| 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 | 79.9 | Confident | 92.1 | Very high | 195 Ų | 195 | 84.9 Ų | 84.9 | 96% | 0.961 | 42% | 0.415 | S | S | * | . | 0 | -59 | 0 | -147.7 | 177.4 | -137.5 | 0 | 0 | 113 | D4 R5 | M1-D4 WeakPolarHBondContact CA-OD2 3.34Å; M1-D4 PolarHBondContact N-OD2 3.01Å; M1-R5 WeakPolarHBondContact O-CB 3.21Å; M1-R5 PolarHBondContact O-N 2.71Å | |||
| 2 | F | 90.2 | Very high | 92.6 | Very high | 151 Ų | 151 | 77.8 Ų | 77.8 | 66% | 0.662 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -66.9 | -50.8 | 177.6 | -179.1 | -89.6 | 0 | 0 | 0 | 112.7 | D4 R5 W6 | F2-D4 PolarHBondContact O-N 3.21Å; F2-R5 PolarHBondContact O-N 2.86Å; F2-W6 AromaticContact CD2-CD1 3.43Å; F2-W6 VanDerWaalsContact CD2-CD1 3.43Å; F2-W6 AromaticContact CD2-NE1 3.8Å; F2-W6 AromaticContact CE2-CD1 3.32Å; F2-W6 HydrophobicContact CE2-CG 4.27Å; F2-W6 AromaticContact CE2-NE1 3.64Å; F2-W6 AromaticContact CG-CD1 3.93Å; F2-W6 AromaticContact CZ-CD1 3.73Å; F2-W6 HydrophobicContact CZ-CG 4.32Å; F2-W6 PolarHBondContact O-N 2.92Å |
| 3 | A | 91 | Very high | 93 | Very high | 39 Ų | 39 | 72.2 Ų | 72.2 | 32% | 0.322 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | R5 W6 L7 F8 | A3-R5 VanDerWaalsContact C-N 3.3Å; A3-R5 PolarHBondContact O-N 2.68Å; A3-W6 PolarHBondContact O-N 2.86Å; A3-L7 HydrophobicContact CB-CD1 4.06Å; A3-L7 WeakPolarHBondContact O-CA 3.22Å; A3-L7 VanDerWaalsContact O-CB 3.29Å; A3-L7 WeakPolarHBondContact O-CB 3.43Å; A3-L7 PolarHBondContact O-N 3.36Å; A3-F8 HydrophobicContact CB-CE2 4.41Å; A3-F8 PolarHBondContact O-N 3.44Å |
| 4 | D | 90.3 | Very high | 93.3 | Very high | 100 Ų | 100 | 67.8 Ų | 67.8 | 54% | 0.535 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 178.5 | -47.8 | -50.3 | 0 | 0 | 0 | 112 | M1 F2 F8 S9 | M1-D4 WeakPolarHBondContact CA-OD2 3.34Å; M1-D4 PolarHBondContact N-OD2 3.01Å; F2-D4 PolarHBondContact O-N 3.21Å; D4-F8 CarbonylContact O-C 3.49Å; D4-F8 VanDerWaalsContact O-C 3.25Å; D4-S9 PolarHBondContact O-N 3.46Å |
| 5 | R | 91.3 | Very high | 93.6 | Very high | 96 Ų | 96 | 63.3 Ų | 63.3 | 36% | 0.362 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.6 | -42.5 | -178.5 | -176.7 | 176.9 | 173 | -169.1 | -5.9 | 113.3 | M1 F2 A3 S9 D14 Y502 | M1-R5 WeakPolarHBondContact O-CB 3.21Å; M1-R5 PolarHBondContact O-N 2.71Å; F2-R5 PolarHBondContact O-N 2.86Å; A3-R5 VanDerWaalsContact C-N 3.3Å; A3-R5 PolarHBondContact O-N 2.68Å; R5-S9 WeakPolarHBondContact O-CB 3.42Å; R5-S9 PolarHBondContact O-OG 3.46Å; R5-D14 WeakPolarHBondContact CG-OD2 3.22Å; R5-D14 IonicContact CZ-OD1 3.44Å; R5-D14 IonicContact NE-OD1 3.06Å; R5-D14 PolarHBondContact NE-OD1 3.02Å; R5-D14 IonicContact NE-OD2 3.46Å; R5-D14 PolarHBondContact NE-OD2 3.31Å; R5-D14 IonicContact NH2-OD1 2.9Å; R5-D14 PolarHBondContact NH2-OD1 3.12Å; R5-Y502 PolarHBondContact NE-OH 2.64Å; R5-Y502 PolarHBondContact NH1-OH 2.67Å; R5-Y502 PolarHBondContact NH2-OH 3.41Å |
| 6 | W | 94 | Very high | 93.9 | Very high | 51 Ų | 51 | 59.3 Ų | 59.3 | 19% | 0.193 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -105.3 | -39.3 | -169.5 | -62.2 | 111.7 | 0 | 0 | 0 | 113.7 | F2 A3 D14 T17 L18 | F2-W6 AromaticContact CD2-CD1 3.43Å; F2-W6 VanDerWaalsContact CD2-CD1 3.43Å; F2-W6 AromaticContact CD2-NE1 3.8Å; F2-W6 AromaticContact CE2-CD1 3.32Å; F2-W6 HydrophobicContact CE2-CG 4.27Å; F2-W6 AromaticContact CE2-NE1 3.64Å; F2-W6 AromaticContact CG-CD1 3.93Å; F2-W6 AromaticContact CZ-CD1 3.73Å; F2-W6 HydrophobicContact CZ-CG 4.32Å; F2-W6 PolarHBondContact O-N 2.92Å; A3-W6 PolarHBondContact O-N 2.86Å; W6-D14 HydrophobicContact CE3-CB 4.31Å; W6-D14 HydrophobicContact CZ3-CB 4.09Å; W6-T17 HydrophobicContact CH2-CG2 4.31Å; W6-T17 HydrophobicContact CZ3-CG2 4.26Å; W6-L18 HydrophobicContact CE3-CD1 4.47Å; W6-L18 HydrophobicContact CE3-CD2 3.85Å; W6-L18 HydrophobicContact CE3-CG 4.04Å; W6-L18 HydrophobicContact CZ3-CD2 4.42Å; W6-L18 HydrophobicContact CZ3-CG 4.44Å; W6-L18 WeakPolarHBondContact O-CD1 3.24Å |
| 7 | L | 93.7 | Very high | 94.2 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -42.9 | 179.7 | -56.4 | 179.7 | 0 | 0 | 0 | 111.3 | A3 N99 W103 | A3-L7 HydrophobicContact CB-CD1 4.06Å; A3-L7 WeakPolarHBondContact O-CA 3.22Å; A3-L7 VanDerWaalsContact O-CB 3.29Å; A3-L7 WeakPolarHBondContact O-CB 3.43Å; A3-L7 PolarHBondContact O-N 3.36Å; L7-N99 PolarHBondContact O-ND2 3.37Å; L7-W103 HydrophobicContact CB-CZ2 4.49Å; L7-W103 HydrophobicContact CD2-CH2 3.38Å; L7-W103 HydrophobicContact CD2-CZ2 3.4Å; L7-W103 VanDerWaalsContact CD2-CZ2 3.4Å; L7-W103 HydrophobicContact CD2-CZ3 4.39Å; L7-W103 PolarHBondContact O-NE1 3.42Å |
| 8 | F | 95.2 | Very high | 94.4 | Very high | 145 Ų | 145 | 55.8 Ų | 55.8 | 64% | 0.636 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -105.9 | 24.3 | -176.9 | -53.1 | -62.9 | 0 | 0 | 0 | 112.9 | A3 D4 | A3-F8 HydrophobicContact CB-CE2 4.41Å; A3-F8 PolarHBondContact O-N 3.44Å; D4-F8 CarbonylContact O-C 3.49Å; D4-F8 VanDerWaalsContact O-C 3.25Å |
| 9 | S | 95 | Very high | 94.6 | Very high | 4 Ų | 4 | 53.4 Ų | 53.4 | 3% | 0.028 | 26% | 0.263 | C | S | . | . | trans | -58.6 | 142.9 | -177.4 | -155.7 | 0 | 0 | 0 | 0 | 112 | D4 R5 N11 D14 N99 | D4-S9 PolarHBondContact O-N 3.46Å; R5-S9 WeakPolarHBondContact O-CB 3.42Å; R5-S9 PolarHBondContact O-OG 3.46Å; S9-N11 PolarHBondContact OG-N 2.79Å; S9-D14 VanDerWaalsContact OG-CB 3.29Å; S9-D14 WeakPolarHBondContact OG-CB 3.3Å; S9-N99 VanDerWaalsContact O-CB 3.3Å; S9-N99 WeakPolarHBondContact O-CB 3.18Å; S9-N99 VanDerWaalsContact O-CG 3.32Å; S9-N99 PolarHBondContact O-ND2 3.29Å | ||
| 10 | T | 95.6 | Very high | 94.8 | Very high | 67 Ų | 67 | 52.2 Ų | 52.2 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | trans | -119.3 | 7.8 | 163.6 | 58.3 | 0 | 0 | 0 | 0 | 111.7 | P95 R96 | T10-P95 HydrophobicContact CG2-CB 4.33Å; T10-P95 WeakPolarHBondContact O-CB 3.47Å; T10-R96 HydrophobicContact CG2-CG 4.17Å | ||
| 11 | N | 97 | Very high | 95 | Very high | 12 Ų | 12 | 55 Ų | 55 | 6% | 0.064 | 27% | 0.273 | C | S | . | . | trans | -93.2 | 126.7 | -179.3 | -172.3 | -84 | 0 | 0 | 0 | 110.5 | S9 K13 D14 V15 Y502 | S9-N11 PolarHBondContact OG-N 2.79Å; N11-K13 PolarHBondContact O-N 3.26Å; N11-K13 VanDerWaalsContact O-N 3.15Å; N11-K13 WeakPolarHBondContact OD1-CA 3.37Å; N11-K13 WeakPolarHBondContact OD1-CB 3.34Å; N11-K13 WeakPolarHBondContact OD1-CG 3.13Å; N11-K13 PolarHBondContact OD1-N 2.75Å; N11-D14 HydrophobicContact CB-CB 4.39Å; N11-D14 PolarHBondContact O-N 2.99Å; N11-V15 PolarHBondContact O-N 3.34Å; N11-V15 VanDerWaalsContact O-N 3.08Å; N11-Y502 PolarHBondContact ND2-O 3.24Å | ||
| 12 | H | 97.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -56.5 | -29.5 | 179.1 | 69.6 | 101.2 | 0 | 0 | 0 | 114.5 | G16 N80 P84 D91 M92 | H12-G16 PolarHBondContact O-N 3Å; H12-N80 PolarHBondContact ND1-O 2.97Å; H12-P84 HydrophobicContact CB-CG 4.24Å; H12-D91 VanDerWaalsContact CB-OD1 3.27Å; H12-D91 WeakPolarHBondContact CB-OD1 3.48Å; H12-D91 IonicContact CD2-OD1 2.78Å; H12-D91 PolarHBondContact CD2-OD1 3.42Å; H12-D91 IonicContact CG-OD1 3.44Å; H12-D91 PolarHBondContact N-OD1 3.24Å; H12-D91 VanDerWaalsContact N-OD1 3.16Å; H12-M92 HydrophobicContact CB-CG 3.76Å |
| 13 | K | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 2% | 0.022 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -76.2 | -40.1 | -179.7 | -53.9 | 173.7 | -176 | 174.3 | 0 | 112 | N11 T17 W81 P500 P501 T504 | N11-K13 PolarHBondContact O-N 3.26Å; N11-K13 VanDerWaalsContact O-N 3.15Å; N11-K13 WeakPolarHBondContact OD1-CA 3.37Å; N11-K13 WeakPolarHBondContact OD1-CB 3.34Å; N11-K13 WeakPolarHBondContact OD1-CG 3.13Å; N11-K13 PolarHBondContact OD1-N 2.75Å; K13-T17 WeakPolarHBondContact O-CB 3.5Å; K13-T17 PolarHBondContact O-N 3.27Å; K13-T17 PolarHBondContact O-OG1 3.44Å; K13-W81 HydrophobicContact CB-CD2 4.13Å; K13-W81 HydrophobicContact CB-CE3 4.07Å; K13-W81 HydrophobicContact CB-CH2 3.77Å; K13-W81 HydrophobicContact CB-CZ2 3.79Å; K13-W81 HydrophobicContact CB-CZ3 3.9Å; K13-W81 HydrophobicContact CD-CE3 4.34Å; K13-W81 HydrophobicContact CD-CH2 4.22Å; K13-W81 HydrophobicContact CD-CZ3 3.83Å; K13-W81 HydrophobicContact CG-CD2 4.34Å; K13-W81 HydrophobicContact CG-CE3 3.89Å; K13-W81 HydrophobicContact CG-CH2 4.2Å; K13-W81 HydrophobicContact CG-CZ3 3.82Å; K13-W81 PolarHBondContact O-NE1 3.14Å; K13-W81 VanDerWaalsContact O-NE1 3.13Å; K13-P500 PolarHBondContact NZ-O 3.08Å; K13-P501 PolarHBondContact NZ-O 3.21Å; K13-T504 PolarHBondContact NZ-OG1 3.34Å |
| 14 | D | 97.6 | Very high | 96.6 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.6 | -47.2 | 174.8 | -75.3 | -28.8 | 0 | 0 | 0 | 109.7 | R5 W6 S9 N11 G16 T17 L18 | R5-D14 WeakPolarHBondContact CG-OD2 3.22Å; R5-D14 IonicContact CZ-OD1 3.44Å; R5-D14 IonicContact NE-OD1 3.06Å; R5-D14 PolarHBondContact NE-OD1 3.02Å; R5-D14 IonicContact NE-OD2 3.46Å; R5-D14 PolarHBondContact NE-OD2 3.31Å; R5-D14 IonicContact NH2-OD1 2.9Å; R5-D14 PolarHBondContact NH2-OD1 3.12Å; W6-D14 HydrophobicContact CE3-CB 4.31Å; W6-D14 HydrophobicContact CZ3-CB 4.09Å; S9-D14 VanDerWaalsContact OG-CB 3.29Å; S9-D14 WeakPolarHBondContact OG-CB 3.3Å; N11-D14 HydrophobicContact CB-CB 4.39Å; N11-D14 PolarHBondContact O-N 2.99Å; D14-G16 PolarHBondContact O-N 3.42Å; D14-T17 WeakPolarHBondContact O-CB 3.48Å; D14-T17 PolarHBondContact O-N 2.89Å; D14-T17 VanDerWaalsContact O-N 3.15Å; D14-L18 WeakPolarHBondContact O-CG 3.46Å; D14-L18 PolarHBondContact O-N 3.46Å |
| 15 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 175.4 | 176 | 0 | 0 | 0 | 0 | 111.4 | N11 T17 L18 Y19 N99 F102 | N11-V15 PolarHBondContact O-N 3.34Å; N11-V15 VanDerWaalsContact O-N 3.08Å; V15-T17 VanDerWaalsContact C-N 3.28Å; V15-T17 PolarHBondContact O-N 3.18Å; V15-L18 WeakPolarHBondContact O-CB 3.33Å; V15-L18 PolarHBondContact O-N 3.06Å; V15-L18 VanDerWaalsContact O-N 3.15Å; V15-Y19 HydrophobicContact CG1-CD2 3.87Å; V15-Y19 HydrophobicContact CG1-CE2 3.66Å; V15-Y19 VanDerWaalsContact O-CD2 3.29Å; V15-Y19 WeakPolarHBondContact O-CD2 3.28Å; V15-Y19 PolarHBondContact O-N 3.02Å; V15-N99 HydrophobicContact CG2-CB 4.37Å; V15-F102 HydrophobicContact CG1-CB 4.18Å |
