact O-CD1 3.46Å; T28-I32 WeakPolarHBondContact O-CG1 3.48Å; T28-I32 PolarHBondContact O-N 2.96Å; L29-I32 HydrophobicContact CD2-CD1 4.44Å; L29-I32 PolarHBondContact O-N 3.43Å; I32-L35 PolarHBondContact O-N 3.3Å; I32-A36 WeakPolarHBondContact O-CB 3.47Å; I32-A36 PolarHBondContact O-N 2.94Å; I32-L42 HydrophobicContact CG2-CD2 3.99Å; I32-V44 HydrophobicContact CD1-CG1 3.88Å; I32-V44 HydrophobicContact CG2-CG1 4.45Å; I32-V44 HydrophobicContact CG2-CG2 3.88Å; I32-V69 HydrophobicContact CG2-CG1 4.41Å; I32-L73 HydrophobicContact CG2-CD1 4.16Å; I32-L73 HydrophobicContact CG2-CD2 3.73Å; I32-L73 HydrophobicContact CG2-CG 4.35Å |
| 33 | V | 87.7 | Confident | 81.6 | Confident | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 179.1 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | L29 I30 E31 A36 A37 V69 V72 | L29-V33 WeakPolarHBondContact O-CG2 3.26Å; L29-V33 PolarHBondContact O-N 2.94Å; I30-V33 PolarHBondContact O-N 3.28Å; E31-V33 VanDerWaalsContact C-N 3.29Å; E31-V33 PolarHBondContact O-N 2.8Å; V33-A36 WeakPolarHBondContact O-CB 3.45Å; V33-A36 PolarHBondContact O-N 3.31Å; V33-A37 PolarHBondContact O-N 3.19Å; V33-V69 HydrophobicContact CG2-CG1 4.47Å; V33-V69 HydrophobicContact CG2-CG2 4.16Å; V33-V72 HydrophobicContact CG1-CG1 4.19Å; V33-V72 HydrophobicContact CG2-CG1 4.38Å |
| 34 | Y | 88.5 | Confident | 82.9 | Confident | 140 Ų | 140 | 61.5 Ų | 61.5 | 55% | 0.549 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -47.2 | 176.2 | 175.1 | -100.2 | 0 | 0 | 0 | 111.9 | I30 E31 A36 A37 L38 | I30-Y34 WeakPolarHBondContact O-CB 3.5Å; I30-Y34 PolarHBondContact O-N 3.3Å; E31-Y34 PolarHBondContact O-N 3.25Å; Y34-A36 VanDerWaalsContact C-N 3.3Å; Y34-A36 PolarHBondContact O-N 3.31Å; Y34-A37 PolarHBondContact O-N 3.27Å; Y34-L38 HydrophobicContact CD1-CD1 4.13Å; Y34-L38 HydrophobicContact CE1-CD1 3.49Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.49Å; Y34-L38 HydrophobicContact CE1-CG 4.46Å; Y34-L38 HydrophobicContact CE2-CD1 4.45Å; Y34-L38 WeakPolarHBondContact O-CG 3.37Å; Y34-L38 PolarHBondContact O-N 2.9Å |
| 35 | L | 87.6 | Confident | 84.3 | Confident | 17 Ų | 17 | 50.1 Ų | 50.1 | 9% | 0.089 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.3 | -32.6 | 177 | -70 | 171.7 | 0 | 0 | 0 | 112.3 | L15 F17 E31 I32 L38 Q39 A40 | L15-L35 HydrophobicContact CD1-CD1 4.2Å; L15-L35 HydrophobicContact CD1-CD2 4.43Å; F17-L35 HydrophobicContact CE2-CD1 3.6Å; F17-L35 HydrophobicContact CZ-CD1 3.48Å; F17-L35 VanDerWaalsContact CZ-CD1 3.48Å; E31-L35 HydrophobicContact CG-CD1 3.81Å; E31-L35 HydrophobicContact CG-CG 4.3Å; E31-L35 WeakPolarHBondContact O-CB 3.41Å; E31-L35 WeakPolarHBondContact O-CG 3.46Å; E31-L35 PolarHBondContact O-N 3.43Å; I32-L35 PolarHBondContact O-N 3.3Å; L35-L38 PolarHBondContact O-N 3.4Å; L35-Q39 PolarHBondContact O-N 3.44Å; L35-A40 HydrophobicContact CB-CB 4.3Å; L35-A40 HydrophobicContact CD2-CB 4.47Å; L35-A40 WeakPolarHBondContact O-CB 3.48Å; L35-A40 PolarHBondContact O-N 2.97Å; L35-A40 VanDerWaalsContact O-N 3.13Å |
| 36 | A | 86.6 | Confident | 85 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -46.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I32 V33 Y34 L38 Q39 L73 E76 I78 | I32-A36 WeakPolarHBondContact O-CB 3.47Å; I32-A36 PolarHBondContact O-N 2.94Å; V33-A36 WeakPolarHBondContact O-CB 3.45Å; V33-A36 PolarHBondContact O-N 3.31Å; Y34-A36 VanDerWaalsContact C-N 3.3Å; Y34-A36 PolarHBondContact O-N 3.31Å; A36-L38 PolarHBondContact O-N 3.25Å; A36-Q39 PolarHBondContact O-N 2.82Å; A36-L73 HydrophobicContact CB-CD2 4.09Å; A36-E76 HydrophobicContact CB-CG 4.35Å; A36-I78 VanDerWaalsContact CA-CD1 3.44Å; A36-I78 HydrophobicContact CB-CD1 3.15Å |
| 37 | A | 84.5 | Confident | 84.8 | Confident | 68 Ų | 68 | 46.3 Ų | 46.3 | 56% | 0.562 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.4 | -28.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V33 Y34 Q39 | V33-A37 PolarHBondContact O-N 3.19Å; Y34-A37 PolarHBondContact O-N 3.27Å; A37-Q39 PolarHBondContact O-N 3.18Å |
| 38 | L | 85.8 | Confident | 84.4 | Confident | 105 Ų | 105 | 42.8 Ų | 42.8 | 55% | 0.55 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 3.8 | 173.3 | -66 | 179.3 | 0 | 0 | 0 | 113.9 | Y34 L35 A36 A40 | Y34-L38 HydrophobicContact CD1-CD1 4.13Å; Y34-L38 HydrophobicContact CE1-CD1 3.49Å; Y34-L38 VanDerWaalsContact CE1-CD1 3.49Å; Y34-L38 HydrophobicContact CE1-CG 4.46Å; Y34-L38 HydrophobicContact CE2-CD1 4.45Å; Y34-L38 WeakPolarHBondContact O-CG 3.37Å; Y34-L38 PolarHBondContact O-N 2.9Å; L35-L38 PolarHBondContact O-N 3.4Å; A36-L38 PolarHBondContact O-N 3.25Å; L38-A40 PolarHBondContact O-N 2.98Å; L38-A40 VanDerWaalsContact O-N 3.16Å |
| 39 | Q | 83.6 | Confident | 83.5 | Confident | 162 Ų | 162 | 43.3 Ų | 43.3 | 76% | 0.757 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 30.5 | -176.3 | -58.2 | -177.5 | -8.7 | 0 | 0 | 113.4 | L35 A36 A37 | L35-Q39 PolarHBondContact O-N 3.44Å; A36-Q39 PolarHBondContact O-N 2.82Å; A37-Q39 PolarHBondContact O-N 3.18Å |
| 40 | A | 82.8 | Confident | 82.1 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | trans | -64.4 | 151.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | L15 L35 L38 L42 | L15-A40 HydrophobicContact CD1-CB 3.81Å; L35-A40 HydrophobicContact CB-CB 4.3Å; L35-A40 HydrophobicContact CD2-CB 4.47Å; L35-A40 WeakPolarHBondContact O-CB 3.48Å; L35-A40 PolarHBondContact O-N 2.97Å; L35-A40 VanDerWaalsContact O-N 3.13Å; L38-A40 PolarHBondContact O-N 2.98Å; L38-A40 VanDerWaalsContact O-N 3.16Å; A40-L42 PolarHBondContact O-N 3.35Å | ||
| 41 | P | 83.6 | Confident | 80.8 | Confident | 71 Ų | 71 | 53.7 Ų | 53.7 | 46% | 0.461 | 27% | 0.265 | S | S | . | . | trans | -73 | 75.6 | -178.1 | 30.7 | -35.9 | 0 | 0 | 0 | 111.3 | R13 L15 | R13-P41 VanDerWaalsContact O-CB 3.24Å; R13-P41 WeakPolarHBondContact O-CB 3.31Å; R13-P41 WeakPolarHBondContact O-CG 3.33Å; L15-P41 PolarHBondContact N-O 3.4Å | ||
| 42 | L | 85.9 | Confident | 79.2 | Confident | 6 Ų | 6 | 53.1 Ų | 53.1 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 141.5 | -169.3 | -169.7 | 67.5 | 0 | 0 | 0 | 112 | L15 F17 I32 A40 V44 L73 I78 P79 | L15-L42 HydrophobicContact CB-CD1 3.8Å; L15-L42 CarbonylContact O-C 3.59Å; L15-L42 WeakPolarHBondContact O-CA 3.43Å; F17-L42 HydrophobicContact CD2-CD1 3.23Å; F17-L42 HydrophobicContact CE2-CD1 3.62Å; F17-L42 HydrophobicContact CG-CD1 4.18Å; I32-L42 HydrophobicContact CG2-CD2 3.99Å; A40-L42 PolarHBondContact O-N 3.35Å; L42-V44 HydrophobicContact CD1-CG2 4.36Å; L42-V44 HydrophobicContact CD2-CG2 3.53Å; L42-V44 HydrophobicContact CG-CG2 3.65Å; L42-L73 HydrophobicContact CD2-CD2 4.31Å; L42-I78 HydrophobicContact CB-CD1 4.43Å; L42-I78 HydrophobicContact CB-CG2 3.97Å; L42-I78 HydrophobicContact CD2-CD1 4.16Å; L42-I78 HydrophobicContact CD2-CG2 4.18Å; L42-I78 HydrophobicContact CG-CG2 4.15Å; L42-I78 WeakPolarHBondContact O-CG2 3.26Å; L42-P79 WeakPolarHBondContact O-CD 3.39Å; L42-P79 WeakPolarHBondContact O-CG 3.38Å |
| 43 | I | 87.1 | Confident | 77.5 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.2 | 165.6 | -59.2 | 174.5 | 0 | 0 | 0 | 107 | V14 L15 L16 F17 P79 A87 I91 I94 | V14-I43 HydrophobicContact CG1-CD1 3.61Å; V14-I43 HydrophobicContact CG1-CG1 4.04Å; L15-I43 PolarHBondContact O-N 2.82Å; L16-I43 WeakPolarHBondContact CA-O 3.49Å; L16-I43 HydrophobicContact CD1-CB 4.29Å; L16-I43 HydrophobicContact CD1-CG2 4.09Å; F17-I43 PolarHBondContact N-O 3.35Å; I43-P79 HydrophobicContact CG1-CG 3.88Å; I43-A87 HydrophobicContact CG2-CB 4.07Å; I43-I91 HydrophobicContact CD1-CD1 4.32Å; I43-I91 HydrophobicContact CD1-CG1 3.4Å; I43-I94 HydrophobicContact CD1-CD1 3.84Å |
| 44 | V | 87.8 | Confident | 75.8 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.6 | -176.3 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | F17 V19 I32 L42 L46 L73 I78 P79 T80 C81 | F17-V44 HydrophobicContact CB-CG1 4.49Å; V19-V44 HydrophobicContact CG2-CG1 4.25Å; I32-V44 HydrophobicContact CD1-CG1 3.88Å; I32-V44 HydrophobicContact CG2-CG1 4.45Å; I32-V44 HydrophobicContact CG2-CG2 3.88Å; L42-V44 HydrophobicContact CD1-CG2 4.36Å; L42-V44 HydrophobicContact CD2-CG2 3.53Å; L42-V44 HydrophobicContact CG-CG2 3.65Å; V44-L46 HydrophobicContact CG1-CD2 4.06Å; V44-L46 HydrophobicContact CG1-CG 3.9Å; V44-L73 HydrophobicContact CB-CD1 3.99Å; V44-L73 HydrophobicContact CG1-CD1 4.14Å; V44-L73 HydrophobicContact CG2-CD1 3.88Å; V44-L73 HydrophobicContact CG2-CD2 4.1Å; V44-I78 HydrophobicContact CG2-CG2 4.24Å; V44-P79 PolarHBondContact N-O 2.92Å; V44-T80 CarbonylContact O-C 3.55Å; V44-T80 VanDerWaalsContact O-CA 3.3Å; V44-T80 WeakPolarHBondContact O-CA 3.05Å; V44-C81 PolarHBondContact O-N 2.81Å |
| 45 | V | 84.8 | Confident | 74.3 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 111.1 | 168.9 | -175.9 | 0 | 0 | 0 | 0 | 108.2 | L16 F17 V18 V19 C81 A87 | L16-V45 HydrophobicContact CD1-CG2 3.93Å; F17-V45 PolarHBondContact O-N 2.76Å; V18-V45 HydrophobicContact CG1-CB 4.49Å; V18-V45 HydrophobicContact CG2-CB 4.37Å; V18-V45 HydrophobicContact CG2-CG2 4.34Å; V19-V45 PolarHBondContact N-O 3.43Å; V19-V45 VanDerWaalsContact N-O 3.12Å; V45-C81 CarbonylContact C-O 3.56Å; V45-C81 VanDerWaalsContact CA-O 3.31Å; V45-C81 WeakPolarHBondContact CA-O 3.4Å; V45-C81 HydrophobicContact CG2-CB 4.37Å; V45-A87 HydrophobicContact CG2-CB 3.55Å |
| 46 | L | 83.1 | Confident | 72.7 | Confident | 3 Ų | 3 | 62.9 Ų | 62.9 | 2% | 0.016 | 35% | 0.351 | C | S | . | . | trans | -109.2 | 131.8 | 176 | -69.3 | 169.4 | 0 | 0 | 0 | 109.3 | V19 V44 M66 R70 L73 T80 C81 V82 | V19-L46 HydrophobicContact CB-CD2 4.21Å; V19-L46 HydrophobicContact CG2-CD2 3.98Å; V44-L46 HydrophobicContact CG1-CD2 4.06Å; V44-L46 HydrophobicContact CG1-CG 3.9Å; L46-M66 HydrophobicContact CD2-SD 4.11Å; L46-R70 HydrophobicContact CD1-CG 3.53Å; L46-L73 HydrophobicContact CD1-CD1 4.02Å; L46-T80 HydrophobicContact CD1-CG2 4.05Å; L46-C81 PolarHBondContact N-O 3.4Å; L46-V82 WeakPolarHBondContact O-CA 3.2Å | ||
| 47 | P | 73.6 | Confident | 71 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 21% | 0.208 | 39% | 0.387 | C | S | . | . | trans | -65.1 | 155.2 | 173.2 | 29 | -33.8 | 0 | 0 | 0 | 110.7 | V19 Y21 F52 R70 | V19-P47 WeakPolarHBondContact O-CD 3.34Å; Y21-P47 HydrophobicContact CD1-CG 4.45Å; P47-F52 HydrophobicContact CB-CE2 3.91Å; P47-F52 HydrophobicContact CB-CZ 3.75Å; P47-F52 HydrophobicContact CG-CE2 3.99Å; P47-F52 HydrophobicContact CG-CZ 3.8Å; P47-R70 PolarHBondContact O-NH2 2.8Å | ||
| 48 | D | 71.6 | Confident | 69.7 | Low | 39 Ų | 39 | 71.7 Ų | 71.7 | 21% | 0.209 | 39% | 0.392 | C | S | . | . | trans | -73.9 | 131.9 | -178.4 | -162.7 | 5.5 | 0 | 0 | 0 | 112.1 | Y50 R51 F52 V82 | D48-Y50 PolarHBondContact O-N 2.73Å; D48-Y50 VanDerWaalsContact O-N 3.13Å; D48-R51 PolarHBondContact O-N 3.42Å; D48-F52 WeakPolarHBondContact O-CD2 3.39Å; D48-F52 WeakPolarHBondContact O-CE2 3.29Å; D48-V82 HydrophobicContact CB-CG1 3.88Å | ||
| 49 | E | 65 | Low | 68.9 | Low | 26 Ų | 26 | 68.1 Ų | 68.1 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -57 | -31.3 | -175.5 | -77.1 | 174.9 | -149.2 | 0 | 0 | 111.9 | R51 F52 L63 Q67 R70 | E49-R51 PolarHBondContact O-N 3.13Å; E49-F52 WeakPolarHBondContact O-CB 3.32Å; E49-F52 WeakPolarHBondContact O-CD2 3.47Å; E49-F52 PolarHBondContact O-N 3.11Å; E49-F52 VanDerWaalsContact O-N 3.16Å; E49-L63 HydrophobicContact CB-CD1 4.06Å; E49-L63 HydrophobicContact CG-CD1 3.72Å; E49-Q67 PolarHBondContact OE2-NE2 3.37Å; E49-R70 WeakPolarHBondContact OE1-CD 3.34Å; E49-R70 IonicContact OE1-CZ 3.82Å; E49-R70 IonicContact OE1-NE 2.87Å; E49-R70 PolarHBondContact OE1-NE 3.11Å; E49-R70 IonicContact OE1-NH1 2.91Å; E49-R70 PolarHBondContact OE1-NH1 3.33Å |
| 50 | Y | 56.1 | Low | 68.4 | Low | 110 Ų | 110 | 63.8 Ų | 63.8 | 43% | 0.431 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -74.1 | -19.1 | -175.5 | -70.7 | -79.1 | 0 | 0 | 0 | 114.9 | D48 F52 R157 | D48-Y50 PolarHBondContact O-N 2.73Å; D48-Y50 VanDerWaalsContact O-N 3.13Å; Y50-F52 PolarHBondContact O-N 3.18Å; Y50-R157 PolarHBondContact OH-NH1 3.29Å |
| 51 | R | 55.8 | Low | 68 | Low | 223 Ų | 223 | 69.9 Ų | 69.9 | 84% | 0.842 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -68.2 | -10.2 | 171 | -74.3 | -172.7 | 174.3 | -175.4 | -2 | 112.4 | D48 E49 | D48-R51 PolarHBondContact O-N 3.42Å; E49-R51 PolarHBondContact O-N 3.13Å |
| 52 | F | 52.8 | Low | 67.6 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 18% | 0.175 | 38% | 0.383 | C | S | . | . | G | 310 helix | trans | -107.6 | -8.2 | -170.2 | -56 | -67.8 | 0 | 0 | 0 | 115.3 | Y21 P47 D48 E49 Y50 G54 N59 | Y21-F52 AromaticContact CD1-CE1 3.31Å; Y21-F52 HydrophobicContact CD1-CE1 3.31Å; Y21-F52 AromaticContact CD1-CZ 3.37Å; Y21-F52 HydrophobicContact CD1-CZ 3.37Å; Y21-F52 HydrophobicContact CD2-CD1 4.17Å; Y21-F52 AromaticContact CD2-CE1 3.43Å; Y21-F52 HydrophobicContact CD2-CE1 3.43Å; Y21-F52 VanDerWaalsContact CD2-CE1 3.43Å; Y21-F52 HydrophobicContact CD2-CZ 4.29Å; Y21-F52 AromaticContact CE1-CE1 3.49Å; Y21-F52 HydrophobicContact CE1-CE1 3.49Å; Y21-F52 VanDerWaalsContact CE1-CE1 3.49Å; Y21-F52 AromaticContact CE1-CZ 3.78Å; Y21-F52 HydrophobicContact CE1-CZ 3.78Å; Y21-F52 HydrophobicContact CE2-CD1 4.32Å; Y21-F52 AromaticContact CE2-CE1 3.63Å; Y21-F52 HydrophobicContact CE2-CE1 3.63Å; Y21-F52 HydrophobicContact CG-CD1 4.32Å; Y21-F52 AromaticContact CG-CE1 3.25Å; Y21-F52 HydrophobicContact CG-CE1 3.25Å; Y21-F52 AromaticContact CG-CZ 3.64Å; Y21-F52 HydrophobicContact CG-CZ 3.64Å; Y21-F52 AromaticContact CZ-CE1 3.65Å; P47-F52 HydrophobicContact CB-CE2 3.91Å; P47-F52 HydrophobicContact CB-CZ 3.75Å; P47-F52 HydrophobicContact CG-CE2 3.99Å; P47-F52 HydrophobicContact CG-CZ 3.8Å; D48-F52 WeakPolarHBondContact O-CD2 3.39Å; D48-F52 WeakPolarHBondContact O-CE2 3.29Å; E49-F52 WeakPolarHBondContact O-CB 3.32Å; E49-F52 WeakPolarHBondContact O-CD2 3.47Å; E49-F52 PolarHBondContact O-N 3.11Å; E49-F52 VanDerWaalsContact O-N 3.16Å; Y50-F52 PolarHBondContact O-N 3.18Å; F52-G54 PolarHBondContact O-N 3.36Å; F52-N59 PolarHBondContact O-ND2 3.3Å |
| 53 | A | 52.6 | Low | 67.1 | Low | 82 Ų | 82 | 75.1 Ų | 75.1 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -1.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 54 | G | 52.9 | Low | 66.8 | Low | 78 Ų | 78 | 81.1 Ų | 81.1 | 80% | 0.804 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -20.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 117 | F52 | F52-G54 PolarHBondContact O-N 3.36Š|
| 55 | S | 56.4 | Low | 66.5 | Low | 64 Ų | 64 | 83.8 Ų | 83.8 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -126.9 | 117.7 | 176.2 | 65.9 | 0 | 0 | 0 | 0 | 111.9 | N59 | S55-N59 VanDerWaalsContact O-CB 3.31Å; S55-N59 WeakPolarHBondContact O-CB 3.36Å; S55-N59 VanDerWaalsContact O-CG 3.28Å; S55-N59 PolarHBondContact O-ND2 2.79Å; S55-N59 PolarHBondContact OG-ND2 3.37Å |
| 56 | Q | 54.1 | Low | 66.2 | Low | 177 Ų | 177 | 84.8 Ų | 84.8 | 83% | 0.827 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -24.7 | -156 | -66.9 | -142 | -10.3 | 0 | 0 | 116.6 | T60 | Q56-T60 WeakPolarHBondContact O-CG2 3.24Š|
| 57 | C | 52.1 | Low | 66.2 | Low | 112 Ų | 112 | 88.2 Ų | 88.2 | 76% | 0.757 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -59.5 | -170.6 | -154 | 0 | 0 | 0 | 0 | 113.3 | N59 T60 | C57-N59 PolarHBondContact O-N 3.43Å; C57-N59 VanDerWaalsContact O-N 3.15Å; C57-T60 PolarHBondContact O-N 2.86Å; C57-T60 PolarHBondContact O-OG1 2.87Å |
| 58 | E | 57 | Low | 66.7 | Low | 140 Ų | 140 | 92 Ų | 92 | 65% | 0.654 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.1 | -178.8 | -73.5 | -165.8 | 163.5 | 0 | 0 | 114.4 | R62 | E58-R62 IonicContact OE2-NH2 3.85Š|
| 59 | N | 68.5 | Low | 67.3 | Low | 30 Ų | 30 | 90.4 Ų | 90.4 | 16% | 0.16 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -86.4 | -12.9 | -175.9 | -66 | -10.7 | 0 | 0 | 0 | 113.3 | F52 S55 C57 L63 | F52-N59 PolarHBondContact O-ND2 3.3Å; S55-N59 VanDerWaalsContact O-CB 3.31Å; S55-N59 WeakPolarHBondContact O-CB 3.36Å; S55-N59 VanDerWaalsContact O-CG 3.28Å; S55-N59 PolarHBondContact O-ND2 2.79Å; S55-N59 PolarHBondContact OG-ND2 3.37Å; C57-N59 PolarHBondContact O-N 3.43Å; C57-N59 VanDerWaalsContact O-N 3.15Å; N59-L63 WeakPolarHBondContact O-CB 3.37Å; N59-L63 PolarHBondContact O-N 3.36Å |
| 60 | T | 73.5 | Confident | 68.3 | Low | 72 Ų | 72 | 89.9 Ų | 89.9 | 44% | 0.442 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.8 | -53.6 | -176 | 53.7 | 0 | 0 | 0 | 0 | 112.4 | Q56 C57 R62 L63 Q64 | Q56-T60 WeakPolarHBondContact O-CG2 3.24Å; C57-T60 PolarHBondContact O-N 2.86Å; C57-T60 PolarHBondContact O-OG1 2.87Å; T60-R62 VanDerWaalsContact C-N 3.29Å; T60-R62 PolarHBondContact O-N 2.88Å; T60-L63 WeakPolarHBondContact O-CB 3.36Å; T60-L63 PolarHBondContact O-N 3.46Å; T60-Q64 WeakPolarHBondContact O-CG 3.23Å; T60-Q64 PolarHBondContact O-N 2.97Å |
| 61 | E | 74.5 | Confident | 69.6 | Low | 149 Ų | 149 | 92.1 Ų | 92.1 | 70% | 0.696 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.9 | -39.4 | 176.3 | -65.5 | -178.4 | 173.5 | 0 | 0 | 111.9 | Q64 T65 | E61-Q64 PolarHBondContact O-N 3.49Å; E61-T65 WeakPolarHBondContact O-CB 3.27Å; E61-T65 PolarHBondContact O-N 3.37Å; E61-T65 PolarHBondContact O-OG1 3.25Å |