| 16 | G | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | H12 D14 Y19 L20 G77 | H12-G16 PolarHBondContact O-N 3Å; D14-G16 PolarHBondContact O-N 3.42Å; G16-Y19 PolarHBondContact O-N 3.19Å; G16-L20 WeakPolarHBondContact O-CG 3.43Å; G16-L20 PolarHBondContact O-N 3.37Å; G16-G77 WeakPolarHBondContact O-CA 3.48Å |
| 17 | T | 98.3 | Very high | 97.4 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 20% | 0.202 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -41.4 | 174.6 | -57.2 | 0 | 0 | 0 | 0 | 111.6 | W6 K13 D14 V15 Y19 L20 L21 W81 | W6-T17 HydrophobicContact CH2-CG2 4.31Å; W6-T17 HydrophobicContact CZ3-CG2 4.26Å; K13-T17 WeakPolarHBondContact O-CB 3.5Å; K13-T17 PolarHBondContact O-N 3.27Å; K13-T17 PolarHBondContact O-OG1 3.44Å; D14-T17 WeakPolarHBondContact O-CB 3.48Å; D14-T17 PolarHBondContact O-N 2.89Å; D14-T17 VanDerWaalsContact O-N 3.15Å; V15-T17 VanDerWaalsContact C-N 3.28Å; V15-T17 PolarHBondContact O-N 3.18Å; T17-Y19 VanDerWaalsContact C-N 3.34Å; T17-Y19 PolarHBondContact O-N 3.46Å; T17-L20 PolarHBondContact O-N 3.02Å; T17-L21 HydrophobicContact CG2-CD1 4.17Å; T17-L21 HydrophobicContact CG2-CG 4.41Å; T17-L21 WeakPolarHBondContact O-CG 3.28Å; T17-L21 PolarHBondContact O-N 3.48Å; T17-W81 VanDerWaalsContact OG1-CZ2 3.31Å; T17-W81 WeakPolarHBondContact OG1-CZ2 3.42Å; T17-W81 PolarHBondContact OG1-NE1 3.36Å; T17-W81 VanDerWaalsContact OG1-NE1 3.07Å |
| 18 | L | 98.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.12 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 175.7 | -68.7 | 173.7 | 0 | 0 | 0 | 111.7 | W6 D14 V15 L21 F22 F102 | W6-L18 HydrophobicContact CE3-CD1 4.47Å; W6-L18 HydrophobicContact CE3-CD2 3.85Å; W6-L18 HydrophobicContact CE3-CG 4.04Å; W6-L18 HydrophobicContact CZ3-CD2 4.42Å; W6-L18 HydrophobicContact CZ3-CG 4.44Å; W6-L18 WeakPolarHBondContact O-CD1 3.24Å; D14-L18 WeakPolarHBondContact O-CG 3.46Å; D14-L18 PolarHBondContact O-N 3.46Å; V15-L18 WeakPolarHBondContact O-CB 3.33Å; V15-L18 PolarHBondContact O-N 3.06Å; V15-L18 VanDerWaalsContact O-N 3.15Å; L18-L21 PolarHBondContact O-N 2.79Å; L18-F22 VanDerWaalsContact O-CB 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.37Å; L18-F22 PolarHBondContact O-N 3Å; L18-F102 VanDerWaalsContact C-CE2 3.46Å; L18-F102 HydrophobicContact CB-CD1 4.04Å; L18-F102 HydrophobicContact CB-CD2 3.99Å; L18-F102 HydrophobicContact CB-CE1 3.74Å; L18-F102 HydrophobicContact CB-CE2 3.68Å; L18-F102 HydrophobicContact CB-CG 4.18Å; L18-F102 HydrophobicContact CB-CZ 3.57Å; L18-F102 HydrophobicContact CD1-CD1 3.9Å; L18-F102 HydrophobicContact CD1-CE1 3.83Å; L18-F102 HydrophobicContact CD1-CZ 4.49Å; L18-F102 HydrophobicContact CD2-CE1 4.45Å; L18-F102 HydrophobicContact CG-CE1 4.23Å; L18-F102 HydrophobicContact CG-CZ 4.41Å; L18-F102 WeakPolarHBondContact O-CE2 3.18Å |
| 19 | Y | 98.7 | Very high | 97.8 | Very high | 9 Ų | 9 | 31.6 Ų | 31.6 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 173.6 | -84.8 | -72.8 | 0 | 0 | 0 | 112.8 | V15 G16 T17 G23 P72 G76 S101 F102 L105 | V15-Y19 HydrophobicContact CG1-CD2 3.87Å; V15-Y19 HydrophobicContact CG1-CE2 3.66Å; V15-Y19 VanDerWaalsContact O-CD2 3.29Å; V15-Y19 WeakPolarHBondContact O-CD2 3.28Å; V15-Y19 PolarHBondContact O-N 3.02Å; G16-Y19 PolarHBondContact O-N 3.19Å; T17-Y19 VanDerWaalsContact C-N 3.34Å; T17-Y19 PolarHBondContact O-N 3.46Å; Y19-G23 PolarHBondContact O-N 3.37Å; Y19-P72 HydrophobicContact CD1-CB 4.03Å; Y19-G76 VanDerWaalsContact CB-C 3.42Å; Y19-G76 VanDerWaalsContact CD2-O 3.29Å; Y19-G76 WeakPolarHBondContact CD2-O 3.34Å; Y19-G76 VanDerWaalsContact CG-C 3.44Å; Y19-G76 VanDerWaalsContact CG-CA 3.47Å; Y19-S101 WeakPolarHBondContact OH-CB 3.35Å; Y19-S101 PolarHBondContact OH-O 2.9Å; Y19-S101 PolarHBondContact OH-OG 3.44Å; Y19-F102 AromaticContact CD1-CD2 3.9Å; Y19-F102 HydrophobicContact CD1-CD2 3.9Å; Y19-F102 HydrophobicContact CD2-CB 4.27Å; Y19-F102 HydrophobicContact CD2-CD2 4.08Å; Y19-F102 HydrophobicContact CE1-CB 4.36Å; Y19-F102 HydrophobicContact CE1-CD2 4.09Å; Y19-F102 HydrophobicContact CE2-CB 3.68Å; Y19-F102 HydrophobicContact CE2-CD2 4.24Å; Y19-F102 HydrophobicContact CE2-CG 4.42Å; Y19-F102 AromaticContact CG-CD2 3.9Å; Y19-F102 HydrophobicContact CG-CD2 3.9Å; Y19-F102 WeakPolarHBondContact OH-CA 3.4Å; Y19-F102 PolarHBondContact OH-N 2.93Å; Y19-L105 HydrophobicContact CD1-CD1 3.87Å; Y19-L105 HydrophobicContact CE1-CD1 3.44Å; Y19-L105 VanDerWaalsContact CE1-CD1 3.44Å |
| 20 | L | 98.5 | Very high | 97.9 | Very high | 30 Ų | 30 | 31.4 Ų | 31.4 | 16% | 0.157 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.1 | -43.9 | 177.7 | -70 | 175.3 | 0 | 0 | 0 | 111.9 | G16 T17 A24 I73 F78 F400 | G16-L20 WeakPolarHBondContact O-CG 3.43Å; G16-L20 PolarHBondContact O-N 3.37Å; T17-L20 PolarHBondContact O-N 3.02Å; L20-A24 VanDerWaalsContact O-CB 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.25Å; L20-A24 PolarHBondContact O-N 3.4Å; L20-I73 HydrophobicContact CD2-CG2 3.93Å; L20-F78 HydrophobicContact CD2-CE2 4.43Å; L20-F400 HydrophobicContact CD1-CD2 4.16Å; L20-F400 HydrophobicContact CD1-CE2 4.12Å |
| 21 | L | 98.3 | Very high | 97.9 | Very high | 110 Ų | 110 | 29.8 Ų | 29.8 | 58% | 0.576 | 16% | 0.159 | S | C | * | . | H | α-helix | trans | -66.7 | -46 | 178.6 | -69.5 | 175.5 | 0 | 0 | 0 | 112 | T17 L18 A24 W25 | T17-L21 HydrophobicContact CG2-CD1 4.17Å; T17-L21 HydrophobicContact CG2-CG 4.41Å; T17-L21 WeakPolarHBondContact O-CG 3.28Å; T17-L21 PolarHBondContact O-N 3.48Å; L18-L21 PolarHBondContact O-N 2.79Å; L21-A24 PolarHBondContact O-N 3.4Å; L21-W25 PolarHBondContact O-N 3.4Å |
| 22 | F | 98.6 | Very high | 98 | Very high | 26 Ų | 26 | 31.4 Ų | 31.4 | 11% | 0.114 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60 | -49.2 | 176.7 | 175.7 | -94.7 | 0 | 0 | 0 | 111.3 | L18 A24 W25 A26 F68 P72 F102 L105 P106 L109 | L18-F22 VanDerWaalsContact O-CB 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.37Å; L18-F22 PolarHBondContact O-N 3Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.05Å; F22-W25 PolarHBondContact O-N 3.27Å; F22-A26 WeakPolarHBondContact O-CB 3.23Å; F22-A26 PolarHBondContact O-N 3.04Å; F22-F68 HydrophobicContact CE1-CB 4.15Å; F22-F68 AromaticContact CE1-CD1 3.9Å; F22-F68 HydrophobicContact CE1-CD1 3.9Å; F22-F68 HydrophobicContact CZ-CB 4.48Å; F22-F68 AromaticContact CZ-CD1 3.76Å; F22-F68 HydrophobicContact CZ-CD1 3.76Å; F22-P72 HydrophobicContact CD1-CB 4.23Å; F22-P72 HydrophobicContact CD1-CG 4.39Å; F22-P72 HydrophobicContact CE1-CG 4.33Å; F22-F102 HydrophobicContact CB-CE2 3.83Å; F22-F102 HydrophobicContact CB-CZ 4.34Å; F22-F102 HydrophobicContact CG-CE2 4.3Å; F22-L105 HydrophobicContact CD1-CB 4.44Å; F22-L105 HydrophobicContact CD1-CD1 4.26Å; F22-L105 HydrophobicContact CE1-CB 3.84Å; F22-L105 HydrophobicContact CE1-CD1 4.08Å; F22-L105 HydrophobicContact CE2-CB 4.47Å; F22-L105 HydrophobicContact CZ-CB 3.83Å; F22-P106 HydrophobicContact CD2-CG 4.33Å; F22-P106 HydrophobicContact CE2-CB 4.44Å; F22-P106 HydrophobicContact CE2-CG 4.21Å; F22-L109 HydrophobicContact CE2-CB 4.3Å; F22-L109 HydrophobicContact CE2-CD2 3.72Å; F22-L109 HydrophobicContact CZ-CB 3.92Å; F22-L109 HydrophobicContact CZ-CD2 3.61Å; F22-L109 HydrophobicContact CZ-CG 4.42Å |
| 23 | G | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y19 G27 F68 | Y19-G23 PolarHBondContact O-N 3.37Å; G23-G27 PolarHBondContact O-N 3.4Å; G23-F68 WeakPolarHBondContact CA-O 3.27Å |
| 24 | A | 97.6 | Very high | 98 | Very high | 54 Ų | 54 | 33.7 Ų | 33.7 | 45% | 0.446 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.5 | -44 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L20 L21 F22 G27 V28 | L20-A24 VanDerWaalsContact O-CB 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.25Å; L20-A24 PolarHBondContact O-N 3.4Å; L21-A24 PolarHBondContact O-N 3.4Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.05Å; A24-G27 PolarHBondContact O-N 3.08Å; A24-V28 PolarHBondContact O-N 2.87Å; A24-V28 VanDerWaalsContact O-N 3.08Å |
| 25 | W | 98 | Very high | 98 | Very high | 154 Ų | 154 | 34.4 Ų | 34.4 | 58% | 0.583 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -62.8 | -47.9 | 176.2 | -174.5 | 89.8 | 0 | 0 | 0 | 111.8 | L21 F22 G27 V28 L29 L109 L113 | L21-W25 PolarHBondContact O-N 3.4Å; F22-W25 PolarHBondContact O-N 3.27Å; W25-G27 VanDerWaalsContact C-N 3.27Å; W25-G27 PolarHBondContact O-N 3.4Å; W25-V28 PolarHBondContact O-N 3.45Å; W25-L29 HydrophobicContact CH2-CD2 3.99Å; W25-L29 HydrophobicContact CZ3-CD2 3.81Å; W25-L29 PolarHBondContact O-N 2.98Å; W25-L29 VanDerWaalsContact O-N 3.12Å; W25-L109 HydrophobicContact CE3-CD2 4.04Å; W25-L109 HydrophobicContact CZ3-CD2 3.65Å; W25-L113 HydrophobicContact CH2-CD1 4.34Å |
| 26 | A | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F22 L29 G30 V64 F68 L109 | F22-A26 WeakPolarHBondContact O-CB 3.23Å; F22-A26 PolarHBondContact O-N 3.04Å; A26-L29 WeakPolarHBondContact O-CB 3.31Å; A26-L29 PolarHBondContact O-N 3.47Å; A26-G30 PolarHBondContact O-N 3.19Å; A26-V64 HydrophobicContact CB-CG1 4.27Å; A26-V64 WeakPolarHBondContact O-CG1 3.48Å; A26-F68 HydrophobicContact CB-CB 3.86Å; A26-F68 VanDerWaalsContact CB-O 3.32Å; A26-F68 WeakPolarHBondContact CB-O 3.37Å; A26-L109 HydrophobicContact CB-CD2 4.34Å |
| 27 | G | 97.2 | Very high | 98 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 8% | 0.082 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.4 | -39.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G23 A24 W25 G30 T31 | G23-G27 PolarHBondContact O-N 3.4Å; A24-G27 PolarHBondContact O-N 3.08Å; W25-G27 VanDerWaalsContact C-N 3.27Å; W25-G27 PolarHBondContact O-N 3.4Å; G27-G30 PolarHBondContact O-N 2.74Å; G27-T31 WeakPolarHBondContact O-CB 3.46Å; G27-T31 PolarHBondContact O-N 3.45Å; G27-T31 PolarHBondContact O-OG1 3.25Å |
| 28 | V | 97.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 38.2 Ų | 38.2 | 45% | 0.448 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64 | -43.8 | 173.3 | 174.1 | 0 | 0 | 0 | 0 | 110.5 | A24 W25 T31 A32 | A24-V28 PolarHBondContact O-N 2.87Å; A24-V28 VanDerWaalsContact O-N 3.08Å; W25-V28 PolarHBondContact O-N 3.45Å; V28-T31 PolarHBondContact O-N 3.36Å; V28-A32 PolarHBondContact O-N 3.47Å |
| 29 | L | 98.1 | Very high | 97.9 | Very high | 44 Ų | 44 | 38.7 Ų | 38.7 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.2 | -47.8 | 175.7 | 178.1 | 60 | 0 | 0 | 0 | 112.1 | W25 A26 T31 A32 L33 L113 | W25-L29 HydrophobicContact CH2-CD2 3.99Å; W25-L29 HydrophobicContact CZ3-CD2 3.81Å; W25-L29 PolarHBondContact O-N 2.98Å; W25-L29 VanDerWaalsContact O-N 3.12Å; A26-L29 WeakPolarHBondContact O-CB 3.31Å; A26-L29 PolarHBondContact O-N 3.47Å; L29-T31 VanDerWaalsContact C-N 3.29Å; L29-T31 PolarHBondContact O-N 2.9Å; L29-A32 WeakPolarHBondContact O-CB 3.38Å; L29-A32 PolarHBondContact O-N 3.01Å; L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 3.29Å; L29-L113 HydrophobicContact CD2-CD1 3.85Å; L29-L113 HydrophobicContact CD2-CD2 3.7Å; L29-L113 HydrophobicContact CD2-CG 4.38Å |
| 30 | G | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.9 | -37.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A26 G27 L33 S34 H61 | A26-G30 PolarHBondContact O-N 3.19Å; G27-G30 PolarHBondContact O-N 2.74Å; G30-L33 PolarHBondContact O-N 2.9Å; G30-S34 PolarHBondContact O-N 3.35Å; G30-H61 PolarHBondContact O-ND1 3.01Å |
| 31 | T | 96.5 | Very high | 97.7 | Very high | 33 Ų | 33 | 37 Ų | 37 | 20% | 0.202 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.8 | -41.7 | 174 | -57 | 0 | 0 | 0 | 0 | 111.4 | G27 V28 L29 L33 S34 L35 V465 | G27-T31 WeakPolarHBondContact O-CB 3.46Å; G27-T31 PolarHBondContact O-N 3.45Å; G27-T31 PolarHBondContact O-OG1 3.25Å; V28-T31 PolarHBondContact O-N 3.36Å; L29-T31 VanDerWaalsContact C-N 3.29Å; L29-T31 PolarHBondContact O-N 2.9Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 3.19Å; T31-S34 WeakPolarHBondContact O-CB 3.29Å; T31-S34 PolarHBondContact O-N 3.04Å; T31-S34 VanDerWaalsContact O-N 3.14Å; T31-L35 HydrophobicContact CG2-CD1 4.3Å; T31-L35 WeakPolarHBondContact O-CG 3.33Å; T31-L35 PolarHBondContact O-N 2.83Å; T31-V465 HydrophobicContact CG2-CG2 4.39Å |
| 32 | A | 97.9 | Very high | 97.6 | Very high | 47 Ų | 47 | 32.6 Ų | 32.6 | 39% | 0.388 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.8 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V28 L29 S34 L35 L36 | V28-A32 PolarHBondContact O-N 3.47Å; L29-A32 WeakPolarHBondContact O-CB 3.38Å; L29-A32 PolarHBondContact O-N 3.01Å; A32-S34 VanDerWaalsContact C-N 3.34Å; A32-S34 PolarHBondContact O-N 2.84Å; A32-L35 PolarHBondContact O-N 3Å; A32-L36 PolarHBondContact O-N 3.4Å; A32-L36 VanDerWaalsContact O-N 3.14Å |
| 33 | L | 98.2 | Very high | 97.4 | Very high | 26 Ų | 26 | 37.3 Ų | 37.3 | 14% | 0.136 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 174 | -63.1 | 170.6 | 0 | 0 | 0 | 111.8 | L29 G30 T31 L35 L36 I37 I57 A60 H61 V64 | L29-L33 WeakPolarHBondContact O-CG 3.37Å; L29-L33 PolarHBondContact O-N 3.29Å; G30-L33 PolarHBondContact O-N 2.9Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 3.19Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 3.28Å; L33-L36 PolarHBondContact O-N 3.07Å; L33-I37 WeakPolarHBondContact O-CG1 2.99Å; L33-I37 PolarHBondContact O-N 3.46Å; L33-I37 VanDerWaalsContact O-N 3.12Å; L33-I57 HydrophobicContact CB-CG2 4.09Å; L33-I57 HydrophobicContact CD2-CG2 4.02Å; L33-A60 HydrophobicContact CD1-CB 3.85Å; L33-H61 HydrophobicContact CB-CB 3.86Å; L33-H61 HydrophobicContact CD1-CB 4.46Å; L33-V64 HydrophobicContact CD1-CG2 4.41Å |
| 34 | S | 97.8 | Very high | 97.2 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 18% | 0.182 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.1 | -161.9 | 0 | 0 | 0 | 0 | 112.5 | G30 T31 A32 L36 I37 R38 H61 | G30-S34 PolarHBondContact O-N 3.35Å; T31-S34 WeakPolarHBondContact O-CB 3.29Å; T31-S34 PolarHBondContact O-N 3.04Å; T31-S34 VanDerWaalsContact O-N 3.14Å; A32-S34 VanDerWaalsContact C-N 3.34Å; A32-S34 PolarHBondContact O-N 2.84Å; S34-L36 VanDerWaalsContact C-N 3.35Å; S34-I37 WeakPolarHBondContact O-CB 3.39Å; S34-I37 PolarHBondContact O-N 3.45Å; S34-R38 WeakPolarHBondContact O-CG 3.03Å; S34-R38 PolarHBondContact O-N 3.4Å; S34-H61 VanDerWaalsContact CB-CE1 3.47Å; S34-H61 WeakPolarHBondContact CB-CE1 3.29Å |
| 35 | L | 97.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 38 Ų | 38 | 13% | 0.131 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66 | -37.3 | 177.9 | -71 | 165.5 | 0 | 0 | 0 | 112.1 | T31 A32 L33 R38 A39 F459 L462 | T31-L35 HydrophobicContact CG2-CD1 4.3Å; T31-L35 WeakPolarHBondContact O-CG 3.33Å; T31-L35 PolarHBondContact O-N 2.83Å; A32-L35 PolarHBondContact O-N 3Å; L33-L35 VanDerWaalsContact C-N 3.32Å; L33-L35 PolarHBondContact O-N 3.28Å; L35-R38 PolarHBondContact O-N 3.25Å; L35-A39 VanDerWaalsContact O-CB 3.24Å; L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 3.47Å; L35-F459 HydrophobicContact CD2-CD1 4.2Å; L35-F459 HydrophobicContact CD2-CE1 4.34Å; L35-L462 HydrophobicContact CD1-CB 4.19Å; L35-L462 HydrophobicContact CD1-CD1 3.83Å; L35-L462 HydrophobicContact CD1-CD2 3.73Å; L35-L462 HydrophobicContact CD1-CG 4.1Å; L35-L462 HydrophobicContact CD2-CB 4.15Å; L35-L462 HydrophobicContact CD2-CD2 4.37Å |
| 36 | L | 97.7 | Very high | 96.4 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 44% | 0.435 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.6 | -43.4 | 173.1 | -66.7 | 175.4 | 0 | 0 | 0 | 111.3 | A32 L33 S34 R38 A39 E40 I57 | A32-L36 PolarHBondContact O-N 3.4Å; A32-L36 VanDerWaalsContact O-N 3.14Å; L33-L36 PolarHBondContact O-N 3.07Å; S34-L36 VanDerWaalsContact C-N 3.35Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 2.84Å; L36-A39 PolarHBondContact O-N 3.32Å; L36-E40 PolarHBondContact O-N 3.03Å; L36-I57 HydrophobicContact CB-CD1 4.5Å; L36-I57 HydrophobicContact CB-CG2 4.29Å; L36-I57 HydrophobicContact CD1-CD1 4.26Å |
| 37 | I | 98.1 | Very high | 96.1 | Very high | 20 Ų | 20 | 39.7 Ų | 39.7 | 10% | 0.103 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.8 | -45.1 | 175.4 | -63.6 | 162.4 | 0 | 0 | 0 | 110.6 | L33 S34 E40 L41 Y54 I57 V58 H61 | L33-I37 WeakPolarHBondContact O-CG1 2.99Å; L33-I37 PolarHBondContact O-N 3.46Å; L33-I37 VanDerWaalsContact O-N 3.12Å; S34-I37 WeakPolarHBondContact O-CB 3.39Å; S34-I37 PolarHBondContact O-N 3.45Å; I37-E40 PolarHBondContact O-N 3.48Å; I37-L41 HydrophobicContact CG2-CD1 3.99Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 3.41Å; I37-Y54 HydrophobicContact CB-CE2 4.42Å; I37-Y54 HydrophobicContact CG2-CE2 3.88Å; I37-I57 HydrophobicContact CD1-CG2 4.13Å; I37-I57 HydrophobicContact CG1-CG2 3.73Å; I37-V58 HydrophobicContact CD1-CB 4.33Å; I37-V58 HydrophobicContact CD1-CG2 3.79Å; I37-V58 HydrophobicContact CG1-CG2 3.88Å; I37-V58 HydrophobicContact CG2-CG2 4.38Å; I37-H61 HydrophobicContact CD1-CB 3.9Å |
| 38 | R | 97.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 4% | 0.038 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.5 | -27.7 | -179.7 | -66.9 | -48.4 | -48.4 | 168.9 | 10.3 | 113.4 | S34 L35 L36 G42 N451 S454 S455 | S34-R38 WeakPolarHBondContact O-CG 3.03Å; S34-R38 PolarHBondContact O-N 3.4Å; L35-R38 PolarHBondContact O-N 3.25Å; L36-R38 VanDerWaalsContact C-N 3.34Å; L36-R38 PolarHBondContact O-N 2.84Å; R38-G42 PolarHBondContact O-N 3.27Å; R38-G42 VanDerWaalsContact O-N 3.1Å; R38-N451 PolarHBondContact NH2-O 3.46Å; R38-N451 PolarHBondContact NH2-OD1 3.16Å; R38-N451 VanDerWaalsContact NH2-OD1 3.11Å; R38-S454 VanDerWaalsContact CZ-OG 3.23Å; R38-S454 VanDerWaalsContact NH2-CB 3.34Å; R38-S454 PolarHBondContact NH2-OG 2.97Å; R38-S455 PolarHBondContact NE-OG 2.88Å; R38-S455 PolarHBondContact NH2-OG 3.13Å; R38-S455 WeakPolarHBondContact O-CB 3.4Å; R38-S455 PolarHBondContact O-OG 3.35Å |
| 39 | A | 96.7 | Very high | 95.7 | Very high | 33 Ų | 33 | 41.6 Ų | 41.6 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68.4 | -44.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L35 L36 L41 G42 L47 | L35-A39 VanDerWaalsContact O-CB 3.24Å; L35-A39 WeakPolarHBondContact O-CB 3.21Å; L35-A39 PolarHBondContact O-N 3.47Å; L36-A39 PolarHBondContact O-N 3.32Å; A39-L41 PolarHBondContact O-N 3.47Å; A39-G42 PolarHBondContact O-N 3.05Å; A39-L47 HydrophobicContact CB-CD2 4.09Å |
| 40 | E | 97.3 | Very high | 95.5 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.4 | -51.3 | 173.8 | -170.9 | 65.7 | -166.5 | 0 | 0 | 110.7 | L36 I37 G42 N46 L47 L48 Y54 | L36-E40 PolarHBondContact O-N 3.03Å; I37-E40 PolarHBondContact O-N 3.48Å; E40-G42 PolarHBondContact O-N 2.89Å; E40-G42 VanDerWaalsContact O-N 3.16Å; E40-N46 WeakPolarHBondContact OE1-CA 3.07Å; E40-L47 PolarHBondContact OE1-N 2.68Å; E40-L47 WeakPolarHBondContact OE2-CA 3.33Å; E40-L47 VanDerWaalsContact OE2-CB 3.23Å; E40-L47 WeakPolarHBondContact OE2-CB 3.43Å; E40-L47 PolarHBondContact OE2-N 2.78Å; E40-L48 HydrophobicContact CB-CD1 4.39Å; E40-L48 HydrophobicContact CG-CD1 4.35Å; E40-L48 PolarHBondContact OE1-N 3.19Å; E40-L48 VanDerWaalsContact OE2-CB 3.32Å; E40-L48 WeakPolarHBondContact OE2-CB 3.45Å; E40-L48 WeakPolarHBondContact OE2-CG 3.47Å; E40-L48 PolarHBondContact OE2-N 2.73Å; E40-Y54 HydrophobicContact CB-CD2 4.16Å; E40-Y54 HydrophobicContact CB-CE2 4.32Å; E40-Y54 HydrophobicContact CG-CD2 3.9Å; E40-Y54 HydrophobicContact CG-CE2 4.28Å |
| 41 | L | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 4.5 | -177.8 | -62.3 | 171.4 | 0 | 0 | 0 | 114 | I37 A39 Q43 Y54 Y371 Y443 N451 | I37-L41 HydrophobicContact CG2-CD1 3.99Å; I37-L41 WeakPolarHBondContact O-CG 3.45Å; I37-L41 PolarHBondContact O-N 3.41Å; A39-L41 PolarHBondContact O-N 3.47Å; L41-Q43 PolarHBondContact O-N 3.23Å; L41-Y54 WeakPolarHBondContact CD1-OH 3.44Å; L41-Y54 HydrophobicContact CG-CE2 4.28Å; L41-Y371 WeakPolarHBondContact CD1-OH 3.38Å; L41-Y443 HydrophobicContact CB-CE1 4.21Å; L41-Y443 HydrophobicContact CD2-CD1 3.94Å; L41-Y443 HydrophobicContact CD2-CE1 4.11Å; L41-Y443 VanDerWaalsContact O-CE1 3.25Å; L41-Y443 WeakPolarHBondContact O-CE1 3.41Å; L41-Y443 PolarHBondContact O-OH 2.96Å; L41-N451 WeakPolarHBondContact O-CB 3.34Å |
| 42 | G | 95.1 | Very high | 95.3 | Very high | 19 Ų | 19 | 47.6 Ų | 47.6 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -26 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | R38 A39 E40 I452 | R38-G42 PolarHBondContact O-N 3.27Å; R38-G42 VanDerWaalsContact O-N 3.1Å; A39-G42 PolarHBondContact O-N 3.05Å; E40-G42 PolarHBondContact O-N 2.89Å; E40-G42 VanDerWaalsContact O-N 3.16Å; G42-I452 WeakPolarHBondContact O-CG1 3.35Å |