| 62 | R | 73.7 | Confident | 71 | Confident | 122 Ų | 122 | 83 Ų | 83 | 46% | 0.46 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 176.6 | -66.3 | -176.7 | -176.5 | 165.1 | 10.2 | 111.3 | E58 T60 T65 M66 | E58-R62 IonicContact OE2-NH2 3.85Å; T60-R62 VanDerWaalsContact C-N 3.29Å; T60-R62 PolarHBondContact O-N 2.88Å; R62-T65 PolarHBondContact O-N 3.28Å; R62-M66 WeakPolarHBondContact O-CG 3.42Å; R62-M66 PolarHBondContact O-N 2.99Å |
| 63 | L | 76.7 | Confident | 72.7 | Confident | 65 Ų | 65 | 81.1 Ų | 81.1 | 34% | 0.34 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.3 | -44.7 | 175.6 | -179.5 | 64.3 | 0 | 0 | 0 | 111 | E49 N59 T60 T65 M66 Q67 | E49-L63 HydrophobicContact CB-CD1 4.06Å; E49-L63 HydrophobicContact CG-CD1 3.72Å; N59-L63 WeakPolarHBondContact O-CB 3.37Å; N59-L63 PolarHBondContact O-N 3.36Å; T60-L63 WeakPolarHBondContact O-CB 3.36Å; T60-L63 PolarHBondContact O-N 3.46Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 PolarHBondContact O-N 3.02Å; L63-M66 PolarHBondContact O-N 3.43Å; L63-Q67 HydrophobicContact CD1-CG 4.42Å; L63-Q67 WeakPolarHBondContact O-CB 3.47Å; L63-Q67 WeakPolarHBondContact O-CG 3.42Å; L63-Q67 PolarHBondContact O-N 3.24Å |
| 64 | Q | 80.7 | Confident | 74.3 | Confident | 129 Ų | 129 | 81.9 Ų | 81.9 | 60% | 0.603 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -60.1 | -44.1 | 175.6 | -72.9 | 179.1 | -0.5 | 0 | 0 | 111.8 | T60 E61 M66 Q67 F68 | T60-Q64 WeakPolarHBondContact O-CG 3.23Å; T60-Q64 PolarHBondContact O-N 2.97Å; E61-Q64 PolarHBondContact O-N 3.49Å; Q64-M66 VanDerWaalsContact C-N 3.35Å; Q64-M66 PolarHBondContact O-N 2.9Å; Q64-Q67 PolarHBondContact O-N 2.85Å; Q64-F68 WeakPolarHBondContact O-CB 3.41Å; Q64-F68 PolarHBondContact O-N 3.17Å |
| 65 | T | 80.2 | Confident | 75.8 | Confident | 55 Ų | 55 | 87.1 Ų | 87.1 | 34% | 0.337 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.9 | -55.1 | 0 | 0 | 0 | 0 | 111 | L29 E61 R62 L63 F68 V69 | L29-T65 HydrophobicContact CD1-CG2 4.05Å; E61-T65 WeakPolarHBondContact O-CB 3.27Å; E61-T65 PolarHBondContact O-N 3.37Å; E61-T65 PolarHBondContact O-OG1 3.25Å; R62-T65 PolarHBondContact O-N 3.28Å; L63-T65 VanDerWaalsContact C-N 3.34Å; L63-T65 PolarHBondContact O-N 3.02Å; T65-F68 PolarHBondContact O-N 2.88Å; T65-V69 WeakPolarHBondContact O-CG2 3.48Å; T65-V69 PolarHBondContact O-N 3.18Å |
| 66 | M | 78.7 | Confident | 77.1 | Confident | 32 Ų | 32 | 87.1 Ų | 87.1 | 16% | 0.158 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.7 | -73.9 | -64 | 137.5 | 0 | 0 | 112.7 | V19 L29 L46 R62 L63 Q64 F68 V69 R70 | V19-M66 HydrophobicContact CG1-CE 4.27Å; L29-M66 HydrophobicContact CD1-CE 3.31Å; L29-M66 HydrophobicContact CD2-CE 3.72Å; L29-M66 HydrophobicContact CD2-SD 4.38Å; L29-M66 HydrophobicContact CG-CE 4.1Å; L46-M66 HydrophobicContact CD2-SD 4.11Å; R62-M66 WeakPolarHBondContact O-CG 3.42Å; R62-M66 PolarHBondContact O-N 2.99Å; L63-M66 PolarHBondContact O-N 3.43Å; Q64-M66 VanDerWaalsContact C-N 3.35Å; Q64-M66 PolarHBondContact O-N 2.9Å; M66-F68 VanDerWaalsContact C-N 3.29Å; M66-F68 PolarHBondContact O-N 2.68Å; M66-V69 PolarHBondContact O-N 2.84Å; M66-R70 WeakPolarHBondContact O-CB 3.43Å; M66-R70 WeakPolarHBondContact O-CG 3.25Å; M66-R70 PolarHBondContact O-N 3.22Å |
| 67 | Q | 83.3 | Confident | 78.6 | Confident | 76 Ų | 76 | 89.7 Ų | 89.7 | 36% | 0.355 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65 | -35.5 | 177 | -73.5 | 177.7 | -11.5 | 0 | 0 | 111.7 | E49 L63 Q64 R71 | E49-Q67 PolarHBondContact OE2-NE2 3.37Å; L63-Q67 HydrophobicContact CD1-CG 4.42Å; L63-Q67 WeakPolarHBondContact O-CB 3.47Å; L63-Q67 WeakPolarHBondContact O-CG 3.42Å; L63-Q67 PolarHBondContact O-N 3.24Å; Q64-Q67 PolarHBondContact O-N 2.85Å; Q67-R71 WeakPolarHBondContact O-CB 3.35Å; Q67-R71 VanDerWaalsContact O-CG 3.31Å; Q67-R71 WeakPolarHBondContact O-CG 3.39Å; Q67-R71 PolarHBondContact O-N 3.12Å; Q67-R71 VanDerWaalsContact O-N 3.09Å; Q67-R71 PolarHBondContact O-NE 2.87Å |
| 68 | F | 84.4 | Confident | 80.1 | Confident | 112 Ų | 112 | 85.2 Ų | 85.2 | 49% | 0.491 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -63.8 | -51.9 | 171.5 | 176.7 | -100.7 | 0 | 0 | 0 | 111.5 | Q64 T65 M66 R70 R71 V72 | Q64-F68 WeakPolarHBondContact O-CB 3.41Å; Q64-F68 PolarHBondContact O-N 3.17Å; T65-F68 PolarHBondContact O-N 2.88Å; M66-F68 VanDerWaalsContact C-N 3.29Å; M66-F68 PolarHBondContact O-N 2.68Å; F68-R70 VanDerWaalsContact C-N 3.33Å; F68-R70 PolarHBondContact O-N 3.34Å; F68-R71 WeakPolarHBondContact O-CB 3.44Å; F68-R71 PolarHBondContact O-N 2.69Å; F68-R71 VanDerWaalsContact O-N 3.11Å; F68-V72 HydrophobicContact CD1-CG2 4.39Å; F68-V72 HydrophobicContact CE1-CG2 3.92Å; F68-V72 HydrophobicContact CE2-CG2 4.14Å; F68-V72 HydrophobicContact CZ-CG2 3.78Å; F68-V72 WeakPolarHBondContact O-CG2 2.89Å; F68-V72 PolarHBondContact O-N 3.33Å |
| 69 | V | 85.1 | Confident | 81.4 | Confident | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.024 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.4 | -43.6 | 179.1 | 172.5 | 0 | 0 | 0 | 0 | 111.2 | L29 I32 V33 T65 M66 R71 V72 L73 | L29-V69 HydrophobicContact CB-CG2 4.21Å; L29-V69 HydrophobicContact CD2-CG1 4.2Å; L29-V69 HydrophobicContact CD2-CG2 4.18Å; I32-V69 HydrophobicContact CG2-CG1 4.41Å; V33-V69 HydrophobicContact CG2-CG1 4.47Å; V33-V69 HydrophobicContact CG2-CG2 4.16Å; T65-V69 WeakPolarHBondContact O-CG2 3.48Å; T65-V69 PolarHBondContact O-N 3.18Å; M66-V69 PolarHBondContact O-N 2.84Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.8Å; V69-V72 PolarHBondContact O-N 2.87Å; V69-L73 HydrophobicContact CG1-CD1 3.87Å; V69-L73 HydrophobicContact CG1-CG 4.22Å; V69-L73 VanDerWaalsContact O-CG 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.17Å; V69-L73 PolarHBondContact O-N 2.75Å |
| 70 | R | 84.5 | Confident | 82.2 | Confident | 16 Ų | 16 | 80.5 Ų | 80.5 | 6% | 0.06 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -58.5 | -43.4 | 175.3 | -78 | 177.3 | 175.3 | -159.5 | -3.3 | 112.2 | L46 P47 E49 M66 F68 L73 Q74 | L46-R70 HydrophobicContact CD1-CG 3.53Å; P47-R70 PolarHBondContact O-NH2 2.8Å; E49-R70 WeakPolarHBondContact OE1-CD 3.34Å; E49-R70 IonicContact OE1-CZ 3.82Å; E49-R70 IonicContact OE1-NE 2.87Å; E49-R70 PolarHBondContact OE1-NE 3.11Å; E49-R70 IonicContact OE1-NH1 2.91Å; E49-R70 PolarHBondContact OE1-NH1 3.33Å; M66-R70 WeakPolarHBondContact O-CB 3.43Å; M66-R70 WeakPolarHBondContact O-CG 3.25Å; M66-R70 PolarHBondContact O-N 3.22Å; F68-R70 VanDerWaalsContact C-N 3.33Å; F68-R70 PolarHBondContact O-N 3.34Å; R70-L73 PolarHBondContact O-N 3.4Å; R70-Q74 WeakPolarHBondContact O-CB 3.37Å; R70-Q74 WeakPolarHBondContact O-CG 3.3Å; R70-Q74 PolarHBondContact O-N 3.15Å |
| 71 | R | 84.6 | Confident | 82.7 | Confident | 157 Ų | 157 | 77.1 Ų | 77.1 | 59% | 0.592 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 176.8 | -78.7 | -175.3 | -72.7 | 170.1 | -4 | 111.9 | Q67 F68 V69 Q74 Y75 | Q67-R71 WeakPolarHBondContact O-CB 3.35Å; Q67-R71 VanDerWaalsContact O-CG 3.31Å; Q67-R71 WeakPolarHBondContact O-CG 3.39Å; Q67-R71 PolarHBondContact O-N 3.12Å; Q67-R71 VanDerWaalsContact O-N 3.09Å; Q67-R71 PolarHBondContact O-NE 2.87Å; F68-R71 WeakPolarHBondContact O-CB 3.44Å; F68-R71 PolarHBondContact O-N 2.69Å; F68-R71 VanDerWaalsContact O-N 3.11Å; V69-R71 VanDerWaalsContact C-N 3.33Å; V69-R71 PolarHBondContact O-N 2.8Å; R71-Q74 PolarHBondContact O-N 2.94Å; R71-Y75 WeakPolarHBondContact O-CB 3.07Å; R71-Y75 PolarHBondContact O-N 3.3Å |
| 72 | V | 85.4 | Confident | 83 | Confident | 32 Ų | 32 | 73.1 Ų | 73.1 | 19% | 0.194 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 176.2 | 175.7 | 0 | 0 | 0 | 0 | 111 | V33 F68 V69 Q74 Y75 E76 | V33-V72 HydrophobicContact CG1-CG1 4.19Å; V33-V72 HydrophobicContact CG2-CG1 4.38Å; F68-V72 HydrophobicContact CD1-CG2 4.39Å; F68-V72 HydrophobicContact CE1-CG2 3.92Å; F68-V72 HydrophobicContact CE2-CG2 4.14Å; F68-V72 HydrophobicContact CZ-CG2 3.78Å; F68-V72 WeakPolarHBondContact O-CG2 2.89Å; F68-V72 PolarHBondContact O-N 3.33Å; V69-V72 PolarHBondContact O-N 2.87Å; V72-Q74 VanDerWaalsContact C-N 3.32Å; V72-Q74 PolarHBondContact O-N 3.25Å; V72-Y75 WeakPolarHBondContact O-CB 3.43Å; V72-Y75 PolarHBondContact O-N 2.67Å; V72-E76 PolarHBondContact O-N 3.19Å |
| 73 | L | 87.2 | Confident | 83.2 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.5 | -38.3 | 178.2 | -67.2 | 176.9 | 0 | 0 | 0 | 112.4 | I32 A36 L42 V44 L46 V69 R70 R77 I78 T80 | I32-L73 HydrophobicContact CG2-CD1 4.16Å; I32-L73 HydrophobicContact CG2-CD2 3.73Å; I32-L73 HydrophobicContact CG2-CG 4.35Å; A36-L73 HydrophobicContact CB-CD2 4.09Å; L42-L73 HydrophobicContact CD2-CD2 4.31Å; V44-L73 HydrophobicContact CB-CD1 3.99Å; V44-L73 HydrophobicContact CG1-CD1 4.14Å; V44-L73 HydrophobicContact CG2-CD1 3.88Å; V44-L73 HydrophobicContact CG2-CD2 4.1Å; L46-L73 HydrophobicContact CD1-CD1 4.02Å; V69-L73 HydrophobicContact CG1-CD1 3.87Å; V69-L73 HydrophobicContact CG1-CG 4.22Å; V69-L73 VanDerWaalsContact O-CG 3.27Å; V69-L73 WeakPolarHBondContact O-CG 3.17Å; V69-L73 PolarHBondContact O-N 2.75Å; R70-L73 PolarHBondContact O-N 3.4Å; L73-R77 PolarHBondContact O-N 2.63Å; L73-R77 VanDerWaalsContact O-N 3.14Å; L73-I78 HydrophobicContact CB-CB 4.35Å; L73-I78 HydrophobicContact CD2-CB 4.01Å; L73-I78 HydrophobicContact CD2-CD1 3.77Å; L73-I78 HydrophobicContact CD2-CG1 4.49Å; L73-I78 HydrophobicContact CD2-CG2 3.95Å; L73-I78 PolarHBondContact O-N 3.13Å; L73-T80 HydrophobicContact CB-CG2 3.94Å; L73-T80 HydrophobicContact CD1-CG2 3.74Å; L73-T80 HydrophobicContact CG-CG2 4.49Å |
| 74 | Q | 86.5 | Confident | 83.4 | Confident | 98 Ų | 98 | 67.9 Ų | 67.9 | 46% | 0.458 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -66.2 | -41.3 | 174.6 | -75.9 | 172.6 | -6.5 | 0 | 0 | 111.8 | R70 R71 V72 R77 | R70-Q74 WeakPolarHBondContact O-CB 3.37Å; R70-Q74 WeakPolarHBondContact O-CG 3.3Å; R70-Q74 PolarHBondContact O-N 3.15Å; R71-Q74 PolarHBondContact O-N 2.94Å; V72-Q74 VanDerWaalsContact C-N 3.32Å; V72-Q74 PolarHBondContact O-N 3.25Å; Q74-R77 PolarHBondContact O-N 3.09Å; Q74-R77 VanDerWaalsContact O-N 3.11Å |
| 75 | Y | 85.2 | Confident | 83.2 | Confident | 187 Ų | 187 | 65.4 Ų | 65.4 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.2 | -46.4 | 177 | -176.1 | -97.6 | 0 | 0 | 0 | 111.5 | R71 V72 R77 | R71-Y75 WeakPolarHBondContact O-CB 3.07Å; R71-Y75 PolarHBondContact O-N 3.3Å; V72-Y75 WeakPolarHBondContact O-CB 3.43Å; V72-Y75 PolarHBondContact O-N 2.67Å; Y75-R77 PolarHBondContact O-N 3.37Å |
| 76 | E | 83.7 | Confident | 83 | Confident | 64 Ų | 64 | 67.1 Ų | 67.1 | 30% | 0.299 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | 4.3 | 175.8 | -63.4 | -57.9 | 153.1 | 0 | 0 | 113.7 | A36 V72 I78 | A36-E76 HydrophobicContact CB-CG 4.35Å; V72-E76 PolarHBondContact O-N 3.19Å; E76-I78 HydrophobicContact CB-CD1 3.82Å; E76-I78 HydrophobicContact CB-CG1 3.98Å; E76-I78 PolarHBondContact O-N 3.21Å |
| 77 | R | 84.3 | Confident | 83.1 | Confident | 231 Ų | 231 | 65.6 Ų | 65.6 | 87% | 0.872 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.6 | 31.6 | -179.4 | -56 | -177.2 | 175.2 | 178.6 | -1.2 | 114.1 | L73 Q74 Y75 | L73-R77 PolarHBondContact O-N 2.63Å; L73-R77 VanDerWaalsContact O-N 3.14Å; Q74-R77 PolarHBondContact O-N 3.09Å; Q74-R77 VanDerWaalsContact O-N 3.11Å; Y75-R77 PolarHBondContact O-N 3.37Å |
| 78 | I | 84.4 | Confident | 83 | Confident | 18 Ų | 18 | 62.3 Ų | 62.3 | 9% | 0.092 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 130.1 | 179.6 | -65.5 | 171.1 | 0 | 0 | 0 | 109.6 | A36 L42 V44 L73 E76 T80 | A36-I78 VanDerWaalsContact CA-CD1 3.44Å; A36-I78 HydrophobicContact CB-CD1 3.15Å; L42-I78 HydrophobicContact CB-CD1 4.43Å; L42-I78 HydrophobicContact CB-CG2 3.97Å; L42-I78 HydrophobicContact CD2-CD1 4.16Å; L42-I78 HydrophobicContact CD2-CG2 4.18Å; L42-I78 HydrophobicContact CG-CG2 4.15Å; L42-I78 WeakPolarHBondContact O-CG2 3.26Å; V44-I78 HydrophobicContact CG2-CG2 4.24Å; L73-I78 HydrophobicContact CB-CB 4.35Å; L73-I78 HydrophobicContact CD2-CB 4.01Å; L73-I78 HydrophobicContact CD2-CD1 3.77Å; L73-I78 HydrophobicContact CD2-CG1 4.49Å; L73-I78 HydrophobicContact CD2-CG2 3.95Å; L73-I78 PolarHBondContact O-N 3.13Å; E76-I78 HydrophobicContact CB-CD1 3.82Å; E76-I78 HydrophobicContact CB-CG1 3.98Å; E76-I78 PolarHBondContact O-N 3.21Å; I78-T80 PolarHBondContact O-N 2.88Å |
| 79 | P | 84.1 | Confident | 82.6 | Confident | 51 Ų | 51 | 58 Ų | 58 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 118.5 | 178.5 | 27.6 | -35.8 | 0 | 0 | 0 | 111.3 | L42 I43 V44 L90 | L42-P79 WeakPolarHBondContact O-CD 3.39Å; L42-P79 WeakPolarHBondContact O-CG 3.38Å; I43-P79 HydrophobicContact CG1-CG 3.88Å; V44-P79 PolarHBondContact N-O 2.92Å; P79-L90 HydrophobicContact CB-CD1 4.16Å |
| 80 | T | 85.4 | Confident | 82.3 | Confident | 20 Ų | 20 | 60.7 Ų | 60.7 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.2 | 170.1 | 61 | 0 | 0 | 0 | 0 | 110.5 | V44 L46 L73 I78 | V44-T80 CarbonylContact O-C 3.55Å; V44-T80 VanDerWaalsContact O-CA 3.3Å; V44-T80 WeakPolarHBondContact O-CA 3.05Å; L46-T80 HydrophobicContact CD1-CG2 4.05Å; L73-T80 HydrophobicContact CB-CG2 3.94Å; L73-T80 HydrophobicContact CD1-CG2 3.74Å; L73-T80 HydrophobicContact CG-CG2 4.49Å; I78-T80 PolarHBondContact O-N 2.88Å |
| 81 | C | 84 | Confident | 82.1 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.014 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.9 | 175.6 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | V44 V45 L46 E86 A87 L90 | V44-C81 PolarHBondContact O-N 2.81Å; V45-C81 CarbonylContact C-O 3.56Å; V45-C81 VanDerWaalsContact CA-O 3.31Å; V45-C81 WeakPolarHBondContact CA-O 3.4Å; V45-C81 HydrophobicContact CG2-CB 4.37Å; L46-C81 PolarHBondContact N-O 3.4Å; C81-E86 HydrophobicContact CB-CB 4.29Å; C81-E86 HydrophobicContact CB-CG 4.26Å; C81-A87 HydrophobicContact CB-CB 3.96Å; C81-A87 VanDerWaalsContact SG-CA 3.59Å; C81-L90 WeakPolarHBondContact SG-CD1 3.47Å |
| 82 | V | 81.9 | Confident | 81.8 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 39% | 0.388 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -89 | -27.3 | 175.7 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | L46 D48 E86 | L46-V82 WeakPolarHBondContact O-CA 3.2Å; D48-V82 HydrophobicContact CB-CG1 3.88Å; V82-E86 PolarHBondContact N-OE2 3.42Å |
| 83 | S | 77.4 | Confident | 81.3 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 32% | 0.315 | 27% | 0.273 | S | S | . | . | S | Bend | trans | -126.8 | 149.8 | -176.4 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | S85 E86 A87 | S83-S85 VanDerWaalsContact C-N 3.26Å; S83-S85 PolarHBondContact O-N 2.86Å; S83-S85 PolarHBondContact OG-OG 2.91Å; S83-S85 VanDerWaalsContact OG-OG 3.12Å; S83-E86 PolarHBondContact O-N 3.39Å; S83-E86 VanDerWaalsContact OG-CB 3.28Å; S83-E86 WeakPolarHBondContact OG-CB 3.27Å; S83-E86 PolarHBondContact OG-N 2.83Å; S83-A87 PolarHBondContact O-N 2.91Å; S83-A87 VanDerWaalsContact O-N 3.16Å |
| 84 | L | 79.8 | Confident | 80.9 | Confident | 32 Ų | 32 | 57.3 Ų | 57.3 | 17% | 0.168 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 173.9 | -177.5 | 65.3 | 0 | 0 | 0 | 111.2 | L16 V18 E86 A87 M88 L234 L239 | L16-L84 HydrophobicContact CD2-CD1 3.95Å; V18-L84 HydrophobicContact CG2-CD1 4.31Å; L84-E86 VanDerWaalsContact C-N 3.31Å; L84-E86 PolarHBondContact O-N 3.5Å; L84-A87 PolarHBondContact O-N 3.22Å; L84-M88 HydrophobicContact CD1-CG 4.31Å; L84-M88 HydrophobicContact CD1-SD 4.46Å; L84-M88 HydrophobicContact CG-CG 4.16Å; L84-M88 WeakPolarHBondContact O-CB 3.29Å; L84-M88 WeakPolarHBondContact O-CG 3.36Å; L84-M88 PolarHBondContact O-N 3.11Å; L84-L234 HydrophobicContact CB-CD2 4.31Å; L84-L234 HydrophobicContact CD2-CD2 3.34Å; L84-L234 HydrophobicContact CG-CD2 4.37Å; L84-L239 HydrophobicContact CD1-CD2 4.38Å; L84-L239 HydrophobicContact CD2-CD2 4Å; L84-L239 HydrophobicContact CD2-CG 4.23Å |
| 85 | S | 76.5 | Confident | 80.4 | Confident | 78 Ų | 78 | 52.7 Ų | 52.7 | 55% | 0.545 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.1 | -38.6 | 179 | 49.4 | 0 | 0 | 0 | 0 | 112.8 | S83 G89 | S83-S85 VanDerWaalsContact C-N 3.26Å; S83-S85 PolarHBondContact O-N 2.86Å; S83-S85 PolarHBondContact OG-OG 2.91Å; S83-S85 VanDerWaalsContact OG-OG 3.12Å; S85-G89 PolarHBondContact O-N 3.32Å; S85-G89 VanDerWaalsContact O-N 3.08Å |
| 86 | E | 76.5 | Confident | 79.9 | Confident | 91 Ų | 91 | 45 Ų | 45 | 43% | 0.425 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66.2 | -46.8 | 173.9 | -175.8 | -179.1 | -162.2 | 0 | 0 | 111.3 | C81 V82 S83 L84 M88 G89 L90 | C81-E86 HydrophobicContact CB-CB 4.29Å; C81-E86 HydrophobicContact CB-CG 4.26Å; V82-E86 PolarHBondContact N-OE2 3.42Å; S83-E86 PolarHBondContact O-N 3.39Å; S83-E86 VanDerWaalsContact OG-CB 3.28Å; S83-E86 WeakPolarHBondContact OG-CB 3.27Å; S83-E86 PolarHBondContact OG-N 2.83Å; L84-E86 VanDerWaalsContact C-N 3.31Å; L84-E86 PolarHBondContact O-N 3.5Å; E86-M88 VanDerWaalsContact C-N 3.31Å; E86-M88 PolarHBondContact O-N 3.23Å; E86-G89 PolarHBondContact O-N 3.28Å; E86-G89 VanDerWaalsContact O-N 3.13Å; E86-L90 PolarHBondContact O-N 3.21Å |