| 43 | Q | 93.7 | Very high | 95.3 | Very high | 124 Ų | 124 | 49 Ų | 49 | 58% | 0.579 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -150 | 158.3 | 177 | 61.7 | -173.4 | -5.4 | 0 | 0 | 109.2 | L41 Y443 | L41-Q43 PolarHBondContact O-N 3.23Å; Q43-Y443 VanDerWaalsContact C-OH 3.29Å; Q43-Y443 VanDerWaalsContact CA-OH 3.32Å; Q43-Y443 WeakPolarHBondContact CA-OH 3.25Å; Q43-Y443 PolarHBondContact N-OH 2.83Å |
| 44 | P | 94.2 | Very high | 95.2 | Very high | 40 Ų | 40 | 48 Ų | 48 | 26% | 0.26 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -59.5 | 148.3 | 170.1 | -22.3 | 32.7 | 0 | 0 | 0 | 112.3 | Y443 D445 T448 | P44-Y443 HydrophobicContact CG-CD2 4.37Å; P44-Y443 HydrophobicContact CG-CE2 3.77Å; P44-D445 WeakPolarHBondContact CB-OD1 3.25Å; P44-D445 VanDerWaalsContact CG-OD1 3.31Å; P44-D445 WeakPolarHBondContact CG-OD1 3.25Å; P44-T448 HydrophobicContact CG-CG2 4.37Å; P44-T448 WeakPolarHBondContact CG-OG1 3.09Å |
| 45 | G | 91.9 | Very high | 95.2 | Very high | 30 Ų | 30 | 48.7 Ų | 48.7 | 31% | 0.309 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 93.8 | 164 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114 | D442 | G45-D442 PolarHBondContact N-OD1 3.07Š|
| 46 | N | 87.9 | Confident | 95.3 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 42% | 0.422 | 28% | 0.281 | S | S | . | . | trans | -87.5 | 117.1 | -172.5 | -69.8 | -6.9 | 0 | 0 | 0 | 112.3 | E40 D51 | E40-N46 WeakPolarHBondContact OE1-CA 3.07Å; N46-D51 PolarHBondContact ND2-OD1 3.31Å | ||
| 47 | L | 92.6 | Very high | 95.3 | Very high | 110 Ų | 110 | 45.2 Ų | 45.2 | 58% | 0.576 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -86.9 | -43.4 | 172.4 | 167.6 | 74.8 | 0 | 0 | 0 | 111.1 | A39 E40 G49 | A39-L47 HydrophobicContact CB-CD2 4.09Å; E40-L47 PolarHBondContact OE1-N 2.68Å; E40-L47 WeakPolarHBondContact OE2-CA 3.33Å; E40-L47 VanDerWaalsContact OE2-CB 3.23Å; E40-L47 WeakPolarHBondContact OE2-CB 3.43Å; E40-L47 PolarHBondContact OE2-N 2.78Å; L47-G49 VanDerWaalsContact C-N 3.3Å |
| 48 | L | 93 | Very high | 95.3 | Very high | 62 Ų | 62 | 45.6 Ų | 45.6 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -74.1 | -22.4 | 176.9 | -75.2 | 169.6 | 0 | 0 | 0 | 112.3 | E40 N50 I57 | E40-L48 HydrophobicContact CB-CD1 4.39Å; E40-L48 HydrophobicContact CG-CD1 4.35Å; E40-L48 PolarHBondContact OE1-N 3.19Å; E40-L48 VanDerWaalsContact OE2-CB 3.32Å; E40-L48 WeakPolarHBondContact OE2-CB 3.45Å; E40-L48 WeakPolarHBondContact OE2-CG 3.47Å; E40-L48 PolarHBondContact OE2-N 2.73Å; L48-N50 PolarHBondContact O-N 3.47Å; L48-I57 HydrophobicContact CD1-CD1 3.86Å; L48-I57 HydrophobicContact CD2-CD1 4.46Å |
| 49 | G | 92.9 | Very high | 95.3 | Very high | 59 Ų | 59 | 45.2 Ų | 45.2 | 61% | 0.608 | 27% | 0.268 | S | S | * | . | S | Bend | trans | 72.5 | 4.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L47 | L47-G49 VanDerWaalsContact C-N 3.3Š|
| 50 | N | 94.2 | Very high | 95.4 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 38% | 0.38 | 26% | 0.258 | S | S | . | . | trans | -149.5 | 113.6 | 178.3 | -174.6 | -34 | 0 | 0 | 0 | 111.9 | L48 H52 I53 Y54 | L48-N50 PolarHBondContact O-N 3.47Å; N50-H52 VanDerWaalsContact C-N 3.3Å; N50-H52 PolarHBondContact O-N 2.73Å; N50-H52 WeakPolarHBondContact OD1-CA 3.35Å; N50-H52 VanDerWaalsContact OD1-CB 3.28Å; N50-H52 WeakPolarHBondContact OD1-CB 3.26Å; N50-H52 PolarHBondContact OD1-N 3.2Å; N50-I53 HydrophobicContact CB-CB 4.2Å; N50-I53 HydrophobicContact CB-CD1 3.87Å; N50-I53 HydrophobicContact CB-CG1 3.97Å; N50-I53 PolarHBondContact O-N 2.93Å; N50-I53 PolarHBondContact OD1-N 3.02Å; N50-Y54 PolarHBondContact O-N 2.98Å | ||
| 51 | D | 94.6 | Very high | 95.5 | Very high | 77 Ų | 77 | 45.2 Ų | 45.2 | 41% | 0.412 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65 | -31.1 | -177.8 | -56.4 | -21.1 | 0 | 0 | 0 | 113.2 | N46 Y54 N55 S441 | N46-D51 PolarHBondContact ND2-OD1 3.31Å; D51-Y54 WeakPolarHBondContact O-CB 3.45Å; D51-Y54 PolarHBondContact O-N 3.39Å; D51-N55 PolarHBondContact O-N 3.24Å; D51-N55 VanDerWaalsContact O-N 3.1Å; D51-N55 PolarHBondContact O-ND2 3.47Å; D51-S441 WeakPolarHBondContact CB-OG 3.21Å; D51-S441 PolarHBondContact OD1-OG 3Å |
| 52 | H | 95.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 46 Ų | 46 | 26% | 0.259 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 176.9 | -176.5 | 68.9 | 0 | 0 | 0 | 111.1 | N50 Y54 N55 V56 A120 G121 H138 | N50-H52 VanDerWaalsContact C-N 3.3Å; N50-H52 PolarHBondContact O-N 2.73Å; N50-H52 WeakPolarHBondContact OD1-CA 3.35Å; N50-H52 VanDerWaalsContact OD1-CB 3.28Å; N50-H52 WeakPolarHBondContact OD1-CB 3.26Å; N50-H52 PolarHBondContact OD1-N 3.2Å; H52-Y54 VanDerWaalsContact C-N 3.27Å; H52-Y54 PolarHBondContact O-N 2.96Å; H52-N55 PolarHBondContact O-N 2.9Å; H52-V56 WeakPolarHBondContact O-CG2 3.42Å; H52-V56 PolarHBondContact O-N 3.21Å; H52-A120 PolarHBondContact CD2-O 3.42Å; H52-A120 PolarHBondContact NE2-O 2.84Å; H52-G121 PolarHBondContact NE2-O 3.32Å; H52-H138 AromaticContact CE1-NE2 3.48Å; H52-H138 PolarHBondContact CE1-NE2 2.86Å |
| 53 | I | 96.6 | Very high | 95.6 | Very high | 77 Ų | 77 | 45.2 Ų | 45.2 | 40% | 0.395 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -59.8 | -41.4 | 175.3 | -66 | 179.8 | 0 | 0 | 0 | 110.3 | N50 N55 V56 I57 | N50-I53 HydrophobicContact CB-CB 4.2Å; N50-I53 HydrophobicContact CB-CD1 3.87Å; N50-I53 HydrophobicContact CB-CG1 3.97Å; N50-I53 PolarHBondContact O-N 2.93Å; N50-I53 PolarHBondContact OD1-N 3.02Å; I53-N55 VanDerWaalsContact C-N 3.33Å; I53-N55 PolarHBondContact O-N 3.4Å; I53-V56 PolarHBondContact O-N 3.17Å; I53-I57 HydrophobicContact CG2-CD1 3.87Å; I53-I57 HydrophobicContact CG2-CG1 4.38Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 2.98Å |
| 54 | Y | 97.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.016 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.6 | -46.9 | 173.4 | 170.9 | -94.5 | 0 | 0 | 0 | 111.7 | I37 E40 L41 N50 D51 H52 V56 I57 V58 Y440 | I37-Y54 HydrophobicContact CB-CE2 4.42Å; I37-Y54 HydrophobicContact CG2-CE2 3.88Å; E40-Y54 HydrophobicContact CB-CD2 4.16Å; E40-Y54 HydrophobicContact CB-CE2 4.32Å; E40-Y54 HydrophobicContact CG-CD2 3.9Å; E40-Y54 HydrophobicContact CG-CE2 4.28Å; L41-Y54 WeakPolarHBondContact CD1-OH 3.44Å; L41-Y54 HydrophobicContact CG-CE2 4.28Å; N50-Y54 PolarHBondContact O-N 2.98Å; D51-Y54 WeakPolarHBondContact O-CB 3.45Å; D51-Y54 PolarHBondContact O-N 3.39Å; H52-Y54 VanDerWaalsContact C-N 3.27Å; H52-Y54 PolarHBondContact O-N 2.96Å; Y54-V56 VanDerWaalsContact C-N 3.35Å; Y54-V56 PolarHBondContact O-N 3.32Å; Y54-I57 PolarHBondContact O-N 3.47Å; Y54-V58 HydrophobicContact CD1-CG2 4.13Å; Y54-V58 HydrophobicContact CD2-CG2 4.42Å; Y54-V58 HydrophobicContact CE1-CG2 3.75Å; Y54-V58 HydrophobicContact CE2-CG2 4.07Å; Y54-V58 HydrophobicContact CG-CG2 4.46Å; Y54-V58 VanDerWaalsContact O-CG2 3.3Å; Y54-V58 WeakPolarHBondContact O-CG2 3.16Å; Y54-V58 PolarHBondContact O-N 3.36Å; Y54-Y440 VanDerWaalsContact CE1-C 3.4Å; Y54-Y440 VanDerWaalsContact CE1-O 3.22Å; Y54-Y440 WeakPolarHBondContact CE1-O 3.35Å; Y54-Y440 PolarHBondContact OH-O 3.04Å |
| 55 | N | 97.8 | Very high | 96 | Very high | 41 Ų | 41 | 39 Ų | 39 | 22% | 0.219 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -34.4 | 177.7 | -75.1 | -40.3 | 0 | 0 | 0 | 113.5 | D51 H52 I53 V58 T59 R439 | D51-N55 PolarHBondContact O-N 3.24Å; D51-N55 VanDerWaalsContact O-N 3.1Å; D51-N55 PolarHBondContact O-ND2 3.47Å; H52-N55 PolarHBondContact O-N 2.9Å; I53-N55 VanDerWaalsContact C-N 3.33Å; I53-N55 PolarHBondContact O-N 3.4Å; N55-V58 PolarHBondContact O-N 3.15Å; N55-T59 VanDerWaalsContact O-CB 3.31Å; N55-T59 WeakPolarHBondContact O-CB 3.37Å; N55-T59 PolarHBondContact O-N 3.07Å; N55-T59 PolarHBondContact O-OG1 3.24Å; N55-R439 PolarHBondContact OD1-O 2.99Å |
| 56 | V | 98.2 | Very high | 96.2 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.079 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.4 | -45.1 | 171.9 | 174.8 | 0 | 0 | 0 | 0 | 110.5 | H52 I53 Y54 T59 A60 A116 A120 | H52-V56 WeakPolarHBondContact O-CG2 3.42Å; H52-V56 PolarHBondContact O-N 3.21Å; I53-V56 PolarHBondContact O-N 3.17Å; Y54-V56 VanDerWaalsContact C-N 3.35Å; Y54-V56 PolarHBondContact O-N 3.32Å; V56-T59 PolarHBondContact O-N 3.49Å; V56-A60 WeakPolarHBondContact O-CB 3.49Å; V56-A60 PolarHBondContact O-N 3.15Å; V56-A116 HydrophobicContact CG1-CB 3.89Å; V56-A120 WeakPolarHBondContact CG2-O 3.37Å |
| 57 | I | 98.3 | Very high | 96.7 | Very high | 21 Ų | 21 | 34.6 Ų | 34.6 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -44.8 | 177.3 | -66.6 | 167.7 | 0 | 0 | 0 | 110.8 | L33 L36 I37 L48 I53 Y54 T59 A60 H61 | L33-I57 HydrophobicContact CB-CG2 4.09Å; L33-I57 HydrophobicContact CD2-CG2 4.02Å; L36-I57 HydrophobicContact CB-CD1 4.5Å; L36-I57 HydrophobicContact CB-CG2 4.29Å; L36-I57 HydrophobicContact CD1-CD1 4.26Å; I37-I57 HydrophobicContact CD1-CG2 4.13Å; I37-I57 HydrophobicContact CG1-CG2 3.73Å; L48-I57 HydrophobicContact CD1-CD1 3.86Å; L48-I57 HydrophobicContact CD2-CD1 4.46Å; I53-I57 HydrophobicContact CG2-CD1 3.87Å; I53-I57 HydrophobicContact CG2-CG1 4.38Å; I53-I57 VanDerWaalsContact O-CG1 3.31Å; I53-I57 WeakPolarHBondContact O-CG1 3.38Å; I53-I57 PolarHBondContact O-N 2.98Å; Y54-I57 PolarHBondContact O-N 3.47Å; I57-T59 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 3.13Å; I57-A60 PolarHBondContact O-N 3.04Å; I57-H61 VanDerWaalsContact O-CB 3.3Å; I57-H61 WeakPolarHBondContact O-CB 3.42Å; I57-H61 PolarHBondContact O-N 2.77Å |
| 58 | V | 98.3 | Very high | 96.9 | Very high | 28 Ų | 28 | 29.4 Ų | 29.4 | 17% | 0.17 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.6 | -43.7 | 176.1 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | I37 Y54 N55 A62 | I37-V58 HydrophobicContact CD1-CB 4.33Å; I37-V58 HydrophobicContact CD1-CG2 3.79Å; I37-V58 HydrophobicContact CG1-CG2 3.88Å; I37-V58 HydrophobicContact CG2-CG2 4.38Å; Y54-V58 HydrophobicContact CD1-CG2 4.13Å; Y54-V58 HydrophobicContact CD2-CG2 4.42Å; Y54-V58 HydrophobicContact CE1-CG2 3.75Å; Y54-V58 HydrophobicContact CE2-CG2 4.07Å; Y54-V58 HydrophobicContact CG-CG2 4.46Å; Y54-V58 VanDerWaalsContact O-CG2 3.3Å; Y54-V58 WeakPolarHBondContact O-CG2 3.16Å; Y54-V58 PolarHBondContact O-N 3.36Å; N55-V58 PolarHBondContact O-N 3.15Å; V58-A62 PolarHBondContact O-N 3.48Å |
| 59 | T | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 27.1 Ų | 27.1 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.6 | -48.7 | 178.5 | -57.6 | 0 | 0 | 0 | 0 | 111.1 | N55 V56 I57 A62 F63 A122 G125 | N55-T59 VanDerWaalsContact O-CB 3.31Å; N55-T59 WeakPolarHBondContact O-CB 3.37Å; N55-T59 PolarHBondContact O-N 3.07Å; N55-T59 PolarHBondContact O-OG1 3.24Å; V56-T59 PolarHBondContact O-N 3.49Å; I57-T59 VanDerWaalsContact C-N 3.32Å; I57-T59 PolarHBondContact O-N 3.13Å; T59-A62 PolarHBondContact O-N 3.24Å; T59-F63 HydrophobicContact CG2-CD2 3.75Å; T59-F63 HydrophobicContact CG2-CE2 3.5Å; T59-F63 VanDerWaalsContact O-CD2 3.29Å; T59-F63 WeakPolarHBondContact O-CD2 3.29Å; T59-F63 PolarHBondContact O-N 2.71Å; T59-F63 VanDerWaalsContact O-N 3.13Å; T59-A122 WeakPolarHBondContact CB-O 3.37Å; T59-A122 WeakPolarHBondContact CG2-O 3.46Å; T59-A122 PolarHBondContact OG1-O 3.49Å; T59-G125 WeakPolarHBondContact OG1-CA 3.28Å; T59-G125 PolarHBondContact OG1-N 3.39Å |
| 60 | A | 98.4 | Very high | 97.4 | Very high | 9 Ų | 9 | 24.5 Ų | 24.5 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L33 V56 I57 A62 F63 V64 | L33-A60 HydrophobicContact CD1-CB 3.85Å; V56-A60 WeakPolarHBondContact O-CB 3.49Å; V56-A60 PolarHBondContact O-N 3.15Å; I57-A60 PolarHBondContact O-N 3.04Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-A62 PolarHBondContact O-N 3.15Å; A60-F63 PolarHBondContact O-N 2.89Å; A60-V64 VanDerWaalsContact O-CB 3.31Å; A60-V64 WeakPolarHBondContact O-CB 3.39Å; A60-V64 WeakPolarHBondContact O-CG2 3.38Å; A60-V64 PolarHBondContact O-N 2.82Å |
| 61 | H | 98.2 | Very high | 97.5 | Very high | 25 Ų | 25 | 21.5 Ų | 21.5 | 12% | 0.116 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -54.7 | -51.1 | 176.7 | 169 | 69.1 | 0 | 0 | 0 | 111.2 | G30 L33 S34 I37 I57 V64 M65 | G30-H61 PolarHBondContact O-ND1 3.01Å; L33-H61 HydrophobicContact CB-CB 3.86Å; L33-H61 HydrophobicContact CD1-CB 4.46Å; S34-H61 VanDerWaalsContact CB-CE1 3.47Å; S34-H61 WeakPolarHBondContact CB-CE1 3.29Å; I37-H61 HydrophobicContact CD1-CB 3.9Å; I57-H61 VanDerWaalsContact O-CB 3.3Å; I57-H61 WeakPolarHBondContact O-CB 3.42Å; I57-H61 PolarHBondContact O-N 2.77Å; H61-V64 PolarHBondContact O-N 2.59Å; H61-M65 VanDerWaalsContact CE1-CG 3.45Å; H61-M65 WeakPolarHBondContact CE1-CG 3.18Å; H61-M65 WeakPolarHBondContact O-CB 3.48Å; H61-M65 WeakPolarHBondContact O-CG 3.49Å; H61-M65 PolarHBondContact O-N 3.08Å |
| 62 | A | 97.6 | Very high | 97.7 | Very high | 19 Ų | 19 | 18 Ų | 18 | 16% | 0.157 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.9 | -47.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | V58 T59 A60 M65 I66 W126 | V58-A62 PolarHBondContact O-N 3.48Å; T59-A62 PolarHBondContact O-N 3.24Å; A60-A62 VanDerWaalsContact C-N 3.35Å; A60-A62 PolarHBondContact O-N 3.15Å; A62-M65 PolarHBondContact O-N 3.23Å; A62-I66 WeakPolarHBondContact O-CB 3.4Å; A62-I66 WeakPolarHBondContact O-CG1 3.27Å; A62-I66 PolarHBondContact O-N 2.9Å; A62-W126 HydrophobicContact CB-CB 3.59Å; A62-W126 HydrophobicContact CB-CG 4.03Å |
| 63 | F | 98.3 | Very high | 97.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 178.4 | -75.9 | -52.5 | 0 | 0 | 0 | 112.8 | T59 A60 M65 I66 F67 F68 L112 W126 V128 T146 L150 | T59-F63 HydrophobicContact CG2-CD2 3.75Å; T59-F63 HydrophobicContact CG2-CE2 3.5Å; T59-F63 VanDerWaalsContact O-CD2 3.29Å; T59-F63 WeakPolarHBondContact O-CD2 3.29Å; T59-F63 PolarHBondContact O-N 2.71Å; T59-F63 VanDerWaalsContact O-N 3.13Å; A60-F63 PolarHBondContact O-N 2.89Å; F63-M65 PolarHBondContact O-N 3.46Å; F63-I66 PolarHBondContact O-N 3.16Å; F63-F67 AromaticContact CD1-CD2 3.72Å; F63-F67 HydrophobicContact CD1-CD2 3.72Å; F63-F67 AromaticContact CD1-CE2 3.66Å; F63-F67 HydrophobicContact CD1-CE2 3.66Å; F63-F67 HydrophobicContact CE1-CD2 4.49Å; F63-F67 HydrophobicContact CE1-CE2 4.01Å; F63-F67 PolarHBondContact O-N 3.44Å; F63-F68 WeakPolarHBondContact O-CD2 3.41Å; F63-L112 HydrophobicContact CB-CD1 4.02Å; F63-L112 HydrophobicContact CB-CD2 3.58Å; F63-L112 HydrophobicContact CB-CG 4.47Å; F63-L112 HydrophobicContact CD2-CD1 3.9Å; F63-L112 HydrophobicContact CG-CD1 4.21Å; F63-W126 HydrophobicContact CD1-CB 4.46Å; F63-W126 HydrophobicContact CE1-CB 4.17Å; F63-W126 WeakPolarHBondContact CE1-O 3.35Å; F63-W126 HydrophobicContact CE2-CB 4.42Å; F63-W126 HydrophobicContact CZ-CB 4.16Å; F63-W126 WeakPolarHBondContact CZ-O 3.37Å; F63-V128 HydrophobicContact CE2-CG2 4.2Å; F63-V128 HydrophobicContact CZ-CG2 3.63Å; F63-T146 HydrophobicContact CD2-CG2 4.22Å; F63-T146 HydrophobicContact CE2-CG2 3.59Å; F63-T146 HydrophobicContact CZ-CG2 3.96Å; F63-L150 HydrophobicContact CD1-CD2 3.79Å; F63-L150 HydrophobicContact CE1-CD1 3.76Å; F63-L150 HydrophobicContact CE1-CD2 3.74Å; F63-L150 HydrophobicContact CE1-CG 4.27Å; F63-L150 HydrophobicContact CZ-CD1 3.93Å |
| 64 | V | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | I | π-helix | trans | -59.5 | -47.5 | 178 | 171.9 | 0 | 0 | 0 | 0 | 110.8 | A26 L33 A60 H61 F68 M69 L109 L112 | A26-V64 HydrophobicContact CB-CG1 4.27Å; A26-V64 WeakPolarHBondContact O-CG1 3.48Å; L33-V64 HydrophobicContact CD1-CG2 4.41Å; A60-V64 VanDerWaalsContact O-CB 3.31Å; A60-V64 WeakPolarHBondContact O-CB 3.39Å; A60-V64 WeakPolarHBondContact O-CG2 3.38Å; A60-V64 PolarHBondContact O-N 2.82Å; H61-V64 PolarHBondContact O-N 2.59Å; V64-F68 CarbonylContact O-C 3.28Å; V64-F68 WeakPolarHBondContact O-CA 3.31Å; V64-F68 WeakPolarHBondContact O-CB 3.28Å; V64-F68 PolarHBondContact O-N 3.34Å; V64-F68 VanDerWaalsContact O-N 3.12Å; V64-M69 PolarHBondContact O-N 2.99Å; V64-L109 HydrophobicContact CG2-CD1 4.2Å; V64-L112 HydrophobicContact CG2-CD2 3.78Å |
| 65 | M | 97.9 | Very high | 97.7 | Very high | 33 Ų | 33 | 13 Ų | 13 | 16% | 0.163 | 7% | 0.072 | C | C | . | . | I | π-helix | trans | -67.3 | -42.4 | -178 | -67.8 | -61.6 | -71.8 | 0 | 0 | 112.5 | H61 A62 F63 M69 V70 | H61-M65 VanDerWaalsContact CE1-CG 3.45Å; H61-M65 WeakPolarHBondContact CE1-CG 3.18Å; H61-M65 WeakPolarHBondContact O-CB 3.48Å; H61-M65 WeakPolarHBondContact O-CG 3.49Å; H61-M65 PolarHBondContact O-N 3.08Å; A62-M65 PolarHBondContact O-N 3.23Å; F63-M65 PolarHBondContact O-N 3.46Å; M65-M69 HydrophobicContact CE-SD 3.43Å; M65-M69 WeakPolarHBondContact CE-SD 3.18Å; M65-M69 WeakPolarHBondContact O-CB 3.3Å; M65-M69 HydrophobicContact SD-SD 3.92Å; M65-V70 WeakPolarHBondContact O-CG2 3.48Å; M65-V70 PolarHBondContact O-N 3.33Å |
| 66 | I | 95.8 | Very high | 97.7 | Very high | 6 Ų | 6 | 11.3 Ų | 11.3 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | I | π-helix | trans | -75.8 | -59.8 | -176.7 | -67.1 | 170.1 | 0 | 0 | 0 | 111 | A62 F63 M71 W126 L246 L381 | A62-I66 WeakPolarHBondContact O-CB 3.4Å; A62-I66 WeakPolarHBondContact O-CG1 3.27Å; A62-I66 PolarHBondContact O-N 2.9Å; F63-I66 PolarHBondContact O-N 3.16Å; I66-M71 HydrophobicContact CG2-CE 4.39Å; I66-M71 PolarHBondContact O-N 2.96Å; I66-W126 HydrophobicContact CD1-CE3 4.18Å; I66-W126 HydrophobicContact CD1-CZ3 4.31Å; I66-L246 HydrophobicContact CG1-CD1 4.35Å; I66-L246 HydrophobicContact CG2-CD1 3.77Å; I66-L246 HydrophobicContact CG2-CD2 4.12Å; I66-L381 HydrophobicContact CG1-CD2 4.11Å |
| 67 | F | 97.3 | Very high | 97.7 | Very high | 12 Ų | 12 | 10.7 Ų | 10.7 | 5% | 0.053 | 6% | 0.061 | C | C | . | . | I | π-helix | trans | -87.2 | -23.6 | -167.8 | -65.3 | -88.5 | 0 | 0 | 0 | 113.8 | F63 M71 P72 L150 F238 | F63-F67 AromaticContact CD1-CD2 3.72Å; F63-F67 HydrophobicContact CD1-CD2 3.72Å; F63-F67 AromaticContact CD1-CE2 3.66Å; F63-F67 HydrophobicContact CD1-CE2 3.66Å; F63-F67 HydrophobicContact CE1-CD2 4.49Å; F63-F67 HydrophobicContact CE1-CE2 4.01Å; F63-F67 PolarHBondContact O-N 3.44Å; F67-M71 HydrophobicContact CB-CE 4.16Å; F67-M71 HydrophobicContact CD1-CE 3.1Å; F67-M71 HydrophobicContact CE1-CE 3.56Å; F67-M71 HydrophobicContact CG-CE 3.79Å; F67-P72 WeakPolarHBondContact O-CD 3.47Å; F67-P72 WeakPolarHBondContact O-CG 3.37Å; F67-L150 HydrophobicContact CD1-CD2 4.37Å; F67-L150 HydrophobicContact CD2-CD2 4.06Å; F67-L150 HydrophobicContact CE1-CD2 4.36Å; F67-L150 HydrophobicContact CE2-CD2 4.01Å; F67-L150 HydrophobicContact CG-CD2 4.26Å; F67-L150 HydrophobicContact CZ-CD2 4.17Å; F67-F238 HydrophobicContact CE1-CZ 4.08Å; F67-F238 HydrophobicContact CZ-CE1 4.29Å; F67-F238 HydrophobicContact CZ-CZ 4.02Å |
| 68 | F | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 9.8 Ų | 9.8 | 0% | 0 | 6% | 0.056 | C | C | . | . | I | π-helix | trans | -115.1 | -18.3 | -172.9 | -59.9 | -79.3 | 0 | 0 | 0 | 114.1 | F22 G23 A26 F63 V64 P72 S108 L109 L112 A153 | F22-F68 HydrophobicContact CE1-CB 4.15Å; F22-F68 AromaticContact CE1-CD1 3.9Å; F22-F68 HydrophobicContact CE1-CD1 3.9Å; F22-F68 HydrophobicContact CZ-CB 4.48Å; F22-F68 AromaticContact CZ-CD1 3.76Å; F22-F68 HydrophobicContact CZ-CD1 3.76Å; G23-F68 WeakPolarHBondContact CA-O 3.27Å; A26-F68 HydrophobicContact CB-CB 3.86Å; A26-F68 VanDerWaalsContact CB-O 3.32Å; A26-F68 WeakPolarHBondContact CB-O 3.37Å; F63-F68 WeakPolarHBondContact O-CD2 3.41Å; V64-F68 CarbonylContact O-C 3.28Å; V64-F68 WeakPolarHBondContact O-CA 3.31Å; V64-F68 WeakPolarHBondContact O-CB 3.28Å; V64-F68 PolarHBondContact O-N 3.34Å; V64-F68 VanDerWaalsContact O-N 3.12Å; F68-P72 WeakPolarHBondContact O-CG 3.29Å; F68-S108 VanDerWaalsContact CE1-OG 3.3Å; F68-S108 WeakPolarHBondContact CE1-OG 3.5Å; F68-S108 WeakPolarHBondContact CZ-OG 3.31Å; F68-L109 HydrophobicContact CB-CD1 4.25Å; F68-L109 HydrophobicContact CD1-CB 3.72Å; F68-L109 HydrophobicContact CD1-CD1 4.11Å; F68-L109 HydrophobicContact CD1-CG 4.34Å; F68-L109 HydrophobicContact CD2-CD1 4.05Å; F68-L109 HydrophobicContact CE1-CB 3.68Å; F68-L109 HydrophobicContact CE1-CD1 4.46Å; F68-L109 VanDerWaalsContact CE1-N 3.33Å; F68-L109 HydrophobicContact CE2-CD1 4.42Å; F68-L109 HydrophobicContact CG-CB 4.35Å; F68-L109 HydrophobicContact CG-CD1 3.85Å; F68-L109 HydrophobicContact CZ-CB 4.31Å; F68-L112 HydrophobicContact CD2-CD2 3.98Å; F68-L112 HydrophobicContact CE2-CB 4.45Å; F68-L112 HydrophobicContact CE2-CD2 3.62Å; F68-A153 HydrophobicContact CZ-CB 4.48Å |