| 87 | A | 81.8 | Confident | 79.5 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L16 I43 V45 C81 S83 L84 G89 L90 I91 | L16-A87 HydrophobicContact CD1-CB 3.96Å; I43-A87 HydrophobicContact CG2-CB 4.07Å; V45-A87 HydrophobicContact CG2-CB 3.55Å; C81-A87 HydrophobicContact CB-CB 3.96Å; C81-A87 VanDerWaalsContact SG-CA 3.59Å; S83-A87 PolarHBondContact O-N 2.91Å; S83-A87 VanDerWaalsContact O-N 3.16Å; L84-A87 PolarHBondContact O-N 3.22Å; A87-G89 VanDerWaalsContact C-N 3.35Å; A87-G89 PolarHBondContact O-N 3.38Å; A87-L90 PolarHBondContact O-N 3.39Å; A87-I91 VanDerWaalsContact O-CG1 3.27Å; A87-I91 WeakPolarHBondContact O-CG1 3.44Å; A87-I91 PolarHBondContact O-N 3.4Å |
| 88 | M | 79.6 | Confident | 79 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.03 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -42.3 | 175.4 | -68.4 | -55.6 | -57.9 | 0 | 0 | 112.1 | L84 E86 L90 I91 E92 L239 L243 | L84-M88 HydrophobicContact CD1-CG 4.31Å; L84-M88 HydrophobicContact CD1-SD 4.46Å; L84-M88 HydrophobicContact CG-CG 4.16Å; L84-M88 WeakPolarHBondContact O-CB 3.29Å; L84-M88 WeakPolarHBondContact O-CG 3.36Å; L84-M88 PolarHBondContact O-N 3.11Å; E86-M88 VanDerWaalsContact C-N 3.31Å; E86-M88 PolarHBondContact O-N 3.23Å; M88-L90 VanDerWaalsContact C-N 3.3Å; M88-L90 PolarHBondContact O-N 3.31Å; M88-I91 PolarHBondContact O-N 3.3Å; M88-I91 HydrophobicContact SD-CD1 4.2Å; M88-E92 WeakPolarHBondContact O-CB 3.47Å; M88-E92 VanDerWaalsContact O-CG 3.28Å; M88-E92 WeakPolarHBondContact O-CG 3.34Å; M88-E92 PolarHBondContact O-N 3.15Å; M88-L239 HydrophobicContact SD-CD2 3.82Å; M88-L243 HydrophobicContact CE-CD1 4.07Å; M88-L243 HydrophobicContact CE-CD2 3.46Å; M88-L243 VanDerWaalsContact CE-CD2 3.46Å; M88-L243 HydrophobicContact CE-CG 3.66Å |
| 89 | G | 76.9 | Confident | 78.4 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.4 | -36.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | S85 E86 A87 S93 | S85-G89 PolarHBondContact O-N 3.32Å; S85-G89 VanDerWaalsContact O-N 3.08Å; E86-G89 PolarHBondContact O-N 3.28Å; E86-G89 VanDerWaalsContact O-N 3.13Å; A87-G89 VanDerWaalsContact C-N 3.35Å; A87-G89 PolarHBondContact O-N 3.38Å; G89-S93 PolarHBondContact O-N 3.3Å; G89-S93 VanDerWaalsContact O-N 3.17Å |
| 90 | L | 77.7 | Confident | 77.9 | Confident | 60 Ų | 60 | 43.7 Ų | 43.7 | 31% | 0.314 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 173.8 | -69.4 | -176.8 | 0 | 0 | 0 | 111.8 | P79 C81 E86 A87 M88 E92 S93 I94 | P79-L90 HydrophobicContact CB-CD1 4.16Å; C81-L90 WeakPolarHBondContact SG-CD1 3.47Å; E86-L90 PolarHBondContact O-N 3.21Å; A87-L90 PolarHBondContact O-N 3.39Å; M88-L90 VanDerWaalsContact C-N 3.3Å; M88-L90 PolarHBondContact O-N 3.31Å; L90-E92 PolarHBondContact O-N 3.48Å; L90-S93 WeakPolarHBondContact O-CB 3.31Å; L90-S93 PolarHBondContact O-N 3.16Å; L90-S93 VanDerWaalsContact O-N 3.09Å; L90-S93 PolarHBondContact O-OG 3.4Å; L90-I94 WeakPolarHBondContact O-CG1 3.35Å; L90-I94 PolarHBondContact O-N 3.41Å |
| 91 | I | 82 | Confident | 77.3 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 177.1 | -67.6 | 164.5 | 0 | 0 | 0 | 110.6 | V14 L16 I43 A87 M88 S93 I94 L95 I224 | V14-I91 HydrophobicContact CG1-CG1 4.19Å; L16-I91 HydrophobicContact CB-CD1 4.22Å; L16-I91 HydrophobicContact CD1-CD1 4.17Å; L16-I91 HydrophobicContact CD2-CD1 3.89Å; L16-I91 HydrophobicContact CG-CD1 4.31Å; I43-I91 HydrophobicContact CD1-CD1 4.32Å; I43-I91 HydrophobicContact CD1-CG1 3.4Å; A87-I91 VanDerWaalsContact O-CG1 3.27Å; A87-I91 WeakPolarHBondContact O-CG1 3.44Å; A87-I91 PolarHBondContact O-N 3.4Å; M88-I91 PolarHBondContact O-N 3.3Å; M88-I91 HydrophobicContact SD-CD1 4.2Å; I91-S93 PolarHBondContact O-N 3.12Å; I91-I94 PolarHBondContact O-N 3.27Å; I91-I94 VanDerWaalsContact O-N 3.12Å; I91-L95 HydrophobicContact CG2-CD1 3.69Å; I91-L95 HydrophobicContact CG2-CG 4.12Å; I91-L95 WeakPolarHBondContact O-CB 3.15Å; I91-L95 WeakPolarHBondContact O-CG 3.49Å; I91-L95 PolarHBondContact O-N 3.16Å; I91-I224 HydrophobicContact CG2-CD1 3.54Å; I91-I224 HydrophobicContact CG2-CG1 3.9Å |
| 92 | E | 78.5 | Confident | 76.8 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 16% | 0.164 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -52.8 | -44.3 | 175 | -76.8 | 168.7 | -173.3 | 0 | 0 | 111 | M88 L90 F96 V113 K116 | M88-E92 WeakPolarHBondContact O-CB 3.47Å; M88-E92 VanDerWaalsContact O-CG 3.28Å; M88-E92 WeakPolarHBondContact O-CG 3.34Å; M88-E92 PolarHBondContact O-N 3.15Å; L90-E92 PolarHBondContact O-N 3.48Å; E92-F96 WeakPolarHBondContact O-CB 3.5Å; E92-F96 PolarHBondContact O-N 3.46Å; E92-V113 HydrophobicContact CB-CG1 4.21Å; E92-K116 IonicContact OE2-NZ 2.68Å; E92-K116 PolarHBondContact OE2-NZ 3.38Å |
| 93 | S | 73.9 | Confident | 76.4 | Confident | 32 Ų | 32 | 57.8 Ų | 57.8 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.9 | -33.9 | -179.7 | 80.3 | 0 | 0 | 0 | 0 | 113.7 | G89 L90 I91 K97 | G89-S93 PolarHBondContact O-N 3.3Å; G89-S93 VanDerWaalsContact O-N 3.17Å; L90-S93 WeakPolarHBondContact O-CB 3.31Å; L90-S93 PolarHBondContact O-N 3.16Å; L90-S93 VanDerWaalsContact O-N 3.09Å; L90-S93 PolarHBondContact O-OG 3.4Å; I91-S93 PolarHBondContact O-N 3.12Å; S93-K97 WeakPolarHBondContact O-CG 3.36Å; S93-K97 PolarHBondContact O-N 3.38Å |
| 94 | I | 77.8 | Confident | 76.1 | Confident | 66 Ų | 66 | 55.8 Ų | 55.8 | 34% | 0.338 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.7 | -49.2 | 177.5 | -68.5 | 162.6 | 0 | 0 | 0 | 109.4 | V14 I43 L90 I91 F96 K97 T98 | V14-I94 HydrophobicContact CG2-CG2 4.17Å; I43-I94 HydrophobicContact CD1-CD1 3.84Å; L90-I94 WeakPolarHBondContact O-CG1 3.35Å; L90-I94 PolarHBondContact O-N 3.41Å; I91-I94 PolarHBondContact O-N 3.27Å; I91-I94 VanDerWaalsContact O-N 3.12Å; I94-F96 VanDerWaalsContact C-N 3.31Å; I94-F96 PolarHBondContact O-N 3.15Å; I94-K97 PolarHBondContact O-N 3.2Å; I94-K97 VanDerWaalsContact O-N 3.15Å; I94-T98 PolarHBondContact O-N 2.76Å |
| 95 | L | 77.6 | Confident | 75.8 | Confident | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 178.2 | -68.9 | 176.5 | 0 | 0 | 0 | 111.5 | I91 K97 T98 R99 W110 D223 I224 V246 | I91-L95 HydrophobicContact CG2-CD1 3.69Å; I91-L95 HydrophobicContact CG2-CG 4.12Å; I91-L95 WeakPolarHBondContact O-CB 3.15Å; I91-L95 WeakPolarHBondContact O-CG 3.49Å; I91-L95 PolarHBondContact O-N 3.16Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 3.18Å; L95-T98 PolarHBondContact O-N 3.4Å; L95-T98 VanDerWaalsContact O-N 3.12Å; L95-T98 PolarHBondContact O-OG1 3.43Å; L95-R99 PolarHBondContact O-N 3.23Å; L95-W110 HydrophobicContact CB-CH2 4.01Å; L95-W110 HydrophobicContact CB-CZ3 4.46Å; L95-D223 HydrophobicContact CD1-CB 4.45Å; L95-D223 HydrophobicContact CD2-CB 4.09Å; L95-I224 HydrophobicContact CD1-CD1 4.2Å; L95-I224 HydrophobicContact CD1-CG1 4.29Å; L95-V246 HydrophobicContact CD1-CG1 3.54Å; L95-V246 HydrophobicContact CD1-CG2 4.49Å |
| 96 | F | 74.6 | Confident | 75.7 | Confident | 26 Ų | 26 | 58.2 Ų | 58.2 | 11% | 0.114 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -56 | -45 | 174.8 | 174.9 | -97.2 | 0 | 0 | 0 | 112.1 | E92 I94 T98 R99 V104 W110 V113 F114 Y117 | E92-F96 WeakPolarHBondContact O-CB 3.5Å; E92-F96 PolarHBondContact O-N 3.46Å; I94-F96 VanDerWaalsContact C-N 3.31Å; I94-F96 PolarHBondContact O-N 3.15Å; F96-T98 PolarHBondContact O-N 2.79Å; F96-R99 PolarHBondContact O-N 2.93Å; F96-V104 HydrophobicContact CD2-CG1 4.26Å; F96-V104 HydrophobicContact CD2-CG2 4.02Å; F96-V104 HydrophobicContact CE2-CB 4.29Å; F96-V104 HydrophobicContact CE2-CG1 3.64Å; F96-V104 HydrophobicContact CE2-CG2 3.76Å; F96-W110 HydrophobicContact CB-CZ3 4.41Å; F96-V113 HydrophobicContact CB-CG1 4.31Å; F96-F114 HydrophobicContact CE1-CD2 4.46Å; F96-F114 HydrophobicContact CE2-CB 4.07Å; F96-F114 AromaticContact CE2-CD2 3.69Å; F96-F114 HydrophobicContact CE2-CD2 3.69Å; F96-F114 HydrophobicContact CE2-CG 4.35Å; F96-F114 AromaticContact CZ-CD2 3.44Å; F96-F114 HydrophobicContact CZ-CD2 3.44Å; F96-F114 VanDerWaalsContact CZ-CD2 3.44Å; F96-F114 HydrophobicContact CZ-CE2 4.05Å; F96-F114 HydrophobicContact CZ-CG 4.48Å; F96-Y117 HydrophobicContact CD1-CD1 4.41Å; F96-Y117 HydrophobicContact CD1-CD2 4.43Å; F96-Y117 HydrophobicContact CD1-CG 4.29Å; F96-Y117 AromaticContact CE1-CD1 3.92Å; F96-Y117 HydrophobicContact CE1-CD1 3.92Å; F96-Y117 HydrophobicContact CE1-CE1 4.14Å; F96-Y117 HydrophobicContact CE1-CG 4.23Å |
| 97 | K | 73.8 | Confident | 75.7 | Confident | 146 Ų | 146 | 57.1 Ų | 57.1 | 64% | 0.635 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.3 | -25.6 | 178.9 | -75.6 | 176 | 179.5 | -176.1 | 0 | 114 | S93 I94 L95 | S93-K97 WeakPolarHBondContact O-CG 3.36Å; S93-K97 PolarHBondContact O-N 3.38Å; I94-K97 PolarHBondContact O-N 3.2Å; I94-K97 VanDerWaalsContact O-N 3.15Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 3.18Å |
| 98 | T | 74.8 | Confident | 75.4 | Confident | 85 Ų | 85 | 62.2 Ų | 62.2 | 52% | 0.521 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -86.6 | -12.9 | 179.3 | 60.8 | 0 | 0 | 0 | 0 | 113.8 | I94 L95 F96 | I94-T98 PolarHBondContact O-N 2.76Å; L95-T98 PolarHBondContact O-N 3.4Å; L95-T98 VanDerWaalsContact O-N 3.12Å; L95-T98 PolarHBondContact O-OG1 3.43Å; F96-T98 PolarHBondContact O-N 2.79Å |
| 99 | R | 71.8 | Confident | 75.1 | Confident | 48 Ų | 48 | 62.9 Ų | 62.9 | 18% | 0.181 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -91.8 | 148.8 | -178.8 | -71.7 | -168.4 | 178.3 | -144.5 | -0 | 111.6 | L95 F96 V104 D223 | L95-R99 PolarHBondContact O-N 3.23Å; F96-R99 PolarHBondContact O-N 2.93Å; R99-V104 HydrophobicContact CB-CG2 4.21Å; R99-D223 IonicContact NH2-OD2 2.69Å; R99-D223 PolarHBondContact NH2-OD2 2.82Å; R99-D223 VanDerWaalsContact NH2-OD2 3.13Å |
| 100 | S | 74.6 | Confident | 74.9 | Confident | 57 Ų | 57 | 62.1 Ų | 62.1 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | trans | -69.4 | 147.2 | 171.6 | 60 | 0 | 0 | 0 | 0 | 111 | E102 N103 V104 | S100-E102 VanDerWaalsContact C-N 3.29Å; S100-E102 PolarHBondContact O-N 2.84Å; S100-N103 PolarHBondContact O-N 3.08Å; S100-N103 PolarHBondContact OG-ND2 3.32Å; S100-N103 VanDerWaalsContact OG-ND2 3.11Å; S100-V104 PolarHBondContact O-N 3.42Å | ||
| 101 | F | 71.6 | Confident | 74.5 | Confident | 136 Ų | 136 | 63.3 Ų | 63.3 | 60% | 0.596 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -59.1 | -40 | -177.3 | -175.5 | -101.3 | 0 | 0 | 0 | 112.5 | N103 V104 V105 F114 | F101-N103 VanDerWaalsContact C-N 3.33Å; F101-N103 PolarHBondContact O-N 3.48Å; F101-V104 WeakPolarHBondContact O-CB 3.47Å; F101-V104 PolarHBondContact O-N 2.88Å; F101-V104 VanDerWaalsContact O-N 3.16Å; F101-V105 HydrophobicContact CD1-CG2 4.2Å; F101-V105 HydrophobicContact CE1-CG2 3.77Å; F101-V105 HydrophobicContact CE2-CG2 4.32Å; F101-V105 HydrophobicContact CZ-CG2 3.84Å; F101-V105 PolarHBondContact O-N 3.42Å; F101-V105 VanDerWaalsContact O-N 3.15Å; F101-F114 HydrophobicContact CE2-CE2 4.2Å; F101-F114 HydrophobicContact CE2-CZ 4.11Å |
| 102 | E | 73.4 | Confident | 74.1 | Confident | 156 Ų | 156 | 68.9 Ų | 68.9 | 73% | 0.729 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -58.7 | -43.1 | 178 | -63.7 | 174.1 | -179.6 | 0 | 0 | 112.2 | S100 V104 V105 S106 | S100-E102 VanDerWaalsContact C-N 3.29Å; S100-E102 PolarHBondContact O-N 2.84Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.42Å; E102-V105 PolarHBondContact O-N 3.2Å; E102-S106 PolarHBondContact O-N 3.42Å; E102-S106 VanDerWaalsContact O-N 3.16Å; E102-S106 PolarHBondContact O-OG 3.49Å |
| 103 | N | 73.8 | Confident | 73.8 | Confident | 89 Ų | 89 | 68.4 Ų | 68.4 | 48% | 0.476 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.9 | -30.8 | 179 | -77.6 | -16.6 | 0 | 0 | 0 | 112.6 | S100 F101 S106 | S100-N103 PolarHBondContact O-N 3.08Å; S100-N103 PolarHBondContact OG-ND2 3.32Å; S100-N103 VanDerWaalsContact OG-ND2 3.11Å; F101-N103 VanDerWaalsContact C-N 3.33Å; F101-N103 PolarHBondContact O-N 3.48Å; N103-S106 PolarHBondContact O-OG 3.04Å |
| 104 | V | 71.2 | Confident | 73.5 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.018 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -69.9 | -46.8 | 177 | 172.7 | 0 | 0 | 0 | 0 | 110.6 | F96 R99 S100 F101 E102 S106 K107 W110 F114 | F96-V104 HydrophobicContact CD2-CG1 4.26Å; F96-V104 HydrophobicContact CD2-CG2 4.02Å; F96-V104 HydrophobicContact CE2-CB 4.29Å; F96-V104 HydrophobicContact CE2-CG1 3.64Å; F96-V104 HydrophobicContact CE2-CG2 3.76Å; R99-V104 HydrophobicContact CB-CG2 4.21Å; S100-V104 PolarHBondContact O-N 3.42Å; F101-V104 WeakPolarHBondContact O-CB 3.47Å; F101-V104 PolarHBondContact O-N 2.88Å; F101-V104 VanDerWaalsContact O-N 3.16Å; E102-V104 VanDerWaalsContact C-N 3.31Å; E102-V104 PolarHBondContact O-N 3.42Å; V104-S106 VanDerWaalsContact C-N 3.31Å; V104-S106 PolarHBondContact O-N 2.94Å; V104-K107 PolarHBondContact O-N 2.87Å; V104-W110 HydrophobicContact CB-CB 4.36Å; V104-W110 HydrophobicContact CG1-CB 3.95Å; V104-W110 WeakPolarHBondContact O-CB 3.35Å; V104-F114 HydrophobicContact CG1-CB 3.94Å; V104-F114 HydrophobicContact CG1-CG 4.44Å |
| 105 | V | 73.9 | Confident | 73.1 | Confident | 79 Ų | 79 | 71.2 Ų | 71.2 | 48% | 0.479 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -68.8 | -33.4 | -175.8 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | F101 E102 K107 | F101-V105 HydrophobicContact CD1-CG2 4.2Å; F101-V105 HydrophobicContact CE1-CG2 3.77Å; F101-V105 HydrophobicContact CE2-CG2 4.32Å; F101-V105 HydrophobicContact CZ-CG2 3.84Å; F101-V105 PolarHBondContact O-N 3.42Å; F101-V105 VanDerWaalsContact O-N 3.15Å; E102-V105 PolarHBondContact O-N 3.2Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 3.22Å |
| 106 | S | 73.9 | Confident | 72.7 | Confident | 82 Ų | 82 | 75.7 Ų | 75.7 | 57% | 0.573 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.5 | -27.1 | -179.9 | 68.5 | 0 | 0 | 0 | 0 | 114.6 | E102 N103 V104 | E102-S106 PolarHBondContact O-N 3.42Å; E102-S106 VanDerWaalsContact O-N 3.16Å; E102-S106 PolarHBondContact O-OG 3.49Å; N103-S106 PolarHBondContact O-OG 3.04Å; V104-S106 VanDerWaalsContact C-N 3.31Å; V104-S106 PolarHBondContact O-N 2.94Å |
| 107 | K | 76.3 | Confident | 72.4 | Confident | 68 Ų | 68 | 77.9 Ų | 77.9 | 30% | 0.296 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -110.1 | 121.7 | -175 | -69 | -172.7 | -177.9 | -175.6 | 0 | 110.6 | V104 V105 A109 W110 L111 P249 | V104-K107 PolarHBondContact O-N 2.87Å; V105-K107 VanDerWaalsContact C-N 3.32Å; V105-K107 PolarHBondContact O-N 3.22Å; K107-A109 VanDerWaalsContact C-N 3.31Å; K107-A109 PolarHBondContact O-N 2.85Å; K107-W110 PolarHBondContact O-N 3.16Å; K107-L111 PolarHBondContact O-N 3.45Å; K107-P249 VanDerWaalsContact NZ-C 3.27Å; K107-P249 PolarHBondContact NZ-O 2.91Å; K107-P249 PolarHBondContact NZ-OXT 3.3Å |
| 108 | P | 75.2 | Confident | 71.8 | Confident | 108 Ų | 108 | 72.9 Ų | 72.9 | 70% | 0.701 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.2 | -30.9 | -173 | 24.7 | -34.5 | 0 | 0 | 0 | 114 | W110 L111 L112 | P108-W110 VanDerWaalsContact C-N 3.29Å; P108-W110 PolarHBondContact O-N 3.32Å; P108-L111 WeakPolarHBondContact O-CB 3.39Å; P108-L111 PolarHBondContact O-N 2.89Å; P108-L112 PolarHBondContact O-N 3.37Å |
| 109 | A | 73.9 | Confident | 71.3 | Confident | 19 Ų | 19 | 74.1 Ų | 74.1 | 16% | 0.157 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | K107 L111 L112 V113 Y245 | K107-A109 VanDerWaalsContact C-N 3.31Å; K107-A109 PolarHBondContact O-N 2.85Å; A109-L111 VanDerWaalsContact C-N 3.35Å; A109-L112 PolarHBondContact O-N 2.86Å; A109-V113 PolarHBondContact O-N 2.9Å; A109-Y245 HydrophobicContact CB-CD1 3.44Å; A109-Y245 VanDerWaalsContact CB-CD1 3.44Å; A109-Y245 HydrophobicContact CB-CD2 3.96Å; A109-Y245 HydrophobicContact CB-CE1 4.02Å; A109-Y245 HydrophobicContact CB-CE2 4.48Å; A109-Y245 HydrophobicContact CB-CG 3.39Å |
| 110 | W | 73 | Confident | 70.9 | Confident | 6 Ų | 6 | 76.2 Ų | 76.2 | 2% | 0.023 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -75.9 | -26.8 | 177 | -72.7 | 100.1 | 0 | 0 | 0 | 112.1 | L95 F96 V104 K107 P108 L112 V113 F114 V246 | L95-W110 HydrophobicContact CB-CH2 4.01Å; L95-W110 HydrophobicContact CB-CZ3 4.46Å; F96-W110 HydrophobicContact CB-CZ3 4.41Å; V104-W110 HydrophobicContact CB-CB 4.36Å; V104-W110 HydrophobicContact CG1-CB 3.95Å; V104-W110 WeakPolarHBondContact O-CB 3.35Å; K107-W110 PolarHBondContact O-N 3.16Å; P108-W110 VanDerWaalsContact C-N 3.29Å; P108-W110 PolarHBondContact O-N 3.32Å; W110-L112 VanDerWaalsContact C-N 3.32Å; W110-L112 PolarHBondContact O-N 3.24Å; W110-V113 HydrophobicContact CE3-CB 4.3Å; W110-V113 HydrophobicContact CE3-CG1 4.39Å; W110-V113 HydrophobicContact CE3-CG2 4.47Å; W110-V113 HydrophobicContact CZ3-CG1 4.46Å; W110-V113 PolarHBondContact O-N 3.4Å; W110-F114 WeakPolarHBondContact O-CB 3.42Å; W110-F114 PolarHBondContact O-N 3.28Å; W110-V246 HydrophobicContact CZ2-CG2 4.39Å |