| 69 | M | 97.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 8.4 Ų | 8.4 | 7% | 0.069 | 5% | 0.048 | C | C | . | . | I | π-helix | trans | -105.6 | -70.3 | 172 | -179.2 | -138.9 | 174.1 | 0 | 0 | 111.9 | V64 M65 P72 I73 V386 | V64-M69 PolarHBondContact O-N 2.99Å; M65-M69 HydrophobicContact CE-SD 3.43Å; M65-M69 WeakPolarHBondContact CE-SD 3.18Å; M65-M69 WeakPolarHBondContact O-CB 3.3Å; M65-M69 HydrophobicContact SD-SD 3.92Å; M69-P72 WeakPolarHBondContact O-CD 3.36Å; M69-I73 HydrophobicContact CE-CD1 4.26Å; M69-I73 HydrophobicContact CG-CD1 3.88Å; M69-I73 WeakPolarHBondContact O-CB 3.4Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.39Å; M69-I73 PolarHBondContact O-N 3.3Å; M69-V386 HydrophobicContact CE-CG1 4.3Å; M69-V386 HydrophobicContact CE-CG2 4.13Å |
| 70 | V | 97.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 8.3 Ų | 8.3 | 2% | 0.024 | 5% | 0.047 | C | C | . | . | I | π-helix | trans | -64.3 | -51.9 | -167.7 | 174.2 | 0 | 0 | 0 | 0 | 111.8 | M65 I73 M74 L246 A385 | M65-V70 WeakPolarHBondContact O-CG2 3.48Å; M65-V70 PolarHBondContact O-N 3.33Å; V70-I73 PolarHBondContact O-N 3.33Å; V70-M74 HydrophobicContact CG1-CE 4.1Å; V70-M74 HydrophobicContact CG1-CG 4.36Å; V70-M74 WeakPolarHBondContact O-CB 3.48Å; V70-M74 WeakPolarHBondContact O-CG 3.34Å; V70-M74 PolarHBondContact O-N 3.34Å; V70-L246 HydrophobicContact CB-CD2 4.13Å; V70-L246 HydrophobicContact CG1-CB 4.3Å; V70-L246 HydrophobicContact CG1-CD2 3.72Å; V70-A385 HydrophobicContact CG1-CB 3.78Å; V70-A385 HydrophobicContact CG2-CB 4.49Å |
| 71 | M | 96.4 | Very high | 97.7 | Very high | 9 Ų | 9 | 8.5 Ų | 8.5 | 4% | 0.044 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59.2 | -52.4 | 178.6 | -94.7 | -160.9 | -80.4 | 0 | 0 | 112.7 | I66 F67 I73 M74 I75 G76 L195 E242 I245 L246 | I66-M71 HydrophobicContact CG2-CE 4.39Å; I66-M71 PolarHBondContact O-N 2.96Å; F67-M71 HydrophobicContact CB-CE 4.16Å; F67-M71 HydrophobicContact CD1-CE 3.1Å; F67-M71 HydrophobicContact CE1-CE 3.56Å; F67-M71 HydrophobicContact CG-CE 3.79Å; M71-I73 PolarHBondContact O-N 3.04Å; M71-M74 PolarHBondContact O-N 3.02Å; M71-I75 PolarHBondContact O-N 2.61Å; M71-G76 PolarHBondContact O-N 3.44Å; M71-L195 HydrophobicContact SD-CD2 4.26Å; M71-E242 WeakPolarHBondContact CE-OE1 3.38Å; M71-I245 HydrophobicContact SD-CG2 4.48Å; M71-L246 HydrophobicContact CG-CD2 3.63Å |
| 72 | P | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 7.3 Ų | 7.3 | 3% | 0.026 | 4% | 0.04 | C | C | . | . | I | π-helix | trans | -58 | -41.7 | 177.5 | -33.8 | 42.8 | 0 | 0 | 0 | 113.7 | Y19 F22 F67 F68 M69 G76 G77 L105 | Y19-P72 HydrophobicContact CD1-CB 4.03Å; F22-P72 HydrophobicContact CD1-CB 4.23Å; F22-P72 HydrophobicContact CD1-CG 4.39Å; F22-P72 HydrophobicContact CE1-CG 4.33Å; F67-P72 WeakPolarHBondContact O-CD 3.47Å; F67-P72 WeakPolarHBondContact O-CG 3.37Å; F68-P72 WeakPolarHBondContact O-CG 3.29Å; M69-P72 WeakPolarHBondContact O-CD 3.36Å; P72-G76 CarbonylContact O-C 3.6Å; P72-G76 VanDerWaalsContact O-C 3.28Å; P72-G76 WeakPolarHBondContact O-CA 3.49Å; P72-G76 PolarHBondContact O-N 3.17Å; P72-G76 VanDerWaalsContact O-N 3.12Å; P72-G77 PolarHBondContact O-N 3.44Å; P72-L105 HydrophobicContact CB-CD1 4.1Å; P72-L105 HydrophobicContact CG-CD1 3.72Å |
| 73 | I | 98.6 | Very high | 97.7 | Very high | 13 Ų | 13 | 6.4 Ų | 6.4 | 7% | 0.067 | 3% | 0.033 | C | C | . | . | I | π-helix | trans | -69.7 | -49.9 | 179.9 | -67.5 | 174.8 | 0 | 0 | 0 | 111.1 | L20 M69 V70 M71 G77 F78 I389 | L20-I73 HydrophobicContact CD2-CG2 3.93Å; M69-I73 HydrophobicContact CE-CD1 4.26Å; M69-I73 HydrophobicContact CG-CD1 3.88Å; M69-I73 WeakPolarHBondContact O-CB 3.4Å; M69-I73 VanDerWaalsContact O-CG1 3.25Å; M69-I73 WeakPolarHBondContact O-CG1 3.39Å; M69-I73 PolarHBondContact O-N 3.3Å; V70-I73 PolarHBondContact O-N 3.33Å; M71-I73 PolarHBondContact O-N 3.04Å; I73-G77 VanDerWaalsContact O-CA 3.31Å; I73-G77 WeakPolarHBondContact O-CA 3.46Å; I73-G77 PolarHBondContact O-N 3.36Å; I73-F78 HydrophobicContact CG2-CD2 4.01Å; I73-F78 HydrophobicContact CG2-CE2 3.77Å; I73-F78 WeakPolarHBondContact O-CD2 3.44Å; I73-F78 PolarHBondContact O-N 3.44Å; I73-I389 HydrophobicContact CB-CD1 4.15Å; I73-I389 HydrophobicContact CG2-CB 4.37Å; I73-I389 HydrophobicContact CG2-CD1 3.9Å; I73-I389 HydrophobicContact CG2-CG1 3.81Å; I73-I389 HydrophobicContact CG2-CG2 3.69Å |
| 74 | M | 96.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 6.3 Ų | 6.3 | 1% | 0.005 | 3% | 0.032 | C | C | . | . | I | π-helix | trans | -73.6 | -47.6 | -171.1 | -71.3 | -134.4 | -60.1 | 0 | 0 | 113.6 | V70 M71 G79 L246 P249 M253 A385 I389 | V70-M74 HydrophobicContact CG1-CE 4.1Å; V70-M74 HydrophobicContact CG1-CG 4.36Å; V70-M74 WeakPolarHBondContact O-CB 3.48Å; V70-M74 WeakPolarHBondContact O-CG 3.34Å; V70-M74 PolarHBondContact O-N 3.34Å; M71-M74 PolarHBondContact O-N 3.02Å; M74-G79 PolarHBondContact O-N 2.94Å; M74-L246 WeakPolarHBondContact CE-O 3.44Å; M74-P249 HydrophobicContact CB-CB 4.05Å; M74-P249 HydrophobicContact CB-CG 4.29Å; M74-P249 HydrophobicContact CE-CB 4.06Å; M74-P249 HydrophobicContact CE-CG 4.07Å; M74-P249 HydrophobicContact SD-CB 4.08Å; M74-M253 HydrophobicContact CG-CE 4.09Å; M74-M253 HydrophobicContact SD-CE 3.52Å; M74-M253 VanDerWaalsContact SD-CE 3.52Å; M74-A385 HydrophobicContact CE-CB 4.34Å; M74-I389 HydrophobicContact CG-CD1 3.74Å; M74-I389 HydrophobicContact CG-CG1 3.59Å; M74-I389 HydrophobicContact SD-CD1 4.48Å; M74-I389 HydrophobicContact SD-CG1 4.09Å |
| 75 | I | 95.8 | Very high | 97.5 | Very high | 18 Ų | 18 | 6.4 Ų | 6.4 | 9% | 0.092 | 3% | 0.033 | C | C | . | . | I | π-helix | trans | -93.8 | -49.5 | -176.7 | -58.7 | 173.9 | 0 | 0 | 0 | 109.5 | M71 G79 F164 T191 L195 I245 P249 | M71-I75 PolarHBondContact O-N 2.61Å; I75-G79 WeakPolarHBondContact O-CA 3.37Å; I75-G79 PolarHBondContact O-N 3.1Å; I75-F164 HydrophobicContact CG2-CD2 4.09Å; I75-F164 HydrophobicContact CG2-CE2 3.62Å; I75-F164 HydrophobicContact CG2-CZ 4.41Å; I75-F164 VanDerWaalsContact O-CZ 3.31Å; I75-F164 WeakPolarHBondContact O-CZ 3.42Å; I75-T191 HydrophobicContact CD1-CG2 3.31Å; I75-T191 HydrophobicContact CG1-CG2 4.05Å; I75-L195 HydrophobicContact CD1-CD1 3.75Å; I75-I245 HydrophobicContact CD1-CG2 3.82Å; I75-P249 HydrophobicContact CG1-CG 3.99Å |
| 76 | G | 97 | Very high | 97.4 | Very high | 5 Ų | 5 | 4.9 Ų | 4.9 | 5% | 0.052 | 3% | 0.025 | C | C | . | . | I | π-helix | trans | -66.9 | -47.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y19 M71 P72 N80 | Y19-G76 VanDerWaalsContact CB-C 3.42Å; Y19-G76 VanDerWaalsContact CD2-O 3.29Å; Y19-G76 WeakPolarHBondContact CD2-O 3.34Å; Y19-G76 VanDerWaalsContact CG-C 3.44Å; Y19-G76 VanDerWaalsContact CG-CA 3.47Å; M71-G76 PolarHBondContact O-N 3.44Å; P72-G76 CarbonylContact O-C 3.6Å; P72-G76 VanDerWaalsContact O-C 3.28Å; P72-G76 WeakPolarHBondContact O-CA 3.49Å; P72-G76 PolarHBondContact O-N 3.17Å; P72-G76 VanDerWaalsContact O-N 3.12Å; G76-N80 WeakPolarHBondContact O-CB 3.18Å; G76-N80 PolarHBondContact O-ND2 2.97Å |
| 77 | G | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 4.6 Ų | 4.6 | 0% | 0 | 2% | 0.024 | C | C | . | . | I | π-helix | trans | -80.7 | -72.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G16 P72 I73 G79 N80 W81 | G16-G77 WeakPolarHBondContact O-CA 3.48Å; P72-G77 PolarHBondContact O-N 3.44Å; I73-G77 VanDerWaalsContact O-CA 3.31Å; I73-G77 WeakPolarHBondContact O-CA 3.46Å; I73-G77 PolarHBondContact O-N 3.36Å; G77-G79 VanDerWaalsContact C-N 3.35Å; G77-G79 PolarHBondContact O-N 3.15Å; G77-N80 PolarHBondContact O-N 3.3Å; G77-W81 WeakPolarHBondContact O-CB 3.15Å; G77-W81 PolarHBondContact O-N 3.27Å |
| 78 | F | 98.6 | Very high | 97.1 | Very high | 1 Ų | 1 | 4.2 Ų | 4.2 | 0% | 0.004 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -62.2 | -40.6 | -180 | -73.1 | -73.2 | 0 | 0 | 0 | 112.2 | L20 I73 W81 L82 F184 M253 I389 F393 W396 F400 | L20-F78 HydrophobicContact CD2-CE2 4.43Å; I73-F78 HydrophobicContact CG2-CD2 4.01Å; I73-F78 HydrophobicContact CG2-CE2 3.77Å; I73-F78 WeakPolarHBondContact O-CD2 3.44Å; I73-F78 PolarHBondContact O-N 3.44Å; F78-W81 PolarHBondContact O-N 3.09Å; F78-L82 HydrophobicContact CB-CD1 4.28Å; F78-L82 HydrophobicContact CD1-CD1 3.9Å; F78-L82 VanDerWaalsContact O-CB 3.23Å; F78-L82 WeakPolarHBondContact O-CB 3.31Å; F78-L82 WeakPolarHBondContact O-CG 3.24Å; F78-L82 PolarHBondContact O-N 3.26Å; F78-F184 HydrophobicContact CB-CE2 4.35Å; F78-F184 HydrophobicContact CB-CZ 3.77Å; F78-M253 HydrophobicContact CB-SD 4.41Å; F78-M253 HydrophobicContact CD1-SD 4.06Å; F78-M253 HydrophobicContact CD2-CE 4.17Å; F78-M253 HydrophobicContact CD2-SD 3.68Å; F78-M253 HydrophobicContact CE1-SD 4.23Å; F78-M253 HydrophobicContact CE2-CE 4.44Å; F78-M253 HydrophobicContact CE2-SD 3.86Å; F78-M253 HydrophobicContact CG-SD 3.79Å; F78-M253 HydrophobicContact CZ-SD 4.14Å; F78-I389 HydrophobicContact CE2-CG2 4.46Å; F78-F393 HydrophobicContact CZ-CB 4.34Å; F78-W396 AromaticContact CD1-CE3 3.97Å; F78-W396 HydrophobicContact CD1-CE3 3.97Å; F78-W396 AromaticContact CE1-CE3 3.69Å; F78-W396 HydrophobicContact CE1-CE3 3.69Å; F78-W396 HydrophobicContact CE1-CZ3 4.41Å; F78-F400 HydrophobicContact CD1-CE2 4.17Å; F78-F400 AromaticContact CD1-CZ 3.81Å; F78-F400 HydrophobicContact CD1-CZ 3.81Å; F78-F400 AromaticContact CE1-CE2 3.68Å; F78-F400 HydrophobicContact CE1-CE2 3.68Å; F78-F400 AromaticContact CE1-CZ 3.75Å; F78-F400 HydrophobicContact CE1-CZ 3.75Å; F78-F400 HydrophobicContact CZ-CE2 4.48Å |
| 79 | G | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.023 | C | C | . | . | I | π-helix | trans | -59.2 | -51.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | M74 I75 G77 W81 V83 F164 | M74-G79 PolarHBondContact O-N 2.94Å; I75-G79 WeakPolarHBondContact O-CA 3.37Å; I75-G79 PolarHBondContact O-N 3.1Å; G77-G79 VanDerWaalsContact C-N 3.35Å; G77-G79 PolarHBondContact O-N 3.15Å; G79-W81 PolarHBondContact O-N 3.15Å; G79-V83 WeakPolarHBondContact O-CB 3.47Å; G79-V83 VanDerWaalsContact O-CG2 3.29Å; G79-V83 WeakPolarHBondContact O-CG2 3.09Å; G79-V83 PolarHBondContact O-N 3.39Å; G79-F164 VanDerWaalsContact C-CE1 3.45Å |