| 111 | L | 69.8 | Low | 70.3 | Confident | 85 Ų | 85 | 75.3 Ų | 75.3 | 45% | 0.445 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.5 | -39 | 172.3 | -159.9 | 154.1 | 0 | 0 | 0 | 111.4 | K107 P108 A109 F114 L115 | K107-L111 PolarHBondContact O-N 3.45Å; P108-L111 WeakPolarHBondContact O-CB 3.39Å; P108-L111 PolarHBondContact O-N 2.89Å; A109-L111 VanDerWaalsContact C-N 3.35Å; L111-F114 WeakPolarHBondContact O-CB 3.28Å; L111-F114 PolarHBondContact O-N 3.31Å; L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 PolarHBondContact O-N 3.34Å |
| 112 | L | 72.9 | Confident | 69.5 | Low | 119 Ų | 119 | 72.5 Ų | 72.5 | 62% | 0.623 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 173 | -70 | 175.4 | 0 | 0 | 0 | 112.4 | P108 A109 W110 F114 L115 K116 | P108-L112 PolarHBondContact O-N 3.37Å; A109-L112 PolarHBondContact O-N 2.86Å; W110-L112 VanDerWaalsContact C-N 3.32Å; W110-L112 PolarHBondContact O-N 3.24Å; L112-F114 VanDerWaalsContact C-N 3.34Å; L112-L115 PolarHBondContact O-N 3.19Å; L112-K116 VanDerWaalsContact O-CB 3.32Å; L112-K116 WeakPolarHBondContact O-CB 3.05Å; L112-K116 PolarHBondContact O-N 3.16Å |
| 113 | V | 71.5 | Confident | 68.7 | Low | 25 Ų | 25 | 65.5 Ų | 65.5 | 15% | 0.152 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 175.3 | 177.8 | 0 | 0 | 0 | 0 | 110.5 | E92 F96 A109 W110 K116 Y117 | E92-V113 HydrophobicContact CB-CG1 4.21Å; F96-V113 HydrophobicContact CB-CG1 4.31Å; A109-V113 PolarHBondContact O-N 2.9Å; W110-V113 HydrophobicContact CE3-CB 4.3Å; W110-V113 HydrophobicContact CE3-CG1 4.39Å; W110-V113 HydrophobicContact CE3-CG2 4.47Å; W110-V113 HydrophobicContact CZ3-CG1 4.46Å; W110-V113 PolarHBondContact O-N 3.4Å; V113-K116 PolarHBondContact O-N 2.94Å; V113-Y117 VanDerWaalsContact O-CB 3.3Å; V113-Y117 WeakPolarHBondContact O-CB 3.48Å; V113-Y117 PolarHBondContact O-N 3.41Å |
| 114 | F | 69.1 | Low | 67.9 | Low | 66 Ų | 66 | 69.3 Ų | 69.3 | 29% | 0.289 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 175.5 | 178.1 | -111.3 | 0 | 0 | 0 | 111.8 | F96 F101 V104 W110 L111 L112 Y117 C118 | F96-F114 HydrophobicContact CE1-CD2 4.46Å; F96-F114 HydrophobicContact CE2-CB 4.07Å; F96-F114 AromaticContact CE2-CD2 3.69Å; F96-F114 HydrophobicContact CE2-CD2 3.69Å; F96-F114 HydrophobicContact CE2-CG 4.35Å; F96-F114 AromaticContact CZ-CD2 3.44Å; F96-F114 HydrophobicContact CZ-CD2 3.44Å; F96-F114 VanDerWaalsContact CZ-CD2 3.44Å; F96-F114 HydrophobicContact CZ-CE2 4.05Å; F96-F114 HydrophobicContact CZ-CG 4.48Å; F101-F114 HydrophobicContact CE2-CE2 4.2Å; F101-F114 HydrophobicContact CE2-CZ 4.11Å; V104-F114 HydrophobicContact CG1-CB 3.94Å; V104-F114 HydrophobicContact CG1-CG 4.44Å; W110-F114 WeakPolarHBondContact O-CB 3.42Å; W110-F114 PolarHBondContact O-N 3.28Å; L111-F114 WeakPolarHBondContact O-CB 3.28Å; L111-F114 PolarHBondContact O-N 3.31Å; L112-F114 VanDerWaalsContact C-N 3.34Å; F114-Y117 CarbonylContact O-C 3.56Å; F114-Y117 WeakPolarHBondContact O-CB 3.47Å; F114-Y117 PolarHBondContact O-N 2.87Å; F114-C118 VanDerWaalsContact CE2-SG 3.6Å; F114-C118 WeakPolarHBondContact CZ-SG 3.2Å; F114-C118 WeakPolarHBondContact O-CB 3.25Å; F114-C118 PolarHBondContact O-N 2.87Å; F114-C118 PolarHBondContact O-SG 3.06Å |
| 115 | L | 68.4 | Low | 67.1 | Low | 91 Ų | 91 | 71.2 Ų | 71.2 | 48% | 0.476 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.2 | -47.2 | 177 | -176.1 | 71.3 | 0 | 0 | 0 | 110.8 | L111 L112 Y117 C118 I119 | L111-L115 WeakPolarHBondContact O-CB 3.38Å; L111-L115 PolarHBondContact O-N 3.34Å; L112-L115 PolarHBondContact O-N 3.19Å; L115-Y117 VanDerWaalsContact C-N 3.32Å; L115-Y117 PolarHBondContact O-N 2.96Å; L115-C118 WeakPolarHBondContact O-CB 3.3Å; L115-C118 PolarHBondContact O-N 3.12Å; L115-I119 HydrophobicContact CG-CD1 4.01Å; L115-I119 VanDerWaalsContact O-CG1 3.28Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 2.74Å |
| 116 | K | 69.7 | Low | 66.2 | Low | 96 Ų | 96 | 68.8 Ų | 68.8 | 42% | 0.417 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.6 | -44.5 | 175 | -178.8 | -179 | 170.3 | -166.7 | 0 | 111 | E92 L112 V113 I119 L120 | E92-K116 IonicContact OE2-NZ 2.68Å; E92-K116 PolarHBondContact OE2-NZ 3.38Å; L112-K116 VanDerWaalsContact O-CB 3.32Å; L112-K116 WeakPolarHBondContact O-CB 3.05Å; L112-K116 PolarHBondContact O-N 3.16Å; V113-K116 PolarHBondContact O-N 2.94Å; K116-I119 PolarHBondContact O-N 3.13Å; K116-L120 HydrophobicContact CG-CD1 3.95Å; K116-L120 WeakPolarHBondContact O-CB 3.33Å; K116-L120 WeakPolarHBondContact O-CD1 3.49Å; K116-L120 WeakPolarHBondContact O-CG 2.92Å; K116-L120 PolarHBondContact O-N 2.75Å |
| 117 | Y | 68.4 | Low | 65.5 | Low | 72 Ų | 72 | 65.5 Ų | 65.5 | 28% | 0.282 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 175.5 | -177.2 | -95.6 | 0 | 0 | 0 | 112 | F96 V113 F114 L115 L120 T121 | F96-Y117 HydrophobicContact CD1-CD1 4.41Å; F96-Y117 HydrophobicContact CD1-CD2 4.43Å; F96-Y117 HydrophobicContact CD1-CG 4.29Å; F96-Y117 AromaticContact CE1-CD1 3.92Å; F96-Y117 HydrophobicContact CE1-CD1 3.92Å; F96-Y117 HydrophobicContact CE1-CE1 4.14Å; F96-Y117 HydrophobicContact CE1-CG 4.23Å; V113-Y117 VanDerWaalsContact O-CB 3.3Å; V113-Y117 WeakPolarHBondContact O-CB 3.48Å; V113-Y117 PolarHBondContact O-N 3.41Å; F114-Y117 CarbonylContact O-C 3.56Å; F114-Y117 WeakPolarHBondContact O-CB 3.47Å; F114-Y117 PolarHBondContact O-N 2.87Å; L115-Y117 VanDerWaalsContact C-N 3.32Å; L115-Y117 PolarHBondContact O-N 2.96Å; Y117-L120 PolarHBondContact O-N 3.23Å; Y117-T121 WeakPolarHBondContact CE1-OG1 3.24Å; Y117-T121 VanDerWaalsContact O-CB 3.23Å; Y117-T121 WeakPolarHBondContact O-CB 3.32Å; Y117-T121 PolarHBondContact O-N 2.9Å; Y117-T121 PolarHBondContact O-OG1 3.46Å |
| 118 | C | 61.2 | Low | 64.3 | Low | 40 Ų | 40 | 67.3 Ų | 67.3 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.6 | -70.7 | 0 | 0 | 0 | 0 | 111.2 | F114 L115 L120 T121 V122 | F114-C118 VanDerWaalsContact CE2-SG 3.6Å; F114-C118 WeakPolarHBondContact CZ-SG 3.2Å; F114-C118 WeakPolarHBondContact O-CB 3.25Å; F114-C118 PolarHBondContact O-N 2.87Å; F114-C118 PolarHBondContact O-SG 3.06Å; L115-C118 WeakPolarHBondContact O-CB 3.3Å; L115-C118 PolarHBondContact O-N 3.12Å; C118-L120 VanDerWaalsContact C-N 3.32Å; C118-L120 PolarHBondContact O-N 3.27Å; C118-T121 PolarHBondContact O-N 3.42Å; C118-T121 VanDerWaalsContact O-N 3.13Å; C118-V122 WeakPolarHBondContact O-CB 3.37Å; C118-V122 VanDerWaalsContact O-CG2 3.25Å; C118-V122 WeakPolarHBondContact O-CG2 3.24Å; C118-V122 PolarHBondContact O-N 3.21Å |
| 119 | I | 63.3 | Low | 63.3 | Low | 112 Ų | 112 | 64.9 Ų | 64.9 | 57% | 0.574 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -58.9 | -45.1 | 176.2 | -67.4 | 164.2 | 0 | 0 | 0 | 110.5 | L115 K116 G123 | L115-I119 HydrophobicContact CG-CD1 4.01Å; L115-I119 VanDerWaalsContact O-CG1 3.28Å; L115-I119 WeakPolarHBondContact O-CG1 3.3Å; L115-I119 PolarHBondContact O-N 2.74Å; K116-I119 PolarHBondContact O-N 3.13Å; I119-G123 PolarHBondContact O-N 3.36Å |
| 120 | L | 64.4 | Low | 62.4 | Low | 91 Ų | 91 | 67.3 Ų | 67.3 | 48% | 0.476 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.7 | -80.4 | 155.4 | 0 | 0 | 0 | 112.2 | K116 Y117 C118 R124 | K116-L120 HydrophobicContact CG-CD1 3.95Å; K116-L120 WeakPolarHBondContact O-CB 3.33Å; K116-L120 WeakPolarHBondContact O-CD1 3.49Å; K116-L120 WeakPolarHBondContact O-CG 2.92Å; K116-L120 PolarHBondContact O-N 2.75Å; Y117-L120 PolarHBondContact O-N 3.23Å; C118-L120 VanDerWaalsContact C-N 3.32Å; C118-L120 PolarHBondContact O-N 3.27Å; L120-R124 WeakPolarHBondContact O-CB 3.39Å; L120-R124 VanDerWaalsContact O-CG 3.27Å; L120-R124 WeakPolarHBondContact O-CG 3.35Å; L120-R124 PolarHBondContact O-N 3.11Å |
| 121 | T | 62.4 | Low | 61.4 | Low | 38 Ų | 38 | 70.8 Ų | 70.8 | 23% | 0.233 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -74.2 | -44.8 | -178.1 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | Y117 C118 G123 R124 I125 | Y117-T121 WeakPolarHBondContact CE1-OG1 3.24Å; Y117-T121 VanDerWaalsContact O-CB 3.23Å; Y117-T121 WeakPolarHBondContact O-CB 3.32Å; Y117-T121 PolarHBondContact O-N 2.9Å; Y117-T121 PolarHBondContact O-OG1 3.46Å; C118-T121 PolarHBondContact O-N 3.42Å; C118-T121 VanDerWaalsContact O-N 3.13Å; T121-G123 VanDerWaalsContact C-N 3.34Å; T121-R124 CarbonylContact O-C 3.59Å; T121-R124 WeakPolarHBondContact O-CA 3.43Å; T121-R124 WeakPolarHBondContact O-CB 3.47Å; T121-R124 PolarHBondContact O-N 3.14Å; T121-R124 VanDerWaalsContact O-N 3.12Å; T121-I125 HydrophobicContact CG2-CD1 3.85Å; T121-I125 HydrophobicContact CG2-CG1 4.4Å; T121-I125 WeakPolarHBondContact O-CG1 3.46Å; T121-I125 PolarHBondContact O-N 2.82Å |
| 122 | V | 53.8 | Low | 60.6 | Low | 77 Ų | 77 | 71.2 Ų | 71.2 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 172.5 | 172.8 | 0 | 0 | 0 | 0 | 109.7 | C118 R124 I125 C126 | C118-V122 WeakPolarHBondContact O-CB 3.37Å; C118-V122 VanDerWaalsContact O-CG2 3.25Å; C118-V122 WeakPolarHBondContact O-CG2 3.24Å; C118-V122 PolarHBondContact O-N 3.21Å; V122-R124 VanDerWaalsContact C-N 3.26Å; V122-R124 PolarHBondContact O-N 2.96Å; V122-I125 PolarHBondContact O-N 3.21Å; V122-C126 WeakPolarHBondContact O-CB 3.13Å; V122-C126 PolarHBondContact O-N 3.26Å; V122-C126 PolarHBondContact O-SG 2.89Å; V122-C126 VanDerWaalsContact O-SG 3.33Å |
| 123 | G | 57.1 | Low | 59.8 | Low | 9 Ų | 9 | 71.1 Ų | 71.1 | 9% | 0.093 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -56.3 | -40.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I119 T121 S127 | I119-G123 PolarHBondContact O-N 3.36Å; T121-G123 VanDerWaalsContact C-N 3.34Å; G123-S127 WeakPolarHBondContact O-CB 3.48Å; G123-S127 PolarHBondContact O-N 3.47Å; G123-S127 VanDerWaalsContact O-N 3.09Å; G123-S127 PolarHBondContact O-OG 3.09Å |
| 124 | R | 55.7 | Low | 58.9 | Low | 170 Ų | 170 | 76.1 Ų | 76.1 | 64% | 0.642 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -68.5 | -46.3 | 174.2 | -78.5 | 174.6 | 180 | -178.1 | 0.3 | 113.2 | L120 T121 V122 S127 L128 | L120-R124 WeakPolarHBondContact O-CB 3.39Å; L120-R124 VanDerWaalsContact O-CG 3.27Å; L120-R124 WeakPolarHBondContact O-CG 3.35Å; L120-R124 PolarHBondContact O-N 3.11Å; T121-R124 CarbonylContact O-C 3.59Å; T121-R124 WeakPolarHBondContact O-CA 3.43Å; T121-R124 WeakPolarHBondContact O-CB 3.47Å; T121-R124 PolarHBondContact O-N 3.14Å; T121-R124 VanDerWaalsContact O-N 3.12Å; V122-R124 VanDerWaalsContact C-N 3.26Å; V122-R124 PolarHBondContact O-N 2.96Å; R124-S127 WeakPolarHBondContact CA-OG 3.37Å; R124-S127 CarbonylContact O-C 3.56Å; R124-S127 PolarHBondContact O-N 3.21Å; R124-S127 PolarHBondContact O-OG 3.41Å; R124-S127 VanDerWaalsContact O-OG 3.11Å; R124-L128 WeakPolarHBondContact O-CA 3.48Å; R124-L128 WeakPolarHBondContact O-CB 3.3Å; R124-L128 PolarHBondContact O-N 2.87Å |
| 125 | I | 55.1 | Low | 58.1 | Low | 43 Ų | 43 | 78 Ų | 78 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.7 | -50 | -178.3 | -67.5 | 166.5 | 0 | 0 | 0 | 110.3 | T121 V122 S127 L128 P129 L195 | T121-I125 HydrophobicContact CG2-CD1 3.85Å; T121-I125 HydrophobicContact CG2-CG1 4.4Å; T121-I125 WeakPolarHBondContact O-CG1 3.46Å; T121-I125 PolarHBondContact O-N 2.82Å; V122-I125 PolarHBondContact O-N 3.21Å; I125-S127 PolarHBondContact O-N 2.67Å; I125-L128 VanDerWaalsContact O-CB 3.31Å; I125-L128 WeakPolarHBondContact O-CB 3.35Å; I125-L128 PolarHBondContact O-N 3.17Å; I125-L128 VanDerWaalsContact O-N 3.13Å; I125-P129 WeakPolarHBondContact O-CD 3.36Å; I125-L195 HydrophobicContact CD1-CD2 4.4Å |
| 126 | C | 54.2 | Low | 57.5 | Low | 28 Ų | 28 | 78.4 Ų | 78.4 | 19% | 0.189 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.3 | -30.4 | 177.1 | -63.3 | 0 | 0 | 0 | 0 | 112 | V122 L173 | V122-C126 WeakPolarHBondContact O-CB 3.13Å; V122-C126 PolarHBondContact O-N 3.26Å; V122-C126 PolarHBondContact O-SG 2.89Å; V122-C126 VanDerWaalsContact O-SG 3.33Å; C126-L173 HydrophobicContact CB-CD1 4.38Å |
| 127 | S | 59.2 | Low | 56.7 | Low | 13 Ų | 13 | 75.9 Ų | 75.9 | 9% | 0.091 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -87.8 | -12.4 | 176.4 | 68.4 | 0 | 0 | 0 | 0 | 114.4 | G123 R124 I125 V130 N131 | G123-S127 WeakPolarHBondContact O-CB 3.48Å; G123-S127 PolarHBondContact O-N 3.47Å; G123-S127 VanDerWaalsContact O-N 3.09Å; G123-S127 PolarHBondContact O-OG 3.09Å; R124-S127 WeakPolarHBondContact CA-OG 3.37Å; R124-S127 CarbonylContact O-C 3.56Å; R124-S127 PolarHBondContact O-N 3.21Å; R124-S127 PolarHBondContact O-OG 3.41Å; R124-S127 VanDerWaalsContact O-OG 3.11Å; I125-S127 PolarHBondContact O-N 2.67Å; S127-V130 PolarHBondContact O-N 2.95Å; S127-N131 VanDerWaalsContact O-CB 3.3Å; S127-N131 WeakPolarHBondContact O-CB 3.36Å; S127-N131 PolarHBondContact O-N 3.43Å; S127-N131 PolarHBondContact O-ND2 3.44Å; S127-N131 PolarHBondContact OG-ND2 3.47Å |
| 128 | L | 52.5 | Low | 56 | Low | 105 Ų | 105 | 74 Ų | 74 | 55% | 0.55 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -56.8 | -50.3 | -177 | -155.2 | 153.7 | 0 | 0 | 0 | 112 | R124 I125 V130 N131 L132 | R124-L128 WeakPolarHBondContact O-CA 3.48Å; R124-L128 WeakPolarHBondContact O-CB 3.3Å; R124-L128 PolarHBondContact O-N 2.87Å; I125-L128 VanDerWaalsContact O-CB 3.31Å; I125-L128 WeakPolarHBondContact O-CB 3.35Å; I125-L128 PolarHBondContact O-N 3.17Å; I125-L128 VanDerWaalsContact O-N 3.13Å; L128-V130 PolarHBondContact O-N 2.83Å; L128-N131 PolarHBondContact O-N 3.34Å; L128-L132 WeakPolarHBondContact O-CB 3.44Å; L128-L132 PolarHBondContact O-N 3.33Å |
| 129 | P | 53.8 | Low | 55.5 | Low | 58 Ų | 58 | 75.5 Ų | 75.5 | 38% | 0.377 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 177.1 | 22.2 | -31.8 | 0 | 0 | 0 | 112.2 | I125 L132 I133 | I125-P129 WeakPolarHBondContact O-CD 3.36Å; P129-L132 PolarHBondContact O-N 2.81Å; P129-I133 WeakPolarHBondContact O-CD1 3.23Å; P129-I133 VanDerWaalsContact O-CG1 3.26Å; P129-I133 WeakPolarHBondContact O-CG1 3.39Å; P129-I133 PolarHBondContact O-N 2.81Å |
| 130 | V | 54.4 | Low | 55.2 | Low | 69 Ų | 69 | 74.3 Ų | 74.3 | 42% | 0.418 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -68.3 | -40.5 | -179.9 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | S127 L128 F134 K169 | S127-V130 PolarHBondContact O-N 2.95Å; L128-V130 PolarHBondContact O-N 2.83Å; V130-F134 WeakPolarHBondContact O-CB 3.22Å; V130-F134 PolarHBondContact O-N 3.31Å; V130-K169 HydrophobicContact CG1-CD 4.43Å; V130-K169 VanDerWaalsContact CG1-NZ 3.33Å |
| 131 | N | 52.8 | Low | 54.9 | Low | 80 Ų | 80 | 76.9 Ų | 76.9 | 43% | 0.428 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -68.9 | -38 | 175.8 | -70.6 | -19.3 | 0 | 0 | 0 | 110.7 | S127 L128 F134 F135 K169 | S127-N131 VanDerWaalsContact O-CB 3.3Å; S127-N131 WeakPolarHBondContact O-CB 3.36Å; S127-N131 PolarHBondContact O-N 3.43Å; S127-N131 PolarHBondContact O-ND2 3.44Å; S127-N131 PolarHBondContact OG-ND2 3.47Å; L128-N131 PolarHBondContact O-N 3.34Å; N131-F134 PolarHBondContact O-N 2.78Å; N131-F135 WeakPolarHBondContact O-CA 3.33Å; N131-F135 WeakPolarHBondContact O-CB 3.02Å; N131-F135 PolarHBondContact O-N 3.22Å; N131-K169 PolarHBondContact OD1-NZ 3.46Å |
| 132 | L | 52.6 | Low | 54.6 | Low | 94 Ų | 94 | 77.6 Ų | 77.6 | 49% | 0.492 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.7 | -46.6 | 176.6 | -168 | 92.7 | 0 | 0 | 0 | 110.5 | L128 P129 F135 I136 | L128-L132 WeakPolarHBondContact O-CB 3.44Å; L128-L132 PolarHBondContact O-N 3.33Å; P129-L132 PolarHBondContact O-N 2.81Å; L132-F135 PolarHBondContact O-N 3.22Å; L132-I136 HydrophobicContact CD2-CD1 4.06Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 WeakPolarHBondContact O-CB 3.32Å; L132-I136 WeakPolarHBondContact O-CD1 3.27Å; L132-I136 WeakPolarHBondContact O-CG1 3.34Å; L132-I136 PolarHBondContact O-N 2.93Å |
| 133 | I | 56.5 | Low | 55.1 | Low | 116 Ų | 116 | 80.6 Ų | 80.6 | 60% | 0.595 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.3 | -47.9 | 176.3 | -67 | 163.6 | 0 | 0 | 0 | 110.6 | P129 F135 I136 A137 | P129-I133 WeakPolarHBondContact O-CD1 3.23Å; P129-I133 VanDerWaalsContact O-CG1 3.26Å; P129-I133 WeakPolarHBondContact O-CG1 3.39Å; P129-I133 PolarHBondContact O-N 2.81Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 3.34Å; I133-I136 PolarHBondContact O-N 3.11Å; I133-A137 WeakPolarHBondContact O-CB 3.12Å; I133-A137 PolarHBondContact O-N 3.4Å |
| 134 | F | 52.7 | Low | 55.3 | Low | 131 Ų | 131 | 86.4 Ų | 86.4 | 58% | 0.575 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.9 | -39.7 | 178.9 | -170.5 | -109.7 | 0 | 0 | 0 | 112.1 | V130 N131 A137 I138 | V130-F134 WeakPolarHBondContact O-CB 3.22Å; V130-F134 PolarHBondContact O-N 3.31Å; N131-F134 PolarHBondContact O-N 2.78Å; F134-A137 PolarHBondContact O-N 3.44Å; F134-I138 HydrophobicContact CD1-CD1 3.49Å; F134-I138 VanDerWaalsContact CD1-CD1 3.49Å; F134-I138 HydrophobicContact CD1-CG1 4.34Å; F134-I138 HydrophobicContact CE1-CD1 3.09Å; F134-I138 HydrophobicContact CE1-CG1 4.15Å; F134-I138 HydrophobicContact CE2-CD1 4.3Å; F134-I138 HydrophobicContact CG-CD1 4.27Å; F134-I138 HydrophobicContact CZ-CD1 3.55Å; F134-I138 HydrophobicContact CZ-CG1 4.27Å; F134-I138 WeakPolarHBondContact O-CB 3.31Å; F134-I138 VanDerWaalsContact O-CG1 3.29Å; F134-I138 WeakPolarHBondContact O-CG1 3.45Å; F134-I138 PolarHBondContact O-N 2.86Å |