| 80 | N | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.005 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 179.1 | -82.5 | -67.9 | 0 | 0 | 0 | 113 | H12 G76 G77 P84 N98 | H12-N80 PolarHBondContact ND1-O 2.97Å; G76-N80 WeakPolarHBondContact O-CB 3.18Å; G76-N80 PolarHBondContact O-ND2 2.97Å; G77-N80 PolarHBondContact O-N 3.3Å; N80-P84 WeakPolarHBondContact O-CD 3.25Å; N80-N98 PolarHBondContact OD1-ND2 3.23Å; N80-N98 PolarHBondContact OD1-OD1 3.08Å |
| 81 | W | 97.8 | Very high | 96.6 | Very high | 12 Ų | 12 | 7 Ų | 7 | 5% | 0.045 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -66.3 | -50.5 | 177.2 | -97 | 99 | 0 | 0 | 0 | 112.5 | K13 T17 G77 F78 G79 L85 F400 P500 | K13-W81 HydrophobicContact CB-CD2 4.13Å; K13-W81 HydrophobicContact CB-CE3 4.07Å; K13-W81 HydrophobicContact CB-CH2 3.77Å; K13-W81 HydrophobicContact CB-CZ2 3.79Å; K13-W81 HydrophobicContact CB-CZ3 3.9Å; K13-W81 HydrophobicContact CD-CE3 4.34Å; K13-W81 HydrophobicContact CD-CH2 4.22Å; K13-W81 HydrophobicContact CD-CZ3 3.83Å; K13-W81 HydrophobicContact CG-CD2 4.34Å; K13-W81 HydrophobicContact CG-CE3 3.89Å; K13-W81 HydrophobicContact CG-CH2 4.2Å; K13-W81 HydrophobicContact CG-CZ3 3.82Å; K13-W81 PolarHBondContact O-NE1 3.14Å; K13-W81 VanDerWaalsContact O-NE1 3.13Å; T17-W81 VanDerWaalsContact OG1-CZ2 3.31Å; T17-W81 WeakPolarHBondContact OG1-CZ2 3.42Å; T17-W81 PolarHBondContact OG1-NE1 3.36Å; T17-W81 VanDerWaalsContact OG1-NE1 3.07Å; G77-W81 WeakPolarHBondContact O-CB 3.15Å; G77-W81 PolarHBondContact O-N 3.27Å; F78-W81 PolarHBondContact O-N 3.09Å; G79-W81 PolarHBondContact O-N 3.15Å; W81-L85 HydrophobicContact CE3-CD1 4.39Å; W81-L85 VanDerWaalsContact O-CD1 3.28Å; W81-L85 WeakPolarHBondContact O-CD1 3.34Å; W81-L85 VanDerWaalsContact O-CG 3.29Å; W81-L85 WeakPolarHBondContact O-CG 3.4Å; W81-F400 HydrophobicContact CB-CD1 4.48Å; W81-F400 HydrophobicContact CB-CE1 3.78Å; W81-F400 HydrophobicContact CB-CZ 4.32Å; W81-F400 AromaticContact CD2-CD1 3.59Å; W81-F400 HydrophobicContact CD2-CD1 3.59Å; W81-F400 AromaticContact CD2-CE1 3.8Å; W81-F400 HydrophobicContact CD2-CE1 3.8Å; W81-F400 AromaticContact CE2-CD1 3.97Å; W81-F400 AromaticContact CE3-CD1 3.64Å; W81-F400 HydrophobicContact CE3-CD1 3.64Å; W81-F400 AromaticContact CE3-CE1 3.96Å; W81-F400 HydrophobicContact CE3-CE1 3.96Å; W81-F400 AromaticContact CG-CD1 3.99Å; W81-F400 HydrophobicContact CG-CD1 3.99Å; W81-F400 AromaticContact CG-CE1 3.74Å; W81-F400 HydrophobicContact CG-CE1 3.74Å; W81-F400 HydrophobicContact CG-CZ 4.42Å; W81-F400 HydrophobicContact CH2-CD1 4.37Å; W81-F400 HydrophobicContact CZ2-CB 4.45Å; W81-F400 HydrophobicContact CZ2-CD1 4.35Å; W81-F400 HydrophobicContact CZ3-CD1 4.04Å; W81-P500 HydrophobicContact CZ3-CG 4.42Å |
| 82 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -94.3 | -32 | -163.9 | -59.3 | 177.6 | 0 | 0 | 0 | 113.3 | F78 L85 M86 F184 W396 L399 F400 | F78-L82 HydrophobicContact CB-CD1 4.28Å; F78-L82 HydrophobicContact CD1-CD1 3.9Å; F78-L82 VanDerWaalsContact O-CB 3.23Å; F78-L82 WeakPolarHBondContact O-CB 3.31Å; F78-L82 WeakPolarHBondContact O-CG 3.24Å; F78-L82 PolarHBondContact O-N 3.26Å; L82-L85 PolarHBondContact O-N 3.03Å; L82-M86 HydrophobicContact CB-CE 4.05Å; L82-M86 HydrophobicContact CB-CG 4.46Å; L82-M86 HydrophobicContact CB-SD 4.08Å; L82-M86 HydrophobicContact CD1-CE 4.02Å; L82-M86 HydrophobicContact CD2-CE 4.33Å; L82-M86 HydrophobicContact CG-CE 4.37Å; L82-M86 VanDerWaalsContact O-CB 3.25Å; L82-M86 WeakPolarHBondContact O-CB 3.31Å; L82-M86 VanDerWaalsContact O-CG 3.27Å; L82-M86 WeakPolarHBondContact O-CG 3.32Å; L82-M86 PolarHBondContact O-N 3.18Å; L82-F184 HydrophobicContact CB-CD1 4.04Å; L82-F184 HydrophobicContact CB-CE1 3.72Å; L82-F184 HydrophobicContact CD1-CD1 4.31Å; L82-F184 HydrophobicContact CD1-CE1 4.03Å; L82-F184 HydrophobicContact CD1-CZ 4.29Å; L82-F184 HydrophobicContact CG-CE1 4.45Å; L82-W396 HydrophobicContact CD1-CD2 3.78Å; L82-W396 HydrophobicContact CD1-CE3 3.97Å; L82-W396 HydrophobicContact CD1-CG 4.37Å; L82-W396 HydrophobicContact CD1-CH2 4.24Å; L82-W396 HydrophobicContact CD1-CZ2 3.97Å; L82-W396 HydrophobicContact CD1-CZ3 4.22Å; L82-W396 HydrophobicContact CD2-CD2 4.34Å; L82-W396 HydrophobicContact CD2-CG 4.12Å; L82-L399 HydrophobicContact CD2-CD2 3.82Å; L82-F400 HydrophobicContact CD2-CE1 4.13Å; L82-F400 HydrophobicContact CD2-CZ 4.44Å |
| 83 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.6 | -53.8 | -174.7 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | G79 L85 M86 I87 F164 I168 F184 V188 | G79-V83 WeakPolarHBondContact O-CB 3.47Å; G79-V83 VanDerWaalsContact O-CG2 3.29Å; G79-V83 WeakPolarHBondContact O-CG2 3.09Å; G79-V83 PolarHBondContact O-N 3.39Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 3.1Å; V83-M86 PolarHBondContact O-N 2.93Å; V83-I87 HydrophobicContact CG1-CD1 4.41Å; V83-I87 WeakPolarHBondContact O-CG1 3.47Å; V83-I87 PolarHBondContact O-N 2.94Å; V83-I87 VanDerWaalsContact O-N 3.11Å; V83-F164 HydrophobicContact CB-CD1 4.39Å; V83-F164 HydrophobicContact CB-CE1 4.28Å; V83-F164 HydrophobicContact CG1-CD1 4.4Å; V83-F164 HydrophobicContact CG2-CD1 4.22Å; V83-F164 HydrophobicContact CG2-CE1 4.14Å; V83-I168 HydrophobicContact CG1-CD1 3.97Å; V83-I168 HydrophobicContact CG1-CG1 3.52Å; V83-F184 HydrophobicContact CG2-CE1 4.2Å; V83-V188 HydrophobicContact CG2-CB 4.11Å; V83-V188 HydrophobicContact CG2-CG1 4Å; V83-V188 HydrophobicContact CG2-CG2 4.12Å |
| 84 | P | 96.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60.4 | -38.4 | 177.2 | -25.5 | 37.5 | 0 | 0 | 0 | 112.4 | H12 N80 G88 A89 M92 | H12-P84 HydrophobicContact CB-CG 4.24Å; N80-P84 WeakPolarHBondContact O-CD 3.25Å; P84-G88 PolarHBondContact O-N 3.37Å; P84-A89 HydrophobicContact CB-CB 4.27Å; P84-A89 PolarHBondContact O-N 3.46Å; P84-M92 HydrophobicContact CG-CG 4.04Å; P84-M92 HydrophobicContact CG-SD 3.56Å; P84-M92 VanDerWaalsContact CG-SD 3.56Å |
| 85 | L | 95.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.8 | -46.3 | 178.6 | -68 | -178.2 | 0 | 0 | 0 | 113.1 | W81 L82 V83 I87 G88 L399 L492 E493 P500 T504 F505 | W81-L85 HydrophobicContact CE3-CD1 4.39Å; W81-L85 VanDerWaalsContact O-CD1 3.28Å; W81-L85 WeakPolarHBondContact O-CD1 3.34Å; W81-L85 VanDerWaalsContact O-CG 3.29Å; W81-L85 WeakPolarHBondContact O-CG 3.4Å; L82-L85 PolarHBondContact O-N 3.03Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 3.1Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.25Å; L85-G88 PolarHBondContact O-N 2.81Å; L85-L399 HydrophobicContact CD1-CD2 4.23Å; L85-L492 WeakPolarHBondContact O-CB 3.18Å; L85-E493 HydrophobicContact CB-CB 3.82Å; L85-E493 HydrophobicContact CD1-CB 4.27Å; L85-P500 HydrophobicContact CD1-CG 4.2Å; L85-T504 HydrophobicContact CD2-CG2 4.08Å; L85-F505 HydrophobicContact CD2-CE2 4.05Å |
| 86 | M | 95.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -75 | -19.6 | -176.8 | -74.2 | -179 | 175 | 0 | 0 | 113.4 | L82 V83 P182 F184 V185 W396 E493 | L82-M86 HydrophobicContact CB-CE 4.05Å; L82-M86 HydrophobicContact CB-CG 4.46Å; L82-M86 HydrophobicContact CB-SD 4.08Å; L82-M86 HydrophobicContact CD1-CE 4.02Å; L82-M86 HydrophobicContact CD2-CE 4.33Å; L82-M86 HydrophobicContact CG-CE 4.37Å; L82-M86 VanDerWaalsContact O-CB 3.25Å; L82-M86 WeakPolarHBondContact O-CB 3.31Å; L82-M86 VanDerWaalsContact O-CG 3.27Å; L82-M86 WeakPolarHBondContact O-CG 3.32Å; L82-M86 PolarHBondContact O-N 3.18Å; V83-M86 PolarHBondContact O-N 2.93Å; M86-P182 HydrophobicContact CB-CG 4.19Å; M86-F184 HydrophobicContact CE-CD1 4.46Å; M86-F184 HydrophobicContact SD-CB 3.96Å; M86-F184 HydrophobicContact SD-CD1 3.76Å; M86-F184 HydrophobicContact SD-CG 4.25Å; M86-V185 HydrophobicContact CB-CG2 3.74Å; M86-V185 HydrophobicContact SD-CG2 4.37Å; M86-W396 HydrophobicContact CE-CZ2 3.93Å; M86-E493 HydrophobicContact CE-CG 4.41Å; M86-E493 HydrophobicContact CG-CB 4.48Å |
| 87 | I | 95 | Very high | 96.7 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -101.1 | -3.3 | 173.1 | 74.5 | -178.6 | 0 | 0 | 0 | 113.3 | V83 L85 A89 T167 K172 P173 V185 | V83-I87 HydrophobicContact CG1-CD1 4.41Å; V83-I87 WeakPolarHBondContact O-CG1 3.47Å; V83-I87 PolarHBondContact O-N 2.94Å; V83-I87 VanDerWaalsContact O-N 3.11Å; L85-I87 VanDerWaalsContact C-N 3.31Å; L85-I87 PolarHBondContact O-N 3.25Å; I87-A89 HydrophobicContact CD1-CB 3.85Å; I87-A89 HydrophobicContact CG1-CB 3.66Å; I87-T167 HydrophobicContact CD1-CG2 3.98Å; I87-K172 HydrophobicContact CB-CG 4.06Å; I87-K172 HydrophobicContact CD1-CG 4.32Å; I87-K172 HydrophobicContact CG2-CG 4.33Å; I87-P173 WeakPolarHBondContact O-CD 3.28Å; I87-V185 HydrophobicContact CG2-CB 4.41Å; I87-V185 HydrophobicContact CG2-CG1 3.74Å; I87-V185 HydrophobicContact CG2-CG2 3.85Å |
| 88 | G | 93.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 4% | 0.041 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.6 | 23.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P84 L85 | P84-G88 PolarHBondContact O-N 3.37Å; L85-G88 PolarHBondContact O-N 2.81Å |
| 89 | A | 94.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -88.5 | 142.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | P84 I87 D91 M171 F505 | P84-A89 HydrophobicContact CB-CB 4.27Å; P84-A89 PolarHBondContact O-N 3.46Å; I87-A89 HydrophobicContact CD1-CB 3.85Å; I87-A89 HydrophobicContact CG1-CB 3.66Å; A89-D91 VanDerWaalsContact C-N 3.32Å; A89-D91 PolarHBondContact O-N 3.39Å; A89-M171 HydrophobicContact CB-CB 3.97Å; A89-M171 HydrophobicContact CB-CE 4.44Å; A89-F505 VanDerWaalsContact O-CD2 3.31Å; A89-F505 WeakPolarHBondContact O-CD2 3.49Å | ||
| 90 | P | 93.3 | Very high | 96.6 | Very high | 57 Ų | 57 | 30.7 Ų | 30.7 | 37% | 0.37 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -65.3 | -33.5 | 180 | 23.4 | -33 | 0 | 0 | 0 | 113.6 | M171 | P90-M171 HydrophobicContact CG-CE 4.34Š|
| 91 | D | 95.3 | Very high | 96.6 | Very high | 19 Ų | 19 | 30.6 Ų | 30.6 | 10% | 0.102 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -162.1 | -173.3 | 178.1 | -146 | -45.8 | 0 | 0 | 0 | 109.4 | H12 A89 M171 | H12-D91 VanDerWaalsContact CB-OD1 3.27Å; H12-D91 WeakPolarHBondContact CB-OD1 3.48Å; H12-D91 IonicContact CD2-OD1 2.78Å; H12-D91 PolarHBondContact CD2-OD1 3.42Å; H12-D91 IonicContact CG-OD1 3.44Å; H12-D91 PolarHBondContact N-OD1 3.24Å; H12-D91 VanDerWaalsContact N-OD1 3.16Å; A89-D91 VanDerWaalsContact C-N 3.32Å; A89-D91 PolarHBondContact O-N 3.39Å; D91-M171 WeakPolarHBondContact O-CE 3.37Å |