| 135 | F | 52.6 | Low | 55.8 | Low | 105 Ų | 105 | 81.8 Ų | 81.8 | 46% | 0.461 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 176 | -176.4 | -95.4 | 0 | 0 | 0 | 111.4 | N131 L132 I133 A137 I138 H139 | N131-F135 WeakPolarHBondContact O-CA 3.33Å; N131-F135 WeakPolarHBondContact O-CB 3.02Å; N131-F135 PolarHBondContact O-N 3.22Å; L132-F135 PolarHBondContact O-N 3.22Å; I133-F135 VanDerWaalsContact C-N 3.33Å; I133-F135 PolarHBondContact O-N 3.34Å; F135-A137 VanDerWaalsContact C-N 3.34Å; F135-A137 PolarHBondContact O-N 3.03Å; F135-I138 PolarHBondContact O-N 2.94Å; F135-H139 AromaticContact CD1-CD2 3.63Å; F135-H139 AromaticContact CD2-CD2 3.77Å; F135-H139 AromaticContact CD2-NE2 3.89Å; F135-H139 AromaticContact CE1-CD2 3.38Å; F135-H139 WeakPolarHBondContact CE1-CD2 3.29Å; F135-H139 AromaticContact CE1-CE1 3.97Å; F135-H139 AromaticContact CE1-NE2 3.39Å; F135-H139 WeakPolarHBondContact CE1-NE2 3.39Å; F135-H139 AromaticContact CE2-CD2 3.54Å; F135-H139 AromaticContact CE2-NE2 3.17Å; F135-H139 WeakPolarHBondContact CE2-NE2 3.39Å; F135-H139 AromaticContact CG-CD2 3.83Å; F135-H139 AromaticContact CZ-CD2 3.37Å; F135-H139 WeakPolarHBondContact CZ-CD2 3.33Å; F135-H139 AromaticContact CZ-CE1 3.64Å; F135-H139 AromaticContact CZ-NE2 2.89Å; F135-H139 WeakPolarHBondContact CZ-NE2 3.44Å; F135-H139 VanDerWaalsContact O-CB 3.26Å; F135-H139 WeakPolarHBondContact O-CB 3.43Å; F135-H139 PolarHBondContact O-CD2 3.27Å; F135-H139 VanDerWaalsContact O-CD2 3.25Å; F135-H139 PolarHBondContact O-N 3.31Å |
| 136 | I | 55.4 | Low | 56 | Low | 99 Ų | 99 | 80.7 Ų | 80.7 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 174 | -69.3 | 164.2 | 0 | 0 | 0 | 110.3 | L132 I133 H139 A140 | L132-I136 HydrophobicContact CD2-CD1 4.06Å; L132-I136 HydrophobicContact CG-CD1 3.92Å; L132-I136 WeakPolarHBondContact O-CB 3.32Å; L132-I136 WeakPolarHBondContact O-CD1 3.27Å; L132-I136 WeakPolarHBondContact O-CG1 3.34Å; L132-I136 PolarHBondContact O-N 2.93Å; I133-I136 PolarHBondContact O-N 3.11Å; I136-H139 PolarHBondContact O-N 3.17Å; I136-A140 WeakPolarHBondContact O-CB 3.48Å; I136-A140 PolarHBondContact O-N 2.79Å |
| 137 | A | 53.7 | Low | 56.1 | Low | 44 Ų | 44 | 82.5 Ų | 82.5 | 36% | 0.364 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.6 | -44 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I133 F134 F135 A140 L141 | I133-A137 WeakPolarHBondContact O-CB 3.12Å; I133-A137 PolarHBondContact O-N 3.4Å; F134-A137 PolarHBondContact O-N 3.44Å; F135-A137 VanDerWaalsContact C-N 3.34Å; F135-A137 PolarHBondContact O-N 3.03Å; A137-A140 PolarHBondContact O-N 3.27Å; A137-L141 WeakPolarHBondContact O-CB 3.4Å; A137-L141 WeakPolarHBondContact O-CD1 3.44Å; A137-L141 VanDerWaalsContact O-CG 3.29Å; A137-L141 WeakPolarHBondContact O-CG 3.46Å; A137-L141 PolarHBondContact O-N 3.39Å |
| 138 | I | 53.3 | Low | 56 | Low | 31 Ų | 31 | 88.3 Ų | 88.3 | 16% | 0.159 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 173.9 | -76.7 | 178.7 | 0 | 0 | 0 | 110.9 | F134 F135 A140 L141 L142 L150 | F134-I138 HydrophobicContact CD1-CD1 3.49Å; F134-I138 VanDerWaalsContact CD1-CD1 3.49Å; F134-I138 HydrophobicContact CD1-CG1 4.34Å; F134-I138 HydrophobicContact CE1-CD1 3.09Å; F134-I138 HydrophobicContact CE1-CG1 4.15Å; F134-I138 HydrophobicContact CE2-CD1 4.3Å; F134-I138 HydrophobicContact CG-CD1 4.27Å; F134-I138 HydrophobicContact CZ-CD1 3.55Å; F134-I138 HydrophobicContact CZ-CG1 4.27Å; F134-I138 WeakPolarHBondContact O-CB 3.31Å; F134-I138 VanDerWaalsContact O-CG1 3.29Å; F134-I138 WeakPolarHBondContact O-CG1 3.45Å; F134-I138 PolarHBondContact O-N 2.86Å; F135-I138 PolarHBondContact O-N 2.94Å; I138-A140 VanDerWaalsContact C-N 3.26Å; I138-A140 PolarHBondContact O-N 2.83Å; I138-L141 PolarHBondContact O-N 3.27Å; I138-L141 VanDerWaalsContact O-N 3.11Å; I138-L142 HydrophobicContact CB-CD1 4.36Å; I138-L142 HydrophobicContact CG2-CD1 3.71Å; I138-L142 VanDerWaalsContact O-CD1 3.27Å; I138-L142 WeakPolarHBondContact O-CD1 3.28Å; I138-L142 PolarHBondContact O-N 2.96Å; I138-L150 HydrophobicContact CD1-CD2 4.03Å; I138-L150 HydrophobicContact CG2-CD2 3.52Å |
| 139 | H | 50.2 | Low | 56.4 | Low | 73 Ų | 73 | 89.5 Ų | 89.5 | 34% | 0.338 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -29.9 | 179.7 | -93 | -99.8 | 0 | 0 | 0 | 113.1 | F135 I136 R147 | F135-H139 AromaticContact CD1-CD2 3.63Å; F135-H139 AromaticContact CD2-CD2 3.77Å; F135-H139 AromaticContact CD2-NE2 3.89Å; F135-H139 AromaticContact CE1-CD2 3.38Å; F135-H139 WeakPolarHBondContact CE1-CD2 3.29Å; F135-H139 AromaticContact CE1-CE1 3.97Å; F135-H139 AromaticContact CE1-NE2 3.39Å; F135-H139 WeakPolarHBondContact CE1-NE2 3.39Å; F135-H139 AromaticContact CE2-CD2 3.54Å; F135-H139 AromaticContact CE2-NE2 3.17Å; F135-H139 WeakPolarHBondContact CE2-NE2 3.39Å; F135-H139 AromaticContact CG-CD2 3.83Å; F135-H139 AromaticContact CZ-CD2 3.37Å; F135-H139 WeakPolarHBondContact CZ-CD2 3.33Å; F135-H139 AromaticContact CZ-CE1 3.64Å; F135-H139 AromaticContact CZ-NE2 2.89Å; F135-H139 WeakPolarHBondContact CZ-NE2 3.44Å; F135-H139 VanDerWaalsContact O-CB 3.26Å; F135-H139 WeakPolarHBondContact O-CB 3.43Å; F135-H139 PolarHBondContact O-CD2 3.27Å; F135-H139 VanDerWaalsContact O-CD2 3.25Å; F135-H139 PolarHBondContact O-N 3.31Å; I136-H139 PolarHBondContact O-N 3.17Å; H139-R147 WeakPolarHBondContact CE1-CD 3.38Å; H139-R147 WeakPolarHBondContact ND1-CD 3.29Å |
| 140 | A | 57.6 | Low | 56.8 | Low | 86 Ų | 86 | 89 Ų | 89 | 71% | 0.711 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -75 | -26.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | I136 A137 I138 | I136-A140 WeakPolarHBondContact O-CB 3.48Å; I136-A140 PolarHBondContact O-N 2.79Å; A137-A140 PolarHBondContact O-N 3.27Å; I138-A140 VanDerWaalsContact C-N 3.26Å; I138-A140 PolarHBondContact O-N 2.83Å |
| 141 | L | 58 | Low | 57 | Low | 146 Ų | 146 | 91.9 Ų | 91.9 | 76% | 0.764 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -95.5 | -26.8 | -175.8 | -73.9 | 166.1 | 0 | 0 | 0 | 113.9 | A137 I138 | A137-L141 WeakPolarHBondContact O-CB 3.4Å; A137-L141 WeakPolarHBondContact O-CD1 3.44Å; A137-L141 VanDerWaalsContact O-CG 3.29Å; A137-L141 WeakPolarHBondContact O-CG 3.46Å; A137-L141 PolarHBondContact O-N 3.39Å; I138-L141 PolarHBondContact O-N 3.27Å; I138-L141 VanDerWaalsContact O-N 3.11Å |
| 142 | L | 54.8 | Low | 57.2 | Low | 52 Ų | 52 | 92.4 Ų | 92.4 | 27% | 0.272 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -108.8 | 130.1 | -175 | -74.3 | 104 | 0 | 0 | 0 | 113 | I138 R147 L150 | I138-L142 HydrophobicContact CB-CD1 4.36Å; I138-L142 HydrophobicContact CG2-CD1 3.71Å; I138-L142 VanDerWaalsContact O-CD1 3.27Å; I138-L142 WeakPolarHBondContact O-CD1 3.28Å; I138-L142 PolarHBondContact O-N 2.96Å; L142-R147 HydrophobicContact CB-CG 4.07Å; L142-L150 HydrophobicContact CD1-CD2 4.22Å; L142-L150 HydrophobicContact CD2-CB 4.41Å; L142-L150 HydrophobicContact CD2-CD2 4.38Å |
| 143 | D | 64.8 | Low | 57.3 | Low | 140 Ų | 140 | 91.3 Ų | 91.3 | 75% | 0.749 | 48% | 0.477 | S | S | * | . | trans | -67.8 | 162.6 | 169.9 | -148.7 | 3.5 | 0 | 0 | 0 | 111.6 | A145 G146 R147 | D143-A145 VanDerWaalsContact C-N 3.3Å; D143-A145 PolarHBondContact O-N 3.32Å; D143-A145 VanDerWaalsContact O-N 3.15Å; D143-G146 WeakPolarHBondContact O-CA 3.35Å; D143-G146 PolarHBondContact O-N 3.33Å; D143-R147 PolarHBondContact O-N 2.85Å; D143-R147 VanDerWaalsContact O-N 3.08Å | ||
| 144 | E | 61.3 | Low | 57.2 | Low | 132 Ų | 132 | 88.4 Ų | 88.4 | 62% | 0.617 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -56.5 | -38.4 | -165.9 | -165.2 | 142 | -121 | 0 | 0 | 114.5 | R147 | E144-R147 VanDerWaalsContact CD-NH2 3.33Å; E144-R147 IonicContact OE1-NH2 3.13Å; E144-R147 PolarHBondContact OE1-NH2 2.81Å |
| 145 | A | 66.9 | Low | 57.5 | Low | 73 Ų | 73 | 90.3 Ų | 90.3 | 60% | 0.603 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.6 | -37.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | D143 R147 M148 Q149 | D143-A145 VanDerWaalsContact C-N 3.3Å; D143-A145 PolarHBondContact O-N 3.32Å; D143-A145 VanDerWaalsContact O-N 3.15Å; A145-R147 VanDerWaalsContact C-N 3.33Å; A145-M148 PolarHBondContact O-N 3.2Å; A145-Q149 PolarHBondContact O-N 2.91Å |
| 146 | G | 59.4 | Low | 57.3 | Low | 19 Ų | 19 | 86.4 Ų | 86.4 | 20% | 0.196 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D143 Q149 L150 | D143-G146 WeakPolarHBondContact O-CA 3.35Å; D143-G146 PolarHBondContact O-N 3.33Å; G146-Q149 PolarHBondContact O-N 2.91Å; G146-L150 VanDerWaalsContact O-CB 3.3Å; G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 PolarHBondContact O-N 2.91Å |
| 147 | R | 54.9 | Low | 57.3 | Low | 66 Ų | 66 | 87.4 Ų | 87.4 | 25% | 0.249 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 175.4 | -64.1 | -168.5 | -72.9 | -123.2 | 7.6 | 112.1 | H139 L142 D143 E144 A145 Q149 L150 E151 | H139-R147 WeakPolarHBondContact CE1-CD 3.38Å; H139-R147 WeakPolarHBondContact ND1-CD 3.29Å; L142-R147 HydrophobicContact CB-CG 4.07Å; D143-R147 PolarHBondContact O-N 2.85Å; D143-R147 VanDerWaalsContact O-N 3.08Å; E144-R147 VanDerWaalsContact CD-NH2 3.33Å; E144-R147 IonicContact OE1-NH2 3.13Å; E144-R147 PolarHBondContact OE1-NH2 2.81Å; A145-R147 VanDerWaalsContact C-N 3.33Å; R147-Q149 PolarHBondContact O-N 2.61Å; R147-L150 PolarHBondContact O-N 2.98Å; R147-E151 PolarHBondContact O-N 2.8Å |
| 148 | M | 58 | Low | 57.3 | Low | 136 Ų | 136 | 91.5 Ų | 91.5 | 67% | 0.67 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -63.4 | -41.7 | 178.7 | -68 | -65.6 | -71.2 | 0 | 0 | 111.8 | A145 Y152 | A145-M148 PolarHBondContact O-N 3.2Å; M148-Y152 WeakPolarHBondContact O-CB 3.36Å; M148-Y152 PolarHBondContact O-N 2.75Å; M148-Y152 VanDerWaalsContact O-N 3.11Å |
| 149 | Q | 60.8 | Low | 57.3 | Low | 129 Ų | 129 | 93.8 Ų | 93.8 | 60% | 0.603 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.8 | -39.5 | 176.8 | -74 | -176.6 | -9.6 | 0 | 0 | 112.4 | A145 G146 R147 Y152 L153 | A145-Q149 PolarHBondContact O-N 2.91Å; G146-Q149 PolarHBondContact O-N 2.91Å; R147-Q149 PolarHBondContact O-N 2.61Å; Q149-Y152 PolarHBondContact O-N 3.38Å; Q149-L153 WeakPolarHBondContact O-CB 3.28Å; Q149-L153 VanDerWaalsContact O-CG 3.23Å; Q149-L153 WeakPolarHBondContact O-CG 3.49Å; Q149-L153 PolarHBondContact O-N 3.05Å |
| 150 | L | 61.5 | Low | 57.7 | Low | 48 Ų | 48 | 94.7 Ų | 94.7 | 25% | 0.251 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67 | -45.2 | 179.2 | -176.4 | 68.3 | 0 | 0 | 0 | 111.8 | I138 L142 G146 R147 Y152 L153 L154 | I138-L150 HydrophobicContact CD1-CD2 4.03Å; I138-L150 HydrophobicContact CG2-CD2 3.52Å; L142-L150 HydrophobicContact CD1-CD2 4.22Å; L142-L150 HydrophobicContact CD2-CB 4.41Å; L142-L150 HydrophobicContact CD2-CD2 4.38Å; G146-L150 VanDerWaalsContact O-CB 3.3Å; G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 PolarHBondContact O-N 2.91Å; R147-L150 PolarHBondContact O-N 2.98Å; L150-Y152 VanDerWaalsContact C-N 3.26Å; L150-Y152 PolarHBondContact O-N 3.33Å; L150-L153 PolarHBondContact O-N 3.41Å; L150-L154 HydrophobicContact CD1-CD1 4Å; L150-L154 HydrophobicContact CD1-CG 4.08Å; L150-L154 HydrophobicContact CD2-CD1 4.36Å; L150-L154 HydrophobicContact CG-CD1 3.79Å; L150-L154 HydrophobicContact CG-CG 4.27Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 3.3Å |
| 151 | E | 59.2 | Low | 57.7 | Low | 130 Ų | 130 | 96.2 Ų | 96.2 | 61% | 0.607 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -58.3 | -42.1 | 173.7 | -87.1 | -162 | 141.2 | 0 | 0 | 111.3 | R147 R155 | R147-E151 PolarHBondContact O-N 2.8Å; E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 2.96Å |
| 152 | Y | 56.2 | Low | 57.8 | Low | 90 Ų | 90 | 91.3 Ų | 91.3 | 35% | 0.353 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.9 | -48.8 | 176.2 | -175.1 | -98.8 | 0 | 0 | 0 | 112.2 | M148 Q149 L150 R155 Y156 | M148-Y152 WeakPolarHBondContact O-CB 3.36Å; M148-Y152 PolarHBondContact O-N 2.75Å; M148-Y152 VanDerWaalsContact O-N 3.11Å; Q149-Y152 PolarHBondContact O-N 3.38Å; L150-Y152 VanDerWaalsContact C-N 3.26Å; L150-Y152 PolarHBondContact O-N 3.33Å; Y152-R155 PolarHBondContact O-N 3.02Å; Y152-Y156 AromaticContact CD2-CD2 3.63Å; Y152-Y156 HydrophobicContact CD2-CD2 3.63Å; Y152-Y156 AromaticContact CD2-CE2 3.97Å; Y152-Y156 HydrophobicContact CD2-CE2 3.97Å; Y152-Y156 AromaticContact CE2-CD2 3.76Å; Y152-Y156 HydrophobicContact CE2-CD2 3.76Å; Y152-Y156 HydrophobicContact CE2-CE2 4.12Å; Y152-Y156 HydrophobicContact CE2-CG 4.31Å; Y152-Y156 HydrophobicContact CG-CD2 4.25Å; Y152-Y156 WeakPolarHBondContact O-CB 3.43Å; Y152-Y156 WeakPolarHBondContact O-CD2 3.27Å; Y152-Y156 PolarHBondContact O-N 3.22Å |
| 153 | L | 55.1 | Low | 58.2 | Low | 72 Ų | 72 | 94 Ų | 94 | 38% | 0.377 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -64.9 | -44.5 | -178.8 | -75.5 | 171.4 | 0 | 0 | 0 | 112.4 | Q149 L150 R157 Y158 | Q149-L153 WeakPolarHBondContact O-CB 3.28Å; Q149-L153 VanDerWaalsContact O-CG 3.23Å; Q149-L153 WeakPolarHBondContact O-CG 3.49Å; Q149-L153 PolarHBondContact O-N 3.05Å; L150-L153 PolarHBondContact O-N 3.41Å; L153-R157 HydrophobicContact CD2-CB 4.11Å; L153-R157 HydrophobicContact CD2-CG 4.48Å; L153-R157 WeakPolarHBondContact O-CA 3.17Å; L153-R157 VanDerWaalsContact O-CB 3.27Å; L153-R157 WeakPolarHBondContact O-CB 3.42Å; L153-R157 PolarHBondContact O-N 2.86Å; L153-Y158 PolarHBondContact O-N 3.49Å |
| 154 | L | 55.5 | Low | 58.1 | Low | 55 Ų | 55 | 89.7 Ų | 89.7 | 29% | 0.288 | 45% | 0.447 | S | S | . | . | I | π-helix | trans | -62.7 | -49.1 | 177.2 | -76 | 172.7 | 0 | 0 | 0 | 110.2 | L150 F161 I162 | L150-L154 HydrophobicContact CD1-CD1 4Å; L150-L154 HydrophobicContact CD1-CG 4.08Å; L150-L154 HydrophobicContact CD2-CD1 4.36Å; L150-L154 HydrophobicContact CG-CD1 3.79Å; L150-L154 HydrophobicContact CG-CG 4.27Å; L150-L154 VanDerWaalsContact O-CB 3.29Å; L150-L154 WeakPolarHBondContact O-CB 3.48Å; L150-L154 WeakPolarHBondContact O-CG 3.41Å; L150-L154 PolarHBondContact O-N 3.3Å; L154-F161 HydrophobicContact CD2-CD1 4.41Å; L154-I162 HydrophobicContact CB-CD1 4.14Å; L154-I162 HydrophobicContact CD2-CG1 4.4Å; L154-I162 WeakPolarHBondContact O-CD1 3.45Å |
| 155 | R | 58.9 | Low | 58 | Low | 170 Ų | 170 | 86.2 Ų | 86.2 | 64% | 0.642 | 44% | 0.436 | S | S | * | . | I | π-helix | trans | -71 | -36.3 | -173.4 | -163.7 | 171 | -171 | -175.9 | -0.8 | 113.2 | E151 Y152 | E151-R155 WeakPolarHBondContact O-CB 3.46Å; E151-R155 PolarHBondContact O-N 2.96Å; Y152-R155 PolarHBondContact O-N 3.02Å |
| 156 | Y | 48.1 | Very low | 57.7 | Low | 24 Ų | 24 | 89.6 Ų | 89.6 | 9% | 0.094 | 43% | 0.433 | C | S | . | . | I | π-helix | trans | -109.2 | -36.4 | -172.2 | -67.3 | -81.3 | 0 | 0 | 0 | 114.2 | Y152 | Y152-Y156 AromaticContact CD2-CD2 3.63Å; Y152-Y156 HydrophobicContact CD2-CD2 3.63Å; Y152-Y156 AromaticContact CD2-CE2 3.97Å; Y152-Y156 HydrophobicContact CD2-CE2 3.97Å; Y152-Y156 AromaticContact CE2-CD2 3.76Å; Y152-Y156 HydrophobicContact CE2-CD2 3.76Å; Y152-Y156 HydrophobicContact CE2-CE2 4.12Å; Y152-Y156 HydrophobicContact CE2-CG 4.31Å; Y152-Y156 HydrophobicContact CG-CD2 4.25Å; Y152-Y156 WeakPolarHBondContact O-CB 3.43Å; Y152-Y156 WeakPolarHBondContact O-CD2 3.27Å; Y152-Y156 PolarHBondContact O-N 3.22Å |
| 157 | R | 54.4 | Low | 57.8 | Low | 119 Ų | 119 | 92 Ų | 92 | 45% | 0.449 | 44% | 0.444 | S | S | . | . | I | π-helix | trans | -91.5 | -32.9 | -169.4 | -166.1 | 148.8 | 174 | 139.9 | -6.2 | 114.3 | Y50 L153 | Y50-R157 PolarHBondContact OH-NH1 3.29Å; L153-R157 HydrophobicContact CD2-CB 4.11Å; L153-R157 HydrophobicContact CD2-CG 4.48Å; L153-R157 WeakPolarHBondContact O-CA 3.17Å; L153-R157 VanDerWaalsContact O-CB 3.27Å; L153-R157 WeakPolarHBondContact O-CB 3.42Å; L153-R157 PolarHBondContact O-N 2.86Å |
| 158 | Y | 54.1 | Low | 58.1 | Low | 131 Ų | 131 | 91.2 Ų | 91.2 | 51% | 0.514 | 45% | 0.452 | S | S | . | . | trans | -133.4 | 62.8 | -177.2 | -59.5 | -76.7 | 0 | 0 | 0 | 113.8 | L153 S160 F161 I162 | L153-Y158 PolarHBondContact O-N 3.49Å; Y158-S160 PolarHBondContact O-N 3.32Å; Y158-F161 WeakPolarHBondContact O-CB 3.47Å; Y158-F161 PolarHBondContact O-N 2.99Å; Y158-F161 VanDerWaalsContact O-N 3.11Å; Y158-I162 PolarHBondContact O-N 2.84Å; Y158-I162 VanDerWaalsContact O-N 3.17Å | ||
| 159 | P | 53.3 | Low | 58.2 | Low | 78 Ų | 78 | 87 Ų | 87 | 51% | 0.506 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -61.1 | -35.2 | 176.4 | 26.2 | -34.3 | 0 | 0 | 0 | 112.1 | F161 I162 L163 | P159-F161 VanDerWaalsContact C-N 3.33Å; P159-F161 PolarHBondContact O-N 3.46Å; P159-I162 WeakPolarHBondContact O-CB 3.27Å; P159-I162 PolarHBondContact O-N 2.84Å; P159-L163 PolarHBondContact O-N 3.46Å |
| 160 | S | 59.7 | Low | 58.3 | Low | 92 Ų | 92 | 85.8 Ų | 85.8 | 64% | 0.643 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -65.8 | -34.4 | 176.3 | -51.1 | 0 | 0 | 0 | 0 | 112.6 | Y158 L163 A164 | Y158-S160 PolarHBondContact O-N 3.32Å; S160-L163 PolarHBondContact O-N 2.83Å; S160-A164 WeakPolarHBondContact O-CB 3.48Å; S160-A164 PolarHBondContact O-N 3.48Å |
| 161 | F | 57.4 | Low | 58.7 | Low | 118 Ų | 118 | 88.6 Ų | 88.6 | 52% | 0.518 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67 | -41.9 | 174.3 | -178 | -102.7 | 0 | 0 | 0 | 110.6 | L154 Y158 P159 L163 A164 C165 | L154-F161 HydrophobicContact CD2-CD1 4.41Å; Y158-F161 WeakPolarHBondContact O-CB 3.47Å; Y158-F161 PolarHBondContact O-N 2.99Å; Y158-F161 VanDerWaalsContact O-N 3.11Å; P159-F161 VanDerWaalsContact C-N 3.33Å; P159-F161 PolarHBondContact O-N 3.46Å; F161-L163 VanDerWaalsContact C-N 3.28Å; F161-L163 PolarHBondContact O-N 3.33Å; F161-A164 PolarHBondContact O-N 3.13Å; F161-C165 VanDerWaalsContact CE1-SG 3.51Å; F161-C165 VanDerWaalsContact CZ-SG 3.51Å; F161-C165 WeakPolarHBondContact O-CB 3.31Å; F161-C165 PolarHBondContact O-N 3Å; F161-C165 PolarHBondContact O-SG 3.38Å; F161-C165 VanDerWaalsContact O-SG 3.33Å |
| 162 | I | 60.3 | Low | 58.7 | Low | 44 Ų | 44 | 86.5 Ų | 86.5 | 23% | 0.226 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.6 | -44 | 171.9 | -65.6 | 179.1 | 0 | 0 | 0 | 110.5 | L154 Y158 P159 R166 | L154-I162 HydrophobicContact CB-CD1 4.14Å; L154-I162 HydrophobicContact CD2-CG1 4.4Å; L154-I162 WeakPolarHBondContact O-CD1 3.45Å; Y158-I162 PolarHBondContact O-N 2.84Å; Y158-I162 VanDerWaalsContact O-N 3.17Å; P159-I162 WeakPolarHBondContact O-CB 3.27Å; P159-I162 PolarHBondContact O-N 2.84Å; I162-R166 HydrophobicContact CG2-CG 4.37Å; I162-R166 VanDerWaalsContact O-CB 3.31Å; I162-R166 WeakPolarHBondContact O-CB 3.28Å; I162-R166 WeakPolarHBondContact O-CG 3.4Å; I162-R166 PolarHBondContact O-N 3.11Å |
| 163 | L | 61.7 | Low | 59.1 | Low | 108 Ų | 108 | 84.3 Ų | 84.3 | 57% | 0.565 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 178.7 | -172 | 64.7 | 0 | 0 | 0 | 111.5 | P159 S160 F161 R166 T167 | P159-L163 PolarHBondContact O-N 3.46Å; S160-L163 PolarHBondContact O-N 2.83Å; F161-L163 VanDerWaalsContact C-N 3.28Å; F161-L163 PolarHBondContact O-N 3.33Å; L163-R166 CarbonylContact O-C 3.55Å; L163-R166 WeakPolarHBondContact O-CB 3.35Å; L163-R166 PolarHBondContact O-N 3.37Å; L163-T167 WeakPolarHBondContact O-CG2 3.41Å; L163-T167 PolarHBondContact O-N 3.4Å; L163-T167 PolarHBondContact O-OG1 2.91Å |
| 164 | A | 63.8 | Low | 59.8 | Low | 50 Ų | 50 | 85.5 Ų | 85.5 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.3 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S160 F161 R166 T167 A168 | S160-A164 WeakPolarHBondContact O-CB 3.48Å; S160-A164 PolarHBondContact O-N 3.48Å; F161-A164 PolarHBondContact O-N 3.13Å; A164-R166 VanDerWaalsContact C-N 3.28Å; A164-R166 PolarHBondContact O-N 2.89Å; A164-T167 WeakPolarHBondContact CA-OG1 3.43Å; A164-T167 PolarHBondContact O-N 3.18Å; A164-T167 PolarHBondContact O-OG1 2.8Å; A164-A168 VanDerWaalsContact O-CB 3.25Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 2.87Å |
| 165 | C | 58 | Low | 60.4 | Low | 58 Ų | 58 | 86.8 Ų | 86.8 | 39% | 0.392 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -38.1 | 173.1 | -72.5 | 0 | 0 | 0 | 0 | 111.2 | F161 K169 | F161-C165 VanDerWaalsContact CE1-SG 3.51Å; F161-C165 VanDerWaalsContact CZ-SG 3.51Å; F161-C165 WeakPolarHBondContact O-CB 3.31Å; F161-C165 PolarHBondContact O-N 3Å; F161-C165 PolarHBondContact O-SG 3.38Å; F161-C165 VanDerWaalsContact O-SG 3.33Å; C165-K169 WeakPolarHBondContact O-CB 3.48Å; C165-K169 PolarHBondContact O-N 3.23Å |
| 166 | R | 61.6 | Low | 60.5 | Low | 144 Ų | 144 | 81.9 Ų | 81.9 | 54% | 0.543 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.3 | -46.5 | 174.3 | -77.2 | 175 | -176.8 | 174.5 | 5.5 | 111.7 | I162 L163 A164 K169 Y170 | I162-R166 HydrophobicContact CG2-CG 4.37Å; I162-R166 VanDerWaalsContact O-CB 3.31Å; I162-R166 WeakPolarHBondContact O-CB 3.28Å; I162-R166 WeakPolarHBondContact O-CG 3.4Å; I162-R166 PolarHBondContact O-N 3.11Å; L163-R166 CarbonylContact O-C 3.55Å; L163-R166 WeakPolarHBondContact O-CB 3.35Å; L163-R166 PolarHBondContact O-N 3.37Å; A164-R166 VanDerWaalsContact C-N 3.28Å; A164-R166 PolarHBondContact O-N 2.89Å; R166-K169 WeakPolarHBondContact O-CB 3.43Å; R166-K169 PolarHBondContact O-N 3.37Å; R166-Y170 HydrophobicContact CB-CD2 4.4Å; R166-Y170 HydrophobicContact CB-CE2 4.06Å; R166-Y170 WeakPolarHBondContact O-CD2 3.34Å; R166-Y170 PolarHBondContact O-N 3.38Å |
| 167 | T | 62 | Low | 61.4 | Low | 69 Ų | 69 | 84 Ų | 84 | 42% | 0.423 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 179.2 | 50.3 | 0 | 0 | 0 | 0 | 111.4 | L163 A164 K169 Y170 I171 | L163-T167 WeakPolarHBondContact O-CG2 3.41Å; L163-T167 PolarHBondContact O-N 3.4Å; L163-T167 PolarHBondContact O-OG1 2.91Å; A164-T167 WeakPolarHBondContact CA-OG1 3.43Å; A164-T167 PolarHBondContact O-N 3.18Å; A164-T167 PolarHBondContact O-OG1 2.8Å; T167-K169 VanDerWaalsContact C-N 3.28Å; T167-K169 PolarHBondContact O-N 3Å; T167-Y170 PolarHBondContact O-N 3.45Å; T167-Y170 VanDerWaalsContact O-N 3.16Å; T167-I171 VanDerWaalsContact O-CG1 3.3Å; T167-I171 WeakPolarHBondContact O-CG1 3.28Å; T167-I171 PolarHBondContact O-N 2.89Å |
| 168 | A | 60.8 | Low | 62.3 | Low | 51 Ų | 51 | 84.7 Ų | 84.7 | 42% | 0.421 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -54.9 | -46.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | A164 Y170 I171 T172 | A164-A168 VanDerWaalsContact O-CB 3.25Å; A164-A168 WeakPolarHBondContact O-CB 3.37Å; A164-A168 PolarHBondContact O-N 2.87Å; A168-Y170 PolarHBondContact O-N 2.89Å; A168-I171 PolarHBondContact O-N 3.31Å; A168-T172 PolarHBondContact O-N 3.17Å; A168-T172 PolarHBondContact O-OG1 3.09Å |
| 169 | K | 59.7 | Low | 63.3 | Low | 48 Ų | 48 | 87.3 Ų | 87.3 | 21% | 0.209 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 176.4 | 177.5 | 174.5 | 175.4 | 164.2 | 0 | 113.3 | V130 N131 C165 R166 T167 T172 L173 | V130-K169 HydrophobicContact CG1-CD 4.43Å; V130-K169 VanDerWaalsContact CG1-NZ 3.33Å; N131-K169 PolarHBondContact OD1-NZ 3.46Å; C165-K169 WeakPolarHBondContact O-CB 3.48Å; C165-K169 PolarHBondContact O-N 3.23Å; R166-K169 WeakPolarHBondContact O-CB 3.43Å; R166-K169 PolarHBondContact O-N 3.37Å; T167-K169 VanDerWaalsContact C-N 3.28Å; T167-K169 PolarHBondContact O-N 3Å; K169-T172 PolarHBondContact O-N 3.42Å; K169-L173 VanDerWaalsContact O-CB 3.31Å; K169-L173 WeakPolarHBondContact O-CB 3.35Å; K169-L173 PolarHBondContact O-N 2.85Å |
| 170 | Y | 64 | Low | 64.4 | Low | 103 Ų | 103 | 89.4 Ų | 89.4 | 40% | 0.404 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 176.3 | -71.5 | -56.8 | 0 | 0 | 0 | 111.7 | R166 T167 A168 L173 I174 | R166-Y170 HydrophobicContact CB-CD2 4.4Å; R166-Y170 HydrophobicContact CB-CE2 4.06Å; R166-Y170 WeakPolarHBondContact O-CD2 3.34Å; R166-Y170 PolarHBondContact O-N 3.38Å; T167-Y170 PolarHBondContact O-N 3.45Å; T167-Y170 VanDerWaalsContact O-N 3.16Å; A168-Y170 PolarHBondContact O-N 2.89Å; Y170-L173 PolarHBondContact O-N 2.84Å; Y170-I174 WeakPolarHBondContact O-CB 3.43Å; Y170-I174 VanDerWaalsContact O-CG1 3.24Å; Y170-I174 WeakPolarHBondContact O-CG1 3.19Å; Y170-I174 PolarHBondContact O-N 3.35Å |
| 171 | I | 68.2 | Low | 65.2 | Low | 107 Ų | 107 | 88.7 Ų | 88.7 | 55% | 0.549 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 173.5 | -66.7 | 165.4 | 0 | 0 | 0 | 109.8 | T167 A168 L173 I174 V175 | T167-I171 VanDerWaalsContact O-CG1 3.3Å; T167-I171 WeakPolarHBondContact O-CG1 3.28Å; T167-I171 PolarHBondContact O-N 2.89Å; A168-I171 PolarHBondContact O-N 3.31Å; I171-L173 VanDerWaalsContact C-N 3.31Å; I171-L173 PolarHBondContact O-N 2.84Å; I171-I174 PolarHBondContact O-N 3.22Å; I171-V175 HydrophobicContact CG2-CG2 4.5Å; I171-V175 WeakPolarHBondContact O-CG2 3.34Å; I171-V175 PolarHBondContact O-N 3.16Å |
| 172 | T | 60.9 | Low | 66.2 | Low | 85 Ų | 85 | 89.7 Ų | 89.7 | 52% | 0.521 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.7 | -42.2 | 176.5 | -48.3 | 0 | 0 | 0 | 0 | 111.4 | A168 K169 V175 C176 | A168-T172 PolarHBondContact O-N 3.17Å; A168-T172 PolarHBondContact O-OG1 3.09Å; K169-T172 PolarHBondContact O-N 3.42Å; T172-V175 PolarHBondContact O-N 3.13Å; T172-C176 WeakPolarHBondContact O-CB 3.31Å; T172-C176 PolarHBondContact O-N 3.38Å; T172-C176 PolarHBondContact O-SG 3.08Å |
| 173 | L | 63.6 | Low | 66.6 | Low | 44 Ų | 44 | 92.5 Ų | 92.5 | 23% | 0.23 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 177.8 | -172.3 | 138.8 | 0 | 0 | 0 | 111.9 | C126 K169 Y170 I171 C176 L177 F184 | C126-L173 HydrophobicContact CB-CD1 4.38Å; K169-L173 VanDerWaalsContact O-CB 3.31Å; K169-L173 WeakPolarHBondContact O-CB 3.35Å; K169-L173 PolarHBondContact O-N 2.85Å; Y170-L173 PolarHBondContact O-N 2.84Å; I171-L173 VanDerWaalsContact C-N 3.31Å; I171-L173 PolarHBondContact O-N 2.84Å; L173-C176 PolarHBondContact O-N 3.32Å; L173-L177 VanDerWaalsContact O-CB 3.24Å; L173-L177 WeakPolarHBondContact O-CB 3.34Å; L173-L177 PolarHBondContact O-N 2.88Å; L173-F184 HydrophobicContact CD1-CE2 4.27Å; L173-F184 HydrophobicContact CD2-CE2 4.08Å; L173-F184 HydrophobicContact CD2-CZ 4.3Å; L173-F184 HydrophobicContact CG-CE2 4.19Å |
| 174 | I | 69.4 | Low | 66.9 | Low | 97 Ų | 97 | 89.9 Ų | 89.9 | 50% | 0.497 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 173.9 | -72.1 | 165.4 | 0 | 0 | 0 | 110.5 | Y170 I171 C176 L177 L178 | Y170-I174 WeakPolarHBondContact O-CB 3.43Å; Y170-I174 VanDerWaalsContact O-CG1 3.24Å; Y170-I174 WeakPolarHBondContact O-CG1 3.19Å; Y170-I174 PolarHBondContact O-N 3.35Å; I171-I174 PolarHBondContact O-N 3.22Å; I174-C176 PolarHBondContact O-N 3.28Å; I174-L177 PolarHBondContact O-N 3.11Å; I174-L178 HydrophobicContact CG2-CD1 3.79Å; I174-L178 WeakPolarHBondContact O-CB 3.39Å; I174-L178 WeakPolarHBondContact O-CD1 3.18Å; I174-L178 WeakPolarHBondContact O-CG 3.35Å; I174-L178 PolarHBondContact O-N 3.48Å |
| 175 | V | 69.3 | Low | 67.3 | Low | 83 Ų | 83 | 92.7 Ų | 92.7 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 177 | 172.3 | 0 | 0 | 0 | 0 | 111.1 | I171 T172 L178 R179 | I171-V175 HydrophobicContact CG2-CG2 4.5Å; I171-V175 WeakPolarHBondContact O-CG2 3.34Å; I171-V175 PolarHBondContact O-N 3.16Å; T172-V175 PolarHBondContact O-N 3.13Å; V175-L178 PolarHBondContact O-N 3.29Å; V175-R179 WeakPolarHBondContact O-CB 3.01Å; V175-R179 PolarHBondContact O-N 3.5Å |
| 176 | C | 61 | Low | 67.9 | Low | 66 Ų | 66 | 95.8 Ų | 95.8 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 174.9 | -72.2 | 0 | 0 | 0 | 0 | 112.1 | T172 L173 I174 R179 F180 | T172-C176 WeakPolarHBondContact O-CB 3.31Å; T172-C176 PolarHBondContact O-N 3.38Å; T172-C176 PolarHBondContact O-SG 3.08Å; L173-C176 PolarHBondContact O-N 3.32Å; I174-C176 PolarHBondContact O-N 3.28Å; C176-R179 PolarHBondContact O-N 3.36Å; C176-F180 PolarHBondContact O-N 2.92Å |
| 177 | L | 66.8 | Low | 68.3 | Low | 69 Ų | 69 | 92.7 Ų | 92.7 | 36% | 0.361 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.3 | -39.8 | 178.6 | -168.9 | 149.1 | 0 | 0 | 0 | 111.6 | L173 I174 R179 P181 F184 | L173-L177 VanDerWaalsContact O-CB 3.24Å; L173-L177 WeakPolarHBondContact O-CB 3.34Å; L173-L177 PolarHBondContact O-N 2.88Å; I174-L177 PolarHBondContact O-N 3.11Å; L177-R179 VanDerWaalsContact C-N 3.33Å; L177-P181 WeakPolarHBondContact O-CA 3.44Å; L177-F184 HydrophobicContact CD1-CD1 3.56Å; L177-F184 HydrophobicContact CD1-CD2 4.19Å; L177-F184 HydrophobicContact CD1-CE1 3.53Å; L177-F184 HydrophobicContact CD1-CE2 4.17Å; L177-F184 HydrophobicContact CD1-CG 3.9Å; L177-F184 HydrophobicContact CD1-CZ 3.84Å; L177-F184 HydrophobicContact CG-CD1 4.15Å; L177-F184 HydrophobicContact CG-CG 4.15Å |
| 178 | L | 72.8 | Confident | 68.6 | Low | 133 Ų | 133 | 93.4 Ų | 93.4 | 70% | 0.696 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.2 | -36.5 | 172.9 | -79.3 | 156.7 | 0 | 0 | 0 | 112.2 | I174 V175 | I174-L178 HydrophobicContact CG2-CD1 3.79Å; I174-L178 WeakPolarHBondContact O-CB 3.39Å; I174-L178 WeakPolarHBondContact O-CD1 3.18Å; I174-L178 WeakPolarHBondContact O-CG 3.35Å; I174-L178 PolarHBondContact O-N 3.48Å; V175-L178 PolarHBondContact O-N 3.29Å |
| 179 | R | 75.1 | Confident | 69.1 | Low | 187 Ų | 187 | 94.3 Ų | 94.3 | 71% | 0.706 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -83.2 | -31.9 | -175.6 | -164.6 | 167.2 | 175.4 | 95.4 | -2.4 | 113.6 | V175 C176 L177 | V175-R179 WeakPolarHBondContact O-CB 3.01Å; V175-R179 PolarHBondContact O-N 3.5Å; C176-R179 PolarHBondContact O-N 3.36Å; L177-R179 VanDerWaalsContact C-N 3.33Å |
| 180 | F | 77 | Confident | 69.5 | Low | 121 Ų | 121 | 95 Ų | 95 | 53% | 0.531 | 49% | 0.493 | S | S | . | . | trans | -140.3 | 68.4 | -176.8 | -59.3 | -73 | 0 | 0 | 0 | 112.3 | C176 L182 L183 F184 | C176-F180 PolarHBondContact O-N 2.92Å; F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 3.21Å; F180-L183 HydrophobicContact CB-CB 4.12Å; F180-L183 PolarHBondContact O-N 3.2Å; F180-F184 PolarHBondContact O-N 3.43Å | ||
| 181 | P | 76.1 | Confident | 69.5 | Low | 78 Ų | 78 | 91.8 Ų | 91.8 | 51% | 0.506 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -37.3 | -174.3 | 23.4 | -33.8 | 0 | 0 | 0 | 113.1 | L177 F184 L185 | L177-P181 WeakPolarHBondContact O-CA 3.44Å; P181-F184 PolarHBondContact O-N 3.01Å; P181-L185 WeakPolarHBondContact O-CB 3.31Å; P181-L185 PolarHBondContact O-N 2.96Å |
| 182 | L | 77.4 | Confident | 69.3 | Low | 139 Ų | 139 | 91.5 Ų | 91.5 | 73% | 0.728 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | -179.3 | -66.1 | 174.9 | 0 | 0 | 0 | 112.7 | F180 F184 L185 L186 | F180-L182 VanDerWaalsContact C-N 3.32Å; F180-L182 PolarHBondContact O-N 3.21Å; L182-F184 VanDerWaalsContact C-N 3.34Å; L182-L185 PolarHBondContact O-N 2.98Å; L182-L186 PolarHBondContact O-N 2.64Å |
| 183 | L | 70.4 | Confident | 69.6 | Low | 103 Ų | 103 | 89.9 Ų | 89.9 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.7 | -40.4 | 179.7 | -157.8 | 159.8 | 0 | 0 | 0 | 110 | F180 L186 I187 | F180-L183 HydrophobicContact CB-CB 4.12Å; F180-L183 PolarHBondContact O-N 3.2Å; L183-L186 WeakPolarHBondContact O-CB 3.36Å; L183-L186 PolarHBondContact O-N 3.24Å; L183-I187 HydrophobicContact CD2-CD1 3.46Å; L183-I187 VanDerWaalsContact CD2-CD1 3.46Å; L183-I187 HydrophobicContact CD2-CG1 4.07Å; L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3.42Å |
| 184 | F | 66.6 | Low | 69.8 | Low | 52 Ų | 52 | 91.6 Ų | 91.6 | 23% | 0.228 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -63.7 | -42.3 | 173.5 | -166.9 | -91.1 | 0 | 0 | 0 | 112.1 | L173 L177 F180 P181 L182 L186 I187 F188 | L173-F184 HydrophobicContact CD1-CE2 4.27Å; L173-F184 HydrophobicContact CD2-CE2 4.08Å; L173-F184 HydrophobicContact CD2-CZ 4.3Å; L173-F184 HydrophobicContact CG-CE2 4.19Å; L177-F184 HydrophobicContact CD1-CD1 3.56Å; L177-F184 HydrophobicContact CD1-CD2 4.19Å; L177-F184 HydrophobicContact CD1-CE1 3.53Å; L177-F184 HydrophobicContact CD1-CE2 4.17Å; L177-F184 HydrophobicContact CD1-CG 3.9Å; L177-F184 HydrophobicContact CD1-CZ 3.84Å; L177-F184 HydrophobicContact CG-CD1 4.15Å; L177-F184 HydrophobicContact CG-CG 4.15Å; F180-F184 PolarHBondContact O-N 3.43Å; P181-F184 PolarHBondContact O-N 3.01Å; L182-F184 VanDerWaalsContact C-N 3.34Å; F184-L186 VanDerWaalsContact C-N 3.3Å; F184-L186 PolarHBondContact O-N 3.2Å; F184-I187 PolarHBondContact O-N 2.93Å; F184-F188 VanDerWaalsContact O-CB 3.26Å; F184-F188 WeakPolarHBondContact O-CB 3.08Å; F184-F188 PolarHBondContact O-N 3.46Å |
| 185 | L | 72.1 | Confident | 69.2 | Low | 109 Ų | 109 | 89.9 Ų | 89.9 | 57% | 0.571 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 175.7 | -166.6 | 125.9 | 0 | 0 | 0 | 111.7 | P181 L182 F188 C189 | P181-L185 WeakPolarHBondContact O-CB 3.31Å; P181-L185 PolarHBondContact O-N 2.96Å; L182-L185 PolarHBondContact O-N 2.98Å; L185-F188 WeakPolarHBondContact O-CB 3.45Å; L185-F188 PolarHBondContact O-N 3.43Å; L185-C189 WeakPolarHBondContact O-CB 3.23Å; L185-C189 PolarHBondContact O-N 2.8Å; L185-C189 PolarHBondContact O-SG 2.96Å |
| 186 | L | 71.4 | Confident | 69.1 | Low | 123 Ų | 123 | 94.9 Ų | 94.9 | 64% | 0.644 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 174.5 | -114.3 | 160 | 0 | 0 | 0 | 112.8 | L182 L183 F184 F188 C189 S190 | L182-L186 PolarHBondContact O-N 2.64Å; L183-L186 WeakPolarHBondContact O-CB 3.36Å; L183-L186 PolarHBondContact O-N 3.24Å; F184-L186 VanDerWaalsContact C-N 3.3Å; F184-L186 PolarHBondContact O-N 3.2Å; L186-F188 VanDerWaalsContact C-N 3.31Å; L186-C189 PolarHBondContact O-N 2.83Å; L186-S190 WeakPolarHBondContact O-CB 3.25Å; L186-S190 PolarHBondContact O-N 3.29Å; L186-S190 PolarHBondContact O-OG 2.77Å |
| 187 | I | 70.2 | Confident | 69.6 | Low | 80 Ų | 80 | 97.7 Ų | 97.7 | 41% | 0.41 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.7 | -68.1 | 171.9 | 0 | 0 | 0 | 110.3 | L183 F184 S190 S191 | L183-I187 HydrophobicContact CD2-CD1 3.46Å; L183-I187 VanDerWaalsContact CD2-CD1 3.46Å; L183-I187 HydrophobicContact CD2-CG1 4.07Å; L183-I187 WeakPolarHBondContact O-CG1 3.32Å; L183-I187 PolarHBondContact O-N 3.42Å; F184-I187 PolarHBondContact O-N 2.93Å; I187-S190 VanDerWaalsContact CA-OG 3.31Å; I187-S190 WeakPolarHBondContact CA-OG 3.34Å; I187-S190 PolarHBondContact O-N 2.85Å; I187-S190 PolarHBondContact O-OG 2.98Å; I187-S191 WeakPolarHBondContact O-CB 3.44Å; I187-S191 PolarHBondContact O-N 2.76Å; I187-S191 PolarHBondContact O-OG 3.31Å |
| 188 | F | 68.2 | Low | 69.4 | Low | 84 Ų | 84 | 98.1 Ų | 98.1 | 37% | 0.368 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 176.8 | -171.9 | -96.3 | 0 | 0 | 0 | 110.9 | F184 L185 L186 S190 S191 F192 | F184-F188 VanDerWaalsContact O-CB 3.26Å; F184-F188 WeakPolarHBondContact O-CB 3.08Å; F184-F188 PolarHBondContact O-N 3.46Å; L185-F188 WeakPolarHBondContact O-CB 3.45Å; L185-F188 PolarHBondContact O-N 3.43Å; L186-F188 VanDerWaalsContact C-N 3.31Å; F188-S190 PolarHBondContact O-N 3.31Å; F188-S191 PolarHBondContact O-N 2.94Å; F188-S191 PolarHBondContact O-OG 3.34Å; F188-F192 AromaticContact CD1-CD2 3.91Å; F188-F192 HydrophobicContact CD1-CD2 3.91Å; F188-F192 HydrophobicContact CD1-CE2 4.12Å; F188-F192 HydrophobicContact CD2-CD2 4.3Å; F188-F192 HydrophobicContact CD2-CE2 4.09Å; F188-F192 AromaticContact CE1-CD2 3.64Å; F188-F192 HydrophobicContact CE1-CD2 3.64Å; F188-F192 AromaticContact CE1-CE2 3.46Å; F188-F192 HydrophobicContact CE1-CE2 3.46Å; F188-F192 VanDerWaalsContact CE1-CE2 3.46Å; F188-F192 HydrophobicContact CE1-CZ 4.18Å; F188-F192 HydrophobicContact CE2-CD2 4.07Å; F188-F192 AromaticContact CE2-CE2 3.43Å; F188-F192 HydrophobicContact CE2-CE2 3.43Å; F188-F192 VanDerWaalsContact CE2-CE2 3.43Å; F188-F192 HydrophobicContact CE2-CZ 4.37Å; F188-F192 HydrophobicContact CG-CD2 4.24Å; F188-F192 HydrophobicContact CG-CE2 4.41Å; F188-F192 AromaticContact CZ-CD2 3.75Å; F188-F192 HydrophobicContact CZ-CD2 3.75Å; F188-F192 AromaticContact CZ-CE2 3.08Å; F188-F192 HydrophobicContact CZ-CE2 3.08Å; F188-F192 AromaticContact CZ-CZ 3.75Å; F188-F192 HydrophobicContact CZ-CZ 3.75Å; F188-F192 WeakPolarHBondContact O-CD2 3.31Å; F188-F192 PolarHBondContact O-N 3.12Å |
| 189 | C | 72.1 | Confident | 68.6 | Low | 70 Ų | 70 | 95.4 Ų | 95.4 | 47% | 0.473 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 176.1 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | L185 L186 F192 A193 | L185-C189 WeakPolarHBondContact O-CB 3.23Å; L185-C189 PolarHBondContact O-N 2.8Å; L185-C189 PolarHBondContact O-SG 2.96Å; L186-C189 PolarHBondContact O-N 2.83Å; C189-F192 PolarHBondContact O-N 3.16Å; C189-A193 WeakPolarHBondContact O-CB 3.3Å; C189-A193 PolarHBondContact O-N 2.79Å |
| 190 | S | 68 | Low | 68 | Low | 62 Ų | 62 | 90.2 Ų | 90.2 | 43% | 0.434 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 178.1 | 55 | 0 | 0 | 0 | 0 | 112.4 | L186 I187 F188 F192 A193 V194 | L186-S190 WeakPolarHBondContact O-CB 3.25Å; L186-S190 PolarHBondContact O-N 3.29Å; L186-S190 PolarHBondContact O-OG 2.77Å; I187-S190 VanDerWaalsContact CA-OG 3.31Å; I187-S190 WeakPolarHBondContact CA-OG 3.34Å; I187-S190 PolarHBondContact O-N 2.85Å; I187-S190 PolarHBondContact O-OG 2.98Å; F188-S190 PolarHBondContact O-N 3.31Å; S190-F192 VanDerWaalsContact C-N 3.34Å; S190-F192 PolarHBondContact O-N 2.89Å; S190-A193 PolarHBondContact O-N 2.87Å; S190-V194 WeakPolarHBondContact O-CG2 3.49Å; S190-V194 PolarHBondContact O-N 2.9Å |
| 191 | S | 63.6 | Low | 67.1 | Low | 35 Ų | 35 | 86.9 Ų | 86.9 | 25% | 0.245 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 174.5 | 68.4 | 0 | 0 | 0 | 0 | 112.8 | I187 F188 V194 L195 | I187-S191 WeakPolarHBondContact O-CB 3.44Å; I187-S191 PolarHBondContact O-N 2.76Å; I187-S191 PolarHBondContact O-OG 3.31Å; F188-S191 PolarHBondContact O-N 2.94Å; F188-S191 PolarHBondContact O-OG 3.34Å; S191-V194 PolarHBondContact O-N 3.45Å; S191-L195 WeakPolarHBondContact O-CB 3.47Å; S191-L195 PolarHBondContact O-N 2.87Å |
| 192 | F | 62.8 | Low | 65.7 | Low | 101 Ų | 101 | 87.8 Ų | 87.8 | 44% | 0.443 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.3 | -38.9 | 173.1 | -96 | -95.3 | 0 | 0 | 0 | 112.5 | F188 C189 S190 L195 Y196 | F188-F192 AromaticContact CD1-CD2 3.91Å; F188-F192 HydrophobicContact CD1-CD2 3.91Å; F188-F192 HydrophobicContact CD1-CE2 4.12Å; F188-F192 HydrophobicContact CD2-CD2 4.3Å; F188-F192 HydrophobicContact CD2-CE2 4.09Å; F188-F192 AromaticContact CE1-CD2 3.64Å; F188-F192 HydrophobicContact CE1-CD2 3.64Å; F188-F192 AromaticContact CE1-CE2 3.46Å; F188-F192 HydrophobicContact CE1-CE2 3.46Å; F188-F192 VanDerWaalsContact CE1-CE2 3.46Å; F188-F192 HydrophobicContact CE1-CZ 4.18Å; F188-F192 HydrophobicContact CE2-CD2 4.07Å; F188-F192 AromaticContact CE2-CE2 3.43Å; F188-F192 HydrophobicContact CE2-CE2 3.43Å; F188-F192 VanDerWaalsContact CE2-CE2 3.43Å; F188-F192 HydrophobicContact CE2-CZ 4.37Å; F188-F192 HydrophobicContact CG-CD2 4.24Å; F188-F192 HydrophobicContact CG-CE2 4.41Å; F188-F192 AromaticContact CZ-CD2 3.75Å; F188-F192 HydrophobicContact CZ-CD2 3.75Å; F188-F192 AromaticContact CZ-CE2 3.08Å; F188-F192 HydrophobicContact CZ-CE2 3.08Å; F188-F192 AromaticContact CZ-CZ 3.75Å; F188-F192 HydrophobicContact CZ-CZ 3.75Å; F188-F192 WeakPolarHBondContact O-CD2 3.31Å; F188-F192 PolarHBondContact O-N 3.12Å; C189-F192 PolarHBondContact O-N 3.16Å; S190-F192 VanDerWaalsContact C-N 3.34Å; S190-F192 PolarHBondContact O-N 2.89Å; F192-L195 PolarHBondContact O-N 3.48Å; F192-Y196 VanDerWaalsContact O-CB 3.31Å; F192-Y196 WeakPolarHBondContact O-CB 3.33Å; F192-Y196 PolarHBondContact O-N 3.21Å |
| 193 | A | 68.6 | Low | 64.5 | Low | 52 Ų | 52 | 87.7 Ų | 87.7 | 43% | 0.43 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | C189 S190 Y196 I197 | C189-A193 WeakPolarHBondContact O-CB 3.3Å; C189-A193 PolarHBondContact O-N 2.79Å; S190-A193 PolarHBondContact O-N 2.87Å; A193-Y196 PolarHBondContact O-N 2.84Å; A193-I197 VanDerWaalsContact O-CG1 3.31Å; A193-I197 WeakPolarHBondContact O-CG1 3.21Å; A193-I197 PolarHBondContact O-N 2.93Å |
| 194 | V | 66.7 | Low | 64.1 | Low | 80 Ų | 80 | 85.9 Ų | 85.9 | 49% | 0.485 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 174.4 | 172.4 | 0 | 0 | 0 | 0 | 111 | S190 S191 Y196 I197 I198 | S190-V194 WeakPolarHBondContact O-CG2 3.49Å; S190-V194 PolarHBondContact O-N 2.9Å; S191-V194 PolarHBondContact O-N 3.45Å; V194-Y196 VanDerWaalsContact C-N 3.33Å; V194-Y196 PolarHBondContact O-N 3.35Å; V194-I197 PolarHBondContact O-N 3.45Å; V194-I198 HydrophobicContact CG1-CD1 3.54Å; V194-I198 HydrophobicContact CG1-CG1 4.31Å; V194-I198 WeakPolarHBondContact O-CB 3.2Å; V194-I198 VanDerWaalsContact O-CG1 3.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.48Å; V194-I198 PolarHBondContact O-N 2.88Å |
| 195 | L | 57.8 | Low | 63.2 | Low | 61 Ų | 61 | 88.3 Ų | 88.3 | 32% | 0.319 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.2 | -40.2 | 177.5 | -174.7 | 66.3 | 0 | 0 | 0 | 111.9 | I125 S191 F192 I197 I198 L199 | I125-L195 HydrophobicContact CD1-CD2 4.4Å; S191-L195 WeakPolarHBondContact O-CB 3.47Å; S191-L195 PolarHBondContact O-N 2.87Å; F192-L195 PolarHBondContact O-N 3.48Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3.39Å; L195-I198 PolarHBondContact O-N 3.25Å; L195-L199 HydrophobicContact CD1-CD1 3.84Å; L195-L199 HydrophobicContact CD2-CD1 4.3Å; L195-L199 HydrophobicContact CG-CD1 3.66Å; L195-L199 WeakPolarHBondContact O-CB 3.43Å; L195-L199 PolarHBondContact O-N 3.4Å |
| 196 | Y | 67.4 | Low | 62 | Low | 188 Ų | 188 | 86 Ų | 86 | 74% | 0.737 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -63 | -37.3 | 176.2 | -177.7 | -95.1 | 0 | 0 | 0 | 112.1 | F192 A193 V194 P200 | F192-Y196 VanDerWaalsContact O-CB 3.31Å; F192-Y196 WeakPolarHBondContact O-CB 3.33Å; F192-Y196 PolarHBondContact O-N 3.21Å; A193-Y196 PolarHBondContact O-N 2.84Å; V194-Y196 VanDerWaalsContact C-N 3.33Å; V194-Y196 PolarHBondContact O-N 3.35Å; Y196-P200 WeakPolarHBondContact O-CD 3.43Å |
| 197 | I | 71.3 | Confident | 61 | Low | 124 Ų | 124 | 82.8 Ų | 82.8 | 64% | 0.636 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -72.1 | -38.6 | 175.2 | -65.3 | 165.2 | 0 | 0 | 0 | 111.4 | A193 V194 L195 P200 | A193-I197 VanDerWaalsContact O-CG1 3.31Å; A193-I197 WeakPolarHBondContact O-CG1 3.21Å; A193-I197 PolarHBondContact O-N 2.93Å; V194-I197 PolarHBondContact O-N 3.45Å; L195-I197 VanDerWaalsContact C-N 3.32Å; L195-I197 PolarHBondContact O-N 3.39Å; I197-P200 WeakPolarHBondContact O-CD 3.49Å |
| 198 | I | 61.6 | Low | 59.9 | Low | 79 Ų | 79 | 85.1 Ų | 85.1 | 41% | 0.405 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -77.3 | -32.5 | -177.7 | -67.2 | 172.6 | 0 | 0 | 0 | 112.1 | V194 L195 A201 L202 | V194-I198 HydrophobicContact CG1-CD1 3.54Å; V194-I198 HydrophobicContact CG1-CG1 4.31Å; V194-I198 WeakPolarHBondContact O-CB 3.2Å; V194-I198 VanDerWaalsContact O-CG1 3.28Å; V194-I198 WeakPolarHBondContact O-CG1 3.48Å; V194-I198 PolarHBondContact O-N 2.88Å; L195-I198 PolarHBondContact O-N 3.25Å; I198-A201 WeakPolarHBondContact O-CB 3.48Å; I198-A201 PolarHBondContact O-N 3.37Å; I198-L202 HydrophobicContact CG2-CD1 3.71Å; I198-L202 HydrophobicContact CG2-CG 3.81Å; I198-L202 PolarHBondContact O-N 2.94Å |
| 199 | L | 57.2 | Low | 58.5 | Low | 75 Ų | 75 | 88.8 Ų | 88.8 | 39% | 0.393 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56 | -45.2 | -175.6 | -124.3 | 108.9 | 0 | 0 | 0 | 114 | L195 A201 L202 K203 | L195-L199 HydrophobicContact CD1-CD1 3.84Å; L195-L199 HydrophobicContact CD2-CD1 4.3Å; L195-L199 HydrophobicContact CG-CD1 3.66Å; L195-L199 WeakPolarHBondContact O-CB 3.43Å; L195-L199 PolarHBondContact O-N 3.4Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.69Å; L199-L202 PolarHBondContact O-N 3.12Å; L199-K203 WeakPolarHBondContact O-CB 3.37Å; L199-K203 WeakPolarHBondContact O-CG 3.42Å; L199-K203 PolarHBondContact O-N 2.99Å |
| 200 | P | 61.4 | Low | 56.9 | Low | 79 Ų | 79 | 89.8 Ų | 89.8 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.8 | -41.9 | 173.5 | -24.2 | 32.3 | 0 | 0 | 0 | 112.6 | Y196 I197 K203 S204 | Y196-P200 WeakPolarHBondContact O-CD 3.43Å; I197-P200 WeakPolarHBondContact O-CD 3.49Å; P200-K203 PolarHBondContact O-N 3.41Å; P200-S204 PolarHBondContact O-N 3.06Å |
| 201 | A | 58.6 | Low | 55.6 | Low | 51 Ų | 51 | 92.1 Ų | 92.1 | 42% | 0.421 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | I198 L199 S204 L205 | I198-A201 WeakPolarHBondContact O-CB 3.48Å; I198-A201 PolarHBondContact O-N 3.37Å; L199-A201 VanDerWaalsContact C-N 3.32Å; L199-A201 PolarHBondContact O-N 2.69Å; A201-S204 PolarHBondContact O-OG 3.41Å; A201-L205 WeakPolarHBondContact O-CG 3.32Å; A201-L205 PolarHBondContact O-N 3.46Å; A201-L205 VanDerWaalsContact O-N 3.17Å |
| 202 | L | 46.8 | Very low | 54.2 | Low | 96 Ų | 96 | 95.7 Ų | 95.7 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.1 | -37.4 | 172.5 | -72.3 | 175.1 | 0 | 0 | 0 | 111.9 | I198 L199 L205 S206 | I198-L202 HydrophobicContact CG2-CD1 3.71Å; I198-L202 HydrophobicContact CG2-CG 3.81Å; I198-L202 PolarHBondContact O-N 2.94Å; L199-L202 PolarHBondContact O-N 3.12Å; L202-L205 PolarHBondContact O-N 2.56Å; L202-S206 WeakPolarHBondContact O-CB 3.26Å; L202-S206 PolarHBondContact O-N 2.99Å; L202-S206 PolarHBondContact O-OG 3.18Å |
| 203 | K | 52.3 | Low | 52.8 | Low | 138 Ų | 138 | 99.8 Ų | 99.8 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -62.4 | -44.6 | 174.9 | -82.9 | -175.5 | 176.7 | -178 | 0 | 111.1 | L199 P200 L205 S206 A207 | L199-K203 WeakPolarHBondContact O-CB 3.37Å; L199-K203 WeakPolarHBondContact O-CG 3.42Å; L199-K203 PolarHBondContact O-N 2.99Å; P200-K203 PolarHBondContact O-N 3.41Å; K203-L205 PolarHBondContact O-N 3.43Å; K203-S206 WeakPolarHBondContact CA-OG 3.39Å; K203-S206 PolarHBondContact O-N 3.25Å; K203-S206 PolarHBondContact O-OG 3.03Å; K203-A207 WeakPolarHBondContact O-CB 3.36Å; K203-A207 PolarHBondContact O-N 2.68Å |
| 204 | S | 61.4 | Low | 50.8 | Low | 65 Ų | 65 | 101.4 Ų | 101.4 | 46% | 0.455 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.5 | -41.5 | 176.9 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | P200 A201 A207 M208 | P200-S204 PolarHBondContact O-N 3.06Å; A201-S204 PolarHBondContact O-OG 3.41Å; S204-A207 PolarHBondContact O-N 3.36Å; S204-M208 PolarHBondContact O-N 2.94Å |
| 205 | L | 48 | Very low | 49.1 | Very low | 103 Ų | 103 | 106 Ų | 106 | 54% | 0.539 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.1 | -41.2 | 174.2 | -74 | 166.6 | 0 | 0 | 0 | 112.2 | A201 L202 K203 M208 K209 | A201-L205 WeakPolarHBondContact O-CG 3.32Å; A201-L205 PolarHBondContact O-N 3.46Å; A201-L205 VanDerWaalsContact O-N 3.17Å; L202-L205 PolarHBondContact O-N 2.56Å; K203-L205 PolarHBondContact O-N 3.43Å; L205-M208 HydrophobicContact CD2-CE 4.05Å; L205-M208 PolarHBondContact O-N 3.5Å; L205-K209 PolarHBondContact O-N 3.21Å |
| 206 | S | 47.4 | Very low | 47.7 | Very low | 61 Ų | 61 | 108.5 Ų | 108.5 | 43% | 0.427 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -68.2 | -37.3 | 177.8 | 71.4 | 0 | 0 | 0 | 0 | 112.3 | L202 K203 M208 K209 T210 | L202-S206 WeakPolarHBondContact O-CB 3.26Å; L202-S206 PolarHBondContact O-N 2.99Å; L202-S206 PolarHBondContact O-OG 3.18Å; K203-S206 WeakPolarHBondContact CA-OG 3.39Å; K203-S206 PolarHBondContact O-N 3.25Å; K203-S206 PolarHBondContact O-OG 3.03Å; S206-M208 VanDerWaalsContact C-N 3.3Å; S206-M208 PolarHBondContact O-N 2.98Å; S206-K209 CarbonylContact O-C 3.57Å; S206-K209 WeakPolarHBondContact O-CA 3.21Å; S206-K209 PolarHBondContact O-N 2.67Å; S206-T210 PolarHBondContact O-N 3.04Å; S206-T210 PolarHBondContact O-OG1 2.77Å |
| 207 | A | 49.2 | Very low | 46 | Very low | 54 Ų | 54 | 104.1 Ų | 104.1 | 45% | 0.446 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -62.2 | -39.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | K203 S204 K209 T210 | K203-A207 WeakPolarHBondContact O-CB 3.36Å; K203-A207 PolarHBondContact O-N 2.68Å; S204-A207 PolarHBondContact O-N 3.36Å; A207-K209 VanDerWaalsContact C-N 3.29Å; A207-K209 PolarHBondContact O-N 2.95Å; A207-T210 WeakPolarHBondContact CA-OG1 3.25Å; A207-T210 PolarHBondContact O-OG1 3.25Å |
| 208 | M | 48.1 | Very low | 44.1 | Very low | 129 Ų | 129 | 104.2 Ų | 104.2 | 64% | 0.635 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.3 | -34.1 | 170.7 | -78.1 | -163.3 | -77.8 | 0 | 0 | 112.6 | S204 L205 S206 T211 | S204-M208 PolarHBondContact O-N 2.94Å; L205-M208 HydrophobicContact CD2-CE 4.05Å; L205-M208 PolarHBondContact O-N 3.5Å; S206-M208 VanDerWaalsContact C-N 3.3Å; S206-M208 PolarHBondContact O-N 2.98Å; M208-T211 PolarHBondContact O-OG1 3.46Å |
| 209 | K | 39.5 | Very low | 43.1 | Very low | 162 Ų | 162 | 102.8 Ų | 102.8 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -81.1 | -36.4 | -178.9 | -149.1 | 171.1 | -175.1 | 178.8 | 0 | 113 | L205 S206 A207 T211 T212 | L205-K209 PolarHBondContact O-N 3.21Å; S206-K209 CarbonylContact O-C 3.57Å; S206-K209 WeakPolarHBondContact O-CA 3.21Å; S206-K209 PolarHBondContact O-N 2.67Å; A207-K209 VanDerWaalsContact C-N 3.29Å; A207-K209 PolarHBondContact O-N 2.95Å; K209-T211 VanDerWaalsContact C-N 3.32Å; K209-T211 PolarHBondContact O-N 3.42Å; K209-T212 PolarHBondContact O-N 2.81Å; K209-T212 PolarHBondContact O-OG1 3.04Å |
| 210 | T | 38.5 | Very low | 42.4 | Very low | 90 Ų | 90 | 110.7 Ų | 110.7 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -69.6 | -24.6 | -179 | 41.2 | 0 | 0 | 0 | 0 | 113.9 | S206 A207 T212 F213 | S206-T210 PolarHBondContact O-N 3.04Å; S206-T210 PolarHBondContact O-OG1 2.77Å; A207-T210 WeakPolarHBondContact CA-OG1 3.25Å; A207-T210 PolarHBondContact O-OG1 3.25Å; T210-T212 PolarHBondContact O-N 3.22Å; T210-F213 PolarHBondContact O-N 3.04Å |
| 211 | T | 39.1 | Very low | 41.8 | Very low | 111 Ų | 111 | 110.2 Ų | 110.2 | 68% | 0.681 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -26.1 | 172.7 | 50.5 | 0 | 0 | 0 | 0 | 112.5 | M208 K209 | M208-T211 PolarHBondContact O-OG1 3.46Å; K209-T211 VanDerWaalsContact C-N 3.32Å; K209-T211 PolarHBondContact O-N 3.42Å |
| 212 | T | 35.4 | Very low | 41.8 | Very low | 110 Ų | 110 | 110.7 Ų | 110.7 | 68% | 0.675 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -13 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 114.7 | K209 T210 | K209-T212 PolarHBondContact O-N 2.81Å; K209-T212 PolarHBondContact O-OG1 3.04Å; T210-T212 PolarHBondContact O-N 3.22Å |
| 213 | F | 32.4 | Very low | 42.8 | Very low | 188 Ų | 188 | 107 Ų | 107 | 83% | 0.825 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.3 | 3.1 | -172 | -127.1 | -88.9 | 0 | 0 | 0 | 114.8 | T210 L215 | T210-F213 PolarHBondContact O-N 3.04Å; F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 3.1Å |
| 214 | A | 27.5 | Very low | 43.6 | Very low | 85 Ų | 85 | 100.8 Ų | 100.8 | 70% | 0.702 | 58% | 0.584 | S | S | * | * | trans | -86.8 | 13 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 215 | L | 29.4 | Very low | 44.3 | Very low | 176 Ų | 176 | 99.3 Ų | 99.3 | 92% | 0.921 | 57% | 0.568 | S | S | * | * | trans | -108.4 | 80.8 | 174.9 | -84.1 | 159.3 | 0 | 0 | 0 | 110.7 | F213 | F213-L215 VanDerWaalsContact C-N 3.33Å; F213-L215 PolarHBondContact O-N 3.1Å | ||
| 216 | S | 29 | Very low | 45.4 | Very low | 114 Ų | 114 | 96.8 Ų | 96.8 | 80% | 0.797 | 56% | 0.558 | S | S | * | * | trans | -160.1 | 87.1 | 161.5 | 163.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 217 | A | 31.5 | Very low | 46.6 | Very low | 97 Ų | 97 | 94.2 Ų | 94.2 | 80% | 0.802 | 54% | 0.541 | S | S | * | . | trans | -79 | 141.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 218 | S | 32.6 | Very low | 47.4 | Very low | 126 Ų | 126 | 93.2 Ų | 93.2 | 88% | 0.881 | 54% | 0.536 | S | S | * | . | trans | 43.7 | 88.8 | 146.8 | -164 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 219 | S | 39.4 | Very low | 47.8 | Very low | 49 Ų | 49 | 88.1 Ų | 88.1 | 34% | 0.343 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -147.3 | 170 | 143.2 | 97.6 | 0 | 0 | 0 | 0 | 107.3 | N11 V221 | N11-S219 PolarHBondContact OD1-OG 3.45Å; S219-V221 VanDerWaalsContact C-N 3.27Å; S219-V221 WeakPolarHBondContact O-CG2 3.12Å; S219-V221 PolarHBondContact O-N 2.91Å |
| 220 | R | 42.6 | Very low | 48.2 | Very low | 240 Ų | 240 | 85.8 Ų | 85.8 | 91% | 0.906 | 51% | 0.507 | S | S | * | . | trans | -64.5 | 90.3 | 175.9 | -74.1 | -176.5 | -174.6 | 176.2 | 2.2 | 109.4 | C222 | R220-C222 PolarHBondContact O-N 2.75Š| ||
| 221 | V | 49.7 | Very low | 48.7 | Very low | 69 Ų | 69 | 83.4 Ų | 83.4 | 42% | 0.418 | 49% | 0.49 | S | S | . | . | trans | -70.3 | 121 | -179.2 | 179.9 | 0 | 0 | 0 | 0 | 109.1 | N11 R13 S219 | N11-V221 CarbonylContact O-C 3.51Å; N11-V221 VanDerWaalsContact O-CA 3.28Å; N11-V221 WeakPolarHBondContact O-CA 3.38Å; N11-V221 WeakPolarHBondContact O-CG1 3.49Å; R13-V221 HydrophobicContact CG-CG1 3.46Å; R13-V221 VanDerWaalsContact CG-CG1 3.46Å; S219-V221 VanDerWaalsContact C-N 3.27Å; S219-V221 WeakPolarHBondContact O-CG2 3.12Å; S219-V221 PolarHBondContact O-N 2.91Å | ||
| 222 | C | 58.2 | Low | 48.9 | Very low | 61 Ų | 61 | 81.3 Ų | 81.3 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 134.9 | 166.9 | -70.4 | 0 | 0 | 0 | 0 | 108.6 | N11 S12 R13 R220 I224 | N11-C222 PolarHBondContact O-N 3.24Å; S12-C222 VanDerWaalsContact CA-O 3.28Å; S12-C222 WeakPolarHBondContact CA-O 3.49Å; R13-C222 PolarHBondContact N-O 3.4Å; R220-C222 PolarHBondContact O-N 2.75Å; C222-I224 VanDerWaalsContact C-N 3.27Å; C222-I224 PolarHBondContact O-N 3.37Å |
| 223 | D | 67.3 | Low | 49.3 | Very low | 19 Ų | 19 | 81.2 Ų | 81.2 | 10% | 0.102 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | -33.3 | 178.7 | -86.8 | -15.4 | 0 | 0 | 0 | 111.1 | R13 V14 L95 R99 V246 | R13-D223 WeakPolarHBondContact CD-OD1 3.38Å; R13-D223 IonicContact CZ-OD1 2.84Å; R13-D223 IonicContact NE-OD1 3.69Å; R13-D223 IonicContact NH1-OD1 3.86Å; R13-D223 PolarHBondContact NH1-OD1 3.23Å; V14-D223 PolarHBondContact N-O 2.9Å; L95-D223 HydrophobicContact CD1-CB 4.45Å; L95-D223 HydrophobicContact CD2-CB 4.09Å; R99-D223 IonicContact NH2-OD2 2.69Å; R99-D223 PolarHBondContact NH2-OD2 2.82Å; R99-D223 VanDerWaalsContact NH2-OD2 3.13Å; D223-V246 HydrophobicContact CB-CG1 3.9Å |
| 224 | I | 68.5 | Low | 50 | Low | 7 Ų | 7 | 76 Ų | 76 | 4% | 0.036 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 128.9 | -177.2 | -51.6 | 164 | 0 | 0 | 0 | 110.5 | V14 L16 I91 L95 C222 V226 L243 V246 | V14-I224 WeakPolarHBondContact O-CA 3.36Å; L16-I224 HydrophobicContact CB-CG2 4.25Å; I91-I224 HydrophobicContact CG2-CD1 3.54Å; I91-I224 HydrophobicContact CG2-CG1 3.9Å; L95-I224 HydrophobicContact CD1-CD1 4.2Å; L95-I224 HydrophobicContact CD1-CG1 4.29Å; C222-I224 VanDerWaalsContact C-N 3.27Å; C222-I224 PolarHBondContact O-N 3.37Å; I224-V226 HydrophobicContact CG2-CG2 4.05Å; I224-L243 HydrophobicContact CD1-CD1 4.13Å; I224-L243 HydrophobicContact CD1-CD2 3.41Å; I224-L243 VanDerWaalsContact CD1-CD2 3.41Å; I224-L243 HydrophobicContact CD1-CG 4.43Å; I224-V246 HydrophobicContact CD1-CG1 3.98Å |
| 225 | Y | 76.1 | Confident | 50.8 | Low | 34 Ų | 34 | 76.1 Ų | 76.1 | 13% | 0.133 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 135.5 | 161.7 | 170.4 | -84.7 | 0 | 0 | 0 | 109.5 | E5 A8 K9 S12 V14 L15 L16 F17 | E5-Y225 HydrophobicContact CG-CE2 4.25Å; E5-Y225 VanDerWaalsContact CG-OH 3.26Å; E5-Y225 WeakPolarHBondContact CG-OH 2.97Å; E5-Y225 PolarHBondContact OE1-OH 3.48Å; E5-Y225 VanDerWaalsContact OE1-OH 3.06Å; A8-Y225 HydrophobicContact CB-CD2 3.78Å; A8-Y225 HydrophobicContact CB-CE2 4.02Å; K9-Y225 HydrophobicContact CD-CE1 4.14Å; K9-Y225 WeakPolarHBondContact CE-OH 3.35Å; K9-Y225 HydrophobicContact CG-CD1 3.86Å; K9-Y225 HydrophobicContact CG-CD2 4.16Å; K9-Y225 HydrophobicContact CG-CE1 3.66Å; K9-Y225 HydrophobicContact CG-CE2 3.97Å; K9-Y225 HydrophobicContact CG-CG 4.12Å; S12-Y225 WeakPolarHBondContact OG-CB 3.34Å; V14-Y225 PolarHBondContact O-N 3.47Å; L15-Y225 HydrophobicContact CD2-CD1 3.83Å; L15-Y225 HydrophobicContact CD2-CG 4.05Å; L16-Y225 PolarHBondContact N-O 3.21Å; F17-Y225 HydrophobicContact CZ-CE1 4.48Å |
| 226 | V | 72.5 | Confident | 51.6 | Low | 51 Ų | 51 | 71.9 Ų | 71.9 | 31% | 0.309 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.6 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | L16 I224 M231 | L16-V226 HydrophobicContact CD2-CG2 4.44Å; L16-V226 CarbonylContact O-C 3.59Å; L16-V226 WeakPolarHBondContact O-CA 3.48Å; I224-V226 HydrophobicContact CG2-CG2 4.05Å; V226-M231 HydrophobicContact CG1-CE 4.47Å |
| 227 | G | 71.4 | Confident | 52.4 | Low | 7 Ų | 7 | 68.8 Ų | 68.8 | 7% | 0.072 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 157.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L16 F17 V18 | L16-G227 PolarHBondContact O-N 3.17Å; F17-G227 VanDerWaalsContact CA-O 3.31Å; F17-G227 WeakPolarHBondContact CA-O 3.47Å; V18-G227 PolarHBondContact N-O 3.2Å |
| 228 | G | 65.9 | Low | 53.2 | Low | 33 Ų | 33 | 67.5 Ų | 67.5 | 34% | 0.34 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.5 | 171 | 178 | 0 | 0 | 0 | 0 | 0 | 114.2 | V18 D230 | V18-G228 WeakPolarHBondContact O-CA 3.45Å; G228-D230 PolarHBondContact O-N 3.18Å; G228-D230 VanDerWaalsContact O-N 3.15Å |
| 229 | T | 56.8 | Low | 54.1 | Low | 22 Ų | 22 | 62.4 Ų | 62.4 | 14% | 0.135 | 37% | 0.369 | C | S | . | . | S | Bend | trans | -78.6 | 94.6 | 174.9 | 54.6 | 0 | 0 | 0 | 0 | 109.6 | Q23 S25 T28 | Q23-T229 HydrophobicContact CB-CG2 4.43Å; Q23-T229 VanDerWaalsContact OE1-C 3.27Å; Q23-T229 VanDerWaalsContact OE1-CB 3.29Å; Q23-T229 PolarHBondContact OE1-O 3.13Å; S25-T229 VanDerWaalsContact CB-CG2 3.47Å; T28-T229 HydrophobicContact CG2-CG2 3.69Å |
| 230 | D | 49.4 | Very low | 54.6 | Low | 113 Ų | 113 | 68.8 Ų | 68.8 | 60% | 0.604 | 39% | 0.385 | S | S | * | . | trans | 55.2 | 94 | 161.6 | -135.2 | 8.5 | 0 | 0 | 0 | 116.9 | G228 G232 | G228-D230 PolarHBondContact O-N 3.18Å; G228-D230 VanDerWaalsContact O-N 3.15Å; D230-G232 PolarHBondContact O-N 3.16Å | ||
| 231 | M | 48.1 | Very low | 55 | Low | 39 Ų | 39 | 60.5 Ų | 60.5 | 19% | 0.192 | 36% | 0.364 | C | S | . | . | trans | -76.5 | 19.5 | 179.7 | -66.4 | -74.2 | -82 | 0 | 0 | 114 | V18 V226 L234 L239 | V18-M231 HydrophobicContact CB-SD 4.1Å; V18-M231 HydrophobicContact CG1-SD 4.3Å; V18-M231 HydrophobicContact CG2-CE 4.36Å; V18-M231 HydrophobicContact CG2-SD 4.24Å; V226-M231 HydrophobicContact CG1-CE 4.47Å; M231-L234 HydrophobicContact CE-CB 3.93Å; M231-L234 HydrophobicContact CE-CD2 4.29Å; M231-L234 CarbonylContact O-C 3.37Å; M231-L234 PolarHBondContact O-N 3.41Å; M231-L234 HydrophobicContact SD-CB 4.07Å; M231-L239 HydrophobicContact CE-CD1 3.26Å | ||
| 232 | G | 43.9 | Very low | 54.9 | Low | 67 Ų | 67 | 64.5 Ų | 64.5 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -46.9 | -46.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D230 | D230-G232 PolarHBondContact O-N 3.16Š|
| 233 | P | 42.8 | Very low | 54.6 | Low | 109 Ų | 109 | 61.9 Ų | 61.9 | 71% | 0.708 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -88.2 | -21 | 176.7 | 31.5 | -31.5 | 0 | 0 | 0 | 113.7 | N235 | P233-N235 PolarHBondContact O-N 3.15Å; P233-N235 VanDerWaalsContact O-N 3.07Å |
| 234 | L | 47.5 | Very low | 53.6 | Low | 77 Ų | 77 | 67.8 Ų | 67.8 | 40% | 0.403 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -91.6 | 59.6 | 178 | -110.5 | 107.7 | 0 | 0 | 0 | 110.6 | L84 M231 T236 | L84-L234 HydrophobicContact CB-CD2 4.31Å; L84-L234 HydrophobicContact CD2-CD2 3.34Å; L84-L234 HydrophobicContact CG-CD2 4.37Å; M231-L234 HydrophobicContact CE-CB 3.93Å; M231-L234 HydrophobicContact CE-CD2 4.29Å; M231-L234 CarbonylContact O-C 3.37Å; M231-L234 PolarHBondContact O-N 3.41Å; M231-L234 HydrophobicContact SD-CB 4.07Å; L234-T236 PolarHBondContact O-N 3.5Å; L234-T236 VanDerWaalsContact O-N 3.14Å |
| 235 | N | 43.7 | Very low | 52.5 | Low | 88 Ų | 88 | 74.1 Ų | 74.1 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | trans | 2.9 | 96.6 | 166.4 | -142.7 | -6.2 | 0 | 0 | 0 | 113.2 | P233 A237 V238 L239 | P233-N235 PolarHBondContact O-N 3.15Å; P233-N235 VanDerWaalsContact O-N 3.07Å; N235-A237 PolarHBondContact O-N 2.94Å; N235-A237 WeakPolarHBondContact OD1-CB 3.44Å; N235-A237 PolarHBondContact OD1-N 3.43Å; N235-V238 HydrophobicContact CB-CB 4.17Å; N235-V238 HydrophobicContact CB-CG2 3.81Å; N235-V238 PolarHBondContact O-N 3.14Å; N235-L239 PolarHBondContact O-N 3.01Å | ||
| 236 | T | 46.6 | Very low | 51.1 | Low | 88 Ų | 88 | 73.1 Ų | 73.1 | 54% | 0.54 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -47.9 | -23.6 | 163.4 | 50.1 | 0 | 0 | 0 | 0 | 111.1 | L234 R240 | L234-T236 PolarHBondContact O-N 3.5Å; L234-T236 VanDerWaalsContact O-N 3.14Å; T236-R240 WeakPolarHBondContact O-CA 3.12Å; T236-R240 WeakPolarHBondContact O-CB 3.48Å; T236-R240 WeakPolarHBondContact O-CG 3.32Å; T236-R240 PolarHBondContact O-N 3.28Å |
| 237 | A | 46 | Very low | 49.5 | Very low | 49 Ų | 49 | 76 Ų | 76 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -69.4 | -34.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N235 S241 | N235-A237 PolarHBondContact O-N 2.94Å; N235-A237 WeakPolarHBondContact OD1-CB 3.44Å; N235-A237 PolarHBondContact OD1-N 3.43Å; A237-S241 WeakPolarHBondContact O-CA 3.49Å; A237-S241 WeakPolarHBondContact O-CB 3.49Å; A237-S241 PolarHBondContact O-N 3.03Å; A237-S241 PolarHBondContact O-OG 3.07Å; A237-S241 VanDerWaalsContact O-OG 3.1Å |
| 238 | V | 49.2 | Very low | 47.5 | Very low | 70 Ų | 70 | 80.9 Ų | 80.9 | 42% | 0.424 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73.5 | -41.9 | 175.1 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | N235 S241 R242 | N235-V238 HydrophobicContact CB-CB 4.17Å; N235-V238 HydrophobicContact CB-CG2 3.81Å; N235-V238 PolarHBondContact O-N 3.14Å; V238-S241 WeakPolarHBondContact CA-OG 3.08Å; V238-S241 PolarHBondContact O-N 2.78Å; V238-S241 PolarHBondContact O-OG 3.38Å; V238-R242 WeakPolarHBondContact O-CB 3.41Å; V238-R242 PolarHBondContact O-N 3Å |
| 239 | L | 50.9 | Low | 45.9 | Very low | 19 Ų | 19 | 87 Ų | 87 | 10% | 0.099 | 47% | 0.466 | C | S | . | . | H | α-helix | trans | -63.8 | -47.3 | 171.7 | -81.8 | 168.9 | 0 | 0 | 0 | 110.7 | L84 M88 M231 N235 S241 R242 L243 | L84-L239 HydrophobicContact CD1-CD2 4.38Å; L84-L239 HydrophobicContact CD2-CD2 4Å; L84-L239 HydrophobicContact CD2-CG 4.23Å; M88-L239 HydrophobicContact SD-CD2 3.82Å; M231-L239 HydrophobicContact CE-CD1 3.26Å; N235-L239 PolarHBondContact O-N 3.01Å; L239-S241 PolarHBondContact O-N 2.75Å; L239-R242 PolarHBondContact O-N 3.02Å; L239-L243 HydrophobicContact CB-CD1 4.43Å; L239-L243 HydrophobicContact CD2-CD1 4.06Å; L239-L243 WeakPolarHBondContact O-CA 3.14Å; L239-L243 WeakPolarHBondContact O-CB 3.02Å; L239-L243 VanDerWaalsContact O-CG 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 2.97Å |
| 240 | R | 50.2 | Low | 45.4 | Very low | 182 Ų | 182 | 90.2 Ų | 90.2 | 69% | 0.687 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.9 | -37.8 | 174.6 | -81.9 | -178.7 | -172.6 | 176.2 | 3.9 | 112.7 | T236 L243 K244 | T236-R240 WeakPolarHBondContact O-CA 3.12Å; T236-R240 WeakPolarHBondContact O-CB 3.48Å; T236-R240 WeakPolarHBondContact O-CG 3.32Å; T236-R240 PolarHBondContact O-N 3.28Å; R240-L243 CarbonylContact O-C 3.53Å; R240-K244 VanDerWaalsContact O-CA 3.25Å; R240-K244 WeakPolarHBondContact O-CA 3.19Å; R240-K244 VanDerWaalsContact O-CB 3.23Å; R240-K244 WeakPolarHBondContact O-CB 3.39Å; R240-K244 VanDerWaalsContact O-CG 3.25Å; R240-K244 WeakPolarHBondContact O-CG 3.4Å; R240-K244 PolarHBondContact O-N 3.15Å |
| 241 | S | 50.4 | Low | 45.2 | Very low | 66 Ų | 66 | 89 Ų | 89 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.9 | -37.2 | -179.1 | 68 | 0 | 0 | 0 | 0 | 111.5 | A237 V238 L239 | A237-S241 WeakPolarHBondContact O-CA 3.49Å; A237-S241 WeakPolarHBondContact O-CB 3.49Å; A237-S241 PolarHBondContact O-N 3.03Å; A237-S241 PolarHBondContact O-OG 3.07Å; A237-S241 VanDerWaalsContact O-OG 3.1Å; V238-S241 WeakPolarHBondContact CA-OG 3.08Å; V238-S241 PolarHBondContact O-N 2.78Å; V238-S241 PolarHBondContact O-OG 3.38Å; L239-S241 PolarHBondContact O-N 2.75Å |
| 242 | R | 46.7 | Very low | 45 | Very low | 154 Ų | 154 | 91.8 Ų | 91.8 | 58% | 0.581 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -78.8 | -34.7 | 174.4 | -68.8 | -164.3 | 174.3 | -138.9 | 0.6 | 113.4 | V238 L239 | V238-R242 WeakPolarHBondContact O-CB 3.41Å; V238-R242 PolarHBondContact O-N 3Å; L239-R242 PolarHBondContact O-N 3.02Å |
| 243 | L | 52.4 | Low | 45.1 | Very low | 6 Ų | 6 | 93.2 Ų | 93.2 | 3% | 0.031 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -92.4 | 3.2 | 179.1 | -66.6 | 168.3 | 0 | 0 | 0 | 113.9 | M88 I224 L239 R240 Y245 V246 F247 | M88-L243 HydrophobicContact CE-CD1 4.07Å; M88-L243 HydrophobicContact CE-CD2 3.46Å; M88-L243 VanDerWaalsContact CE-CD2 3.46Å; M88-L243 HydrophobicContact CE-CG 3.66Å; I224-L243 HydrophobicContact CD1-CD1 4.13Å; I224-L243 HydrophobicContact CD1-CD2 3.41Å; I224-L243 VanDerWaalsContact CD1-CD2 3.41Å; I224-L243 HydrophobicContact CD1-CG 4.43Å; L239-L243 HydrophobicContact CB-CD1 4.43Å; L239-L243 HydrophobicContact CD2-CD1 4.06Å; L239-L243 WeakPolarHBondContact O-CA 3.14Å; L239-L243 WeakPolarHBondContact O-CB 3.02Å; L239-L243 VanDerWaalsContact O-CG 3.32Å; L239-L243 WeakPolarHBondContact O-CG 3.43Å; L239-L243 PolarHBondContact O-N 2.97Å; R240-L243 CarbonylContact O-C 3.53Å; L243-Y245 PolarHBondContact O-N 3.37Å; L243-V246 HydrophobicContact CB-CB 4.42Å; L243-V246 HydrophobicContact CD2-CB 3.77Å; L243-V246 HydrophobicContact CD2-CG1 4.12Å; L243-V246 HydrophobicContact CD2-CG2 3.7Å; L243-V246 PolarHBondContact O-N 2.8Å; L243-F247 HydrophobicContact CB-CD2 3.77Å; L243-F247 HydrophobicContact CB-CE2 3.77Å; L243-F247 HydrophobicContact CD1-CE2 3.87Å; L243-F247 HydrophobicContact CG-CE2 4.36Å; L243-F247 PolarHBondContact O-N 3.03Å; L243-F247 VanDerWaalsContact O-N 3.16Å |
| 244 | K | 47.2 | Very low | 45.2 | Very low | 142 Ų | 142 | 92.3 Ų | 92.3 | 62% | 0.617 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.8 | -31.7 | 177.7 | -117 | 176.8 | -174.6 | -173.5 | 0 | 111.4 | R240 L248 | R240-K244 VanDerWaalsContact O-CA 3.25Å; R240-K244 WeakPolarHBondContact O-CA 3.19Å; R240-K244 VanDerWaalsContact O-CB 3.23Å; R240-K244 WeakPolarHBondContact O-CB 3.39Å; R240-K244 VanDerWaalsContact O-CG 3.25Å; R240-K244 WeakPolarHBondContact O-CG 3.4Å; R240-K244 PolarHBondContact O-N 3.15Å; K244-L248 VanDerWaalsContact O-CD1 3.31Å; K244-L248 WeakPolarHBondContact O-CD1 3.31Å |
| 245 | Y | 45.2 | Very low | 45.1 | Very low | 140 Ų | 140 | 93.3 Ų | 93.3 | 55% | 0.549 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -11.1 | -179.4 | -54.8 | -73.8 | 0 | 0 | 0 | 115 | A109 L243 | A109-Y245 HydrophobicContact CB-CD1 3.44Å; A109-Y245 VanDerWaalsContact CB-CD1 3.44Å; A109-Y245 HydrophobicContact CB-CD2 3.96Å; A109-Y245 HydrophobicContact CB-CE1 4.02Å; A109-Y245 HydrophobicContact CB-CE2 4.48Å; A109-Y245 HydrophobicContact CB-CG 3.39Å; L243-Y245 PolarHBondContact O-N 3.37Å |
| 246 | V | 46.4 | Very low | 45.2 | Very low | 13 Ų | 13 | 93.6 Ų | 93.6 | 8% | 0.079 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -34.3 | -179.9 | 177.6 | 0 | 0 | 0 | 0 | 111 | L95 W110 D223 I224 L243 L248 | L95-V246 HydrophobicContact CD1-CG1 3.54Å; L95-V246 HydrophobicContact CD1-CG2 4.49Å; W110-V246 HydrophobicContact CZ2-CG2 4.39Å; D223-V246 HydrophobicContact CB-CG1 3.9Å; I224-V246 HydrophobicContact CD1-CG1 3.98Å; L243-V246 HydrophobicContact CB-CB 4.42Å; L243-V246 HydrophobicContact CD2-CB 3.77Å; L243-V246 HydrophobicContact CD2-CG1 4.12Å; L243-V246 HydrophobicContact CD2-CG2 3.7Å; L243-V246 PolarHBondContact O-N 2.8Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 2.81Å |
| 247 | F | 39.5 | Very low | 45.1 | Very low | 112 Ų | 112 | 94.1 Ų | 94.1 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | S | Bend | trans | -81.8 | -4 | 178.2 | -76.7 | -75 | 0 | 0 | 0 | 115.1 | L243 P249 | L243-F247 HydrophobicContact CB-CD2 3.77Å; L243-F247 HydrophobicContact CB-CE2 3.77Å; L243-F247 HydrophobicContact CD1-CE2 3.87Å; L243-F247 HydrophobicContact CG-CE2 4.36Å; L243-F247 PolarHBondContact O-N 3.03Å; L243-F247 VanDerWaalsContact O-N 3.16Å; F247-P249 WeakPolarHBondContact O-CD 3.37Å |
| 248 | L | 29.5 | Very low | 45 | Very low | 109 Ų | 109 | 97.8 Ų | 97.8 | 57% | 0.571 | 47% | 0.47 | S | S | * | . | trans | -89.3 | 118.6 | 175.4 | -80.7 | 159.4 | 0 | 0 | 0 | 109.6 | K244 V246 | K244-L248 VanDerWaalsContact O-CD1 3.31Å; K244-L248 WeakPolarHBondContact O-CD1 3.31Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 2.81Å | ||
| 249 | P | 32.4 | Very low | 44.6 | Very low | 161 Ų | 161 | 100.4 Ų | 100.4 | 100% | 1.045 | 47% | 0.474 | S | S | * | . | trans | -51.6 | 0 | 172.2 | 20.4 | -29.7 | 0 | 0 | 0 | 111.9 | K107 F247 | K107-P249 VanDerWaalsContact NZ-C 3.27Å; K107-P249 PolarHBondContact NZ-O 2.91Å; K107-P249 PolarHBondContact NZ-OXT 3.3Å; F247-P249 WeakPolarHBondContact O-CD 3.37Å |
Retrieved 249 of 249 residues in 272.2 ms
(Link to these results)