| 92 | M | 96.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 15% | 0.15 | C | C | . | . | trans | -74.2 | 155.4 | 169.1 | -62.5 | -70.8 | -71.6 | 0 | 0 | 111.8 | H12 P84 F94 P95 N163 F164 T167 | H12-M92 HydrophobicContact CB-CG 3.76Å; P84-M92 HydrophobicContact CG-CG 4.04Å; P84-M92 HydrophobicContact CG-SD 3.56Å; P84-M92 VanDerWaalsContact CG-SD 3.56Å; M92-F94 VanDerWaalsContact C-N 3.35Å; M92-F94 PolarHBondContact O-N 2.99Å; M92-P95 WeakPolarHBondContact O-CD 3.38Å; M92-P95 WeakPolarHBondContact O-CG 3.39Å; M92-N163 HydrophobicContact CE-CB 4.26Å; M92-N163 WeakPolarHBondContact CE-ND2 3.46Å; M92-F164 HydrophobicContact CE-CD1 3.51Å; M92-F164 HydrophobicContact CE-CE1 3.55Å; M92-F164 HydrophobicContact CE-CG 4.04Å; M92-F164 HydrophobicContact CE-CZ 4.14Å; M92-F164 HydrophobicContact SD-CD1 4.36Å; M92-F164 HydrophobicContact SD-CE1 4.15Å; M92-T167 HydrophobicContact SD-CG2 3.95Å | ||
| 93 | A | 97.7 | Very high | 96.7 | Very high | 31 Ų | 31 | 35 Ų | 35 | 26% | 0.256 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -63.6 | -37 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | P95 N163 T166 T167 M171 | A93-P95 WeakPolarHBondContact O-CD 3.23Å; A93-N163 PolarHBondContact N-OD1 3.41Å; A93-T166 HydrophobicContact CB-CG2 3.66Å; A93-T167 WeakPolarHBondContact CB-OG1 3.37Å; A93-T167 PolarHBondContact N-OG1 2.93Å; A93-M171 WeakPolarHBondContact CA-SD 3.43Å; A93-M171 HydrophobicContact CB-CG 4.48Å; A93-M171 HydrophobicContact CB-SD 3.59Å; A93-M171 VanDerWaalsContact CB-SD 3.59Å; A93-M171 PolarHBondContact N-SD 3.24Å |
| 94 | F | 98.2 | Very high | 96.7 | Very high | 81 Ų | 81 | 36.4 Ų | 36.4 | 36% | 0.355 | 18% | 0.175 | S | C | . | . | trans | -122.4 | 75.6 | 179.2 | -53.2 | -54.2 | 0 | 0 | 0 | 111.5 | M92 R96 M97 N98 I162 N163 T166 | M92-F94 VanDerWaalsContact C-N 3.35Å; M92-F94 PolarHBondContact O-N 2.99Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.38Å; F94-M97 HydrophobicContact CB-CB 3.69Å; F94-M97 HydrophobicContact CB-SD 4.32Å; F94-M97 HydrophobicContact CD2-CE 4.33Å; F94-M97 HydrophobicContact CD2-SD 4.16Å; F94-M97 HydrophobicContact CG-CE 4.49Å; F94-M97 WeakPolarHBondContact O-CB 3.25Å; F94-M97 PolarHBondContact O-N 3.19Å; F94-M97 VanDerWaalsContact O-N 3.13Å; F94-N98 PolarHBondContact O-N 3.27Å; F94-I162 HydrophobicContact CE2-CG2 4.16Å; F94-N163 HydrophobicContact CD2-CB 4.35Å; F94-N163 PolarHBondContact N-OD1 3.07Å; F94-N163 PolarHBondContact O-ND2 3.38Å; F94-T166 HydrophobicContact CE2-CG2 3.74Å; F94-T166 WeakPolarHBondContact CE2-OG1 3.38Å; F94-T166 HydrophobicContact CZ-CG2 3.77Å | ||
| 95 | P | 97.3 | Very high | 96.8 | Very high | 39 Ų | 39 | 36.6 Ų | 36.6 | 25% | 0.253 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -58.6 | -36.9 | -173.3 | -28.2 | 36.4 | 0 | 0 | 0 | 115.1 | T10 M92 A93 N98 N99 | T10-P95 HydrophobicContact CG2-CB 4.33Å; T10-P95 WeakPolarHBondContact O-CB 3.47Å; M92-P95 WeakPolarHBondContact O-CD 3.38Å; M92-P95 WeakPolarHBondContact O-CG 3.39Å; A93-P95 WeakPolarHBondContact O-CD 3.23Å; P95-N98 VanDerWaalsContact O-CB 3.26Å; P95-N98 WeakPolarHBondContact O-CB 3.34Å; P95-N98 PolarHBondContact O-N 3.12Å; P95-N99 PolarHBondContact O-N 3.47Å; P95-N99 VanDerWaalsContact O-N 3.09Å |
| 96 | R | 97.8 | Very high | 96.9 | Very high | 208 Ų | 208 | 38 Ų | 38 | 79% | 0.785 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -72.5 | -37.9 | 178.2 | -65.3 | 178.4 | -176.6 | -107.3 | 0 | 112.4 | T10 F94 N98 N99 M100 | T10-R96 HydrophobicContact CG2-CG 4.17Å; F94-R96 VanDerWaalsContact C-N 3.32Å; F94-R96 PolarHBondContact O-N 3.38Å; R96-N98 VanDerWaalsContact C-N 3.25Å; R96-N98 PolarHBondContact O-N 3.4Å; R96-N99 PolarHBondContact O-N 2.81Å; R96-M100 WeakPolarHBondContact O-CB 3.49Å; R96-M100 PolarHBondContact O-N 2.84Å |
| 97 | M | 97.3 | Very high | 97.1 | Very high | 57 Ų | 57 | 40.5 Ų | 40.5 | 28% | 0.281 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 173.4 | -175.7 | -175.8 | -68.6 | 0 | 0 | 110.4 | F94 M100 S101 L159 I162 | F94-M97 HydrophobicContact CB-CB 3.69Å; F94-M97 HydrophobicContact CB-SD 4.32Å; F94-M97 HydrophobicContact CD2-CE 4.33Å; F94-M97 HydrophobicContact CD2-SD 4.16Å; F94-M97 HydrophobicContact CG-CE 4.49Å; F94-M97 WeakPolarHBondContact O-CB 3.25Å; F94-M97 PolarHBondContact O-N 3.19Å; F94-M97 VanDerWaalsContact O-N 3.13Å; M97-M100 PolarHBondContact O-N 2.74Å; M97-S101 PolarHBondContact O-N 3.46Å; M97-L159 HydrophobicContact CE-CD2 4.38Å; M97-L159 HydrophobicContact CG-CB 3.89Å; M97-L159 HydrophobicContact CG-CD2 3.95Å; M97-L159 HydrophobicContact CG-CG 4.35Å; M97-L159 HydrophobicContact SD-CB 4.3Å; M97-L159 HydrophobicContact SD-CD2 4.01Å; M97-I162 HydrophobicContact SD-CG2 4.38Å |
| 98 | N | 97.9 | Very high | 97.2 | Very high | 2 Ų | 2 | 40.5 Ų | 40.5 | 1% | 0.011 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -42.8 | 174.5 | -156 | 40.2 | 0 | 0 | 0 | 113.2 | N80 F94 P95 R96 S101 F102 N163 | N80-N98 PolarHBondContact OD1-ND2 3.23Å; N80-N98 PolarHBondContact OD1-OD1 3.08Å; F94-N98 PolarHBondContact O-N 3.27Å; P95-N98 VanDerWaalsContact O-CB 3.26Å; P95-N98 WeakPolarHBondContact O-CB 3.34Å; P95-N98 PolarHBondContact O-N 3.12Å; R96-N98 VanDerWaalsContact C-N 3.25Å; R96-N98 PolarHBondContact O-N 3.4Å; N98-S101 PolarHBondContact O-OG 3.33Å; N98-F102 PolarHBondContact O-N 2.89Å; N98-N163 VanDerWaalsContact CB-ND2 3.33Å; N98-N163 WeakPolarHBondContact CB-ND2 3.29Å; N98-N163 PolarHBondContact OD1-ND2 2.9Å |
| 99 | N | 98.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 11% | 0.112 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.9 | -44.4 | 174.9 | -171.5 | 35.5 | 0 | 0 | 0 | 110.7 | L7 S9 V15 P95 R96 S101 F102 W103 | L7-N99 PolarHBondContact O-ND2 3.37Å; S9-N99 VanDerWaalsContact O-CB 3.3Å; S9-N99 WeakPolarHBondContact O-CB 3.18Å; S9-N99 VanDerWaalsContact O-CG 3.32Å; S9-N99 PolarHBondContact O-ND2 3.29Å; V15-N99 HydrophobicContact CG2-CB 4.37Å; P95-N99 PolarHBondContact O-N 3.47Å; P95-N99 VanDerWaalsContact O-N 3.09Å; R96-N99 PolarHBondContact O-N 2.81Å; N99-S101 VanDerWaalsContact C-N 3.33Å; N99-S101 PolarHBondContact O-N 2.83Å; N99-F102 PolarHBondContact O-N 3.23Å; N99-W103 PolarHBondContact O-N 2.94Å; N99-W103 VanDerWaalsContact O-N 3.11Å; N99-W103 PolarHBondContact OD1-NE1 3.34Å |
| 100 | M | 97.3 | Very high | 97.7 | Very high | 107 Ų | 107 | 46.2 Ų | 46.2 | 53% | 0.527 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 177.3 | -175.9 | 176.5 | 177.5 | 0 | 0 | 112.4 | R96 M97 F102 W103 L104 L159 | R96-M100 WeakPolarHBondContact O-CB 3.49Å; R96-M100 PolarHBondContact O-N 2.84Å; M97-M100 PolarHBondContact O-N 2.74Å; M100-F102 VanDerWaalsContact C-N 3.28Å; M100-F102 PolarHBondContact O-N 3.06Å; M100-W103 PolarHBondContact O-N 3.18Å; M100-L104 WeakPolarHBondContact O-CG 3.46Å; M100-L104 PolarHBondContact O-N 3Å; M100-L159 HydrophobicContact CG-CD1 4.3Å; M100-L159 HydrophobicContact SD-CD1 4.31Å |
| 101 | S | 97.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60 | -40.4 | 177.1 | 62.2 | 0 | 0 | 0 | 0 | 111.2 | Y19 M97 N98 N99 S156 | Y19-S101 WeakPolarHBondContact OH-CB 3.35Å; Y19-S101 PolarHBondContact OH-O 2.9Å; Y19-S101 PolarHBondContact OH-OG 3.44Å; M97-S101 PolarHBondContact O-N 3.46Å; N98-S101 PolarHBondContact O-OG 3.33Å; N99-S101 VanDerWaalsContact C-N 3.33Å; N99-S101 PolarHBondContact O-N 2.83Å; S101-S156 WeakPolarHBondContact CB-O 3.14Å; S101-S156 WeakPolarHBondContact O-CB 3.11Å; S101-S156 PolarHBondContact O-OG 2.84Å |
| 102 | F | 98.6 | Very high | 98.1 | Very high | 9 Ų | 9 | 45.1 Ų | 45.1 | 4% | 0.039 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.8 | -49.9 | 174.7 | 171.1 | -101.8 | 0 | 0 | 0 | 111.9 | V15 L18 Y19 F22 N98 N99 M100 L104 L105 P106 | V15-F102 HydrophobicContact CG1-CB 4.18Å; L18-F102 VanDerWaalsContact C-CE2 3.46Å; L18-F102 HydrophobicContact CB-CD1 4.04Å; L18-F102 HydrophobicContact CB-CD2 3.99Å; L18-F102 HydrophobicContact CB-CE1 3.74Å; L18-F102 HydrophobicContact CB-CE2 3.68Å; L18-F102 HydrophobicContact CB-CG 4.18Å; L18-F102 HydrophobicContact CB-CZ 3.57Å; L18-F102 HydrophobicContact CD1-CD1 3.9Å; L18-F102 HydrophobicContact CD1-CE1 3.83Å; L18-F102 HydrophobicContact CD1-CZ 4.49Å; L18-F102 HydrophobicContact CD2-CE1 4.45Å; L18-F102 HydrophobicContact CG-CE1 4.23Å; L18-F102 HydrophobicContact CG-CZ 4.41Å; L18-F102 WeakPolarHBondContact O-CE2 3.18Å; Y19-F102 AromaticContact CD1-CD2 3.9Å; Y19-F102 HydrophobicContact CD1-CD2 3.9Å; Y19-F102 HydrophobicContact CD2-CB 4.27Å; Y19-F102 HydrophobicContact CD2-CD2 4.08Å; Y19-F102 HydrophobicContact CE1-CB 4.36Å; Y19-F102 HydrophobicContact CE1-CD2 4.09Å; Y19-F102 HydrophobicContact CE2-CB 3.68Å; Y19-F102 HydrophobicContact CE2-CD2 4.24Å; Y19-F102 HydrophobicContact CE2-CG 4.42Å; Y19-F102 AromaticContact CG-CD2 3.9Å; Y19-F102 HydrophobicContact CG-CD2 3.9Å; Y19-F102 WeakPolarHBondContact OH-CA 3.4Å; Y19-F102 PolarHBondContact OH-N 2.93Å; F22-F102 HydrophobicContact CB-CE2 3.83Å; F22-F102 HydrophobicContact CB-CZ 4.34Å; F22-F102 HydrophobicContact CG-CE2 4.3Å; N98-F102 PolarHBondContact O-N 2.89Å; N99-F102 PolarHBondContact O-N 3.23Å; M100-F102 VanDerWaalsContact C-N 3.28Å; M100-F102 PolarHBondContact O-N 3.06Å; F102-L104 PolarHBondContact O-N 3.4Å; F102-L104 VanDerWaalsContact O-N 3.09Å; F102-L105 WeakPolarHBondContact O-CB 3.25Å; F102-L105 PolarHBondContact O-N 3.45Å; F102-P106 HydrophobicContact CZ-CG 4.39Å; F102-P106 WeakPolarHBondContact O-CD 3.44Å |
| 103 | W | 98.3 | Very high | 98.1 | Very high | 95 Ų | 95 | 47.2 Ų | 47.2 | 36% | 0.36 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -67.9 | -11.3 | -172.4 | -77.6 | 110.9 | 0 | 0 | 0 | 115.1 | L7 N99 M100 P106 P107 | L7-W103 HydrophobicContact CB-CZ2 4.49Å; L7-W103 HydrophobicContact CD2-CH2 3.38Å; L7-W103 HydrophobicContact CD2-CZ2 3.4Å; L7-W103 VanDerWaalsContact CD2-CZ2 3.4Å; L7-W103 HydrophobicContact CD2-CZ3 4.39Å; L7-W103 PolarHBondContact O-NE1 3.42Å; N99-W103 PolarHBondContact O-N 2.94Å; N99-W103 VanDerWaalsContact O-N 3.11Å; N99-W103 PolarHBondContact OD1-NE1 3.34Å; M100-W103 PolarHBondContact O-N 3.18Å; W103-P106 HydrophobicContact CE3-CG 4.33Å; W103-P107 WeakPolarHBondContact O-CD 3.19Å; W103-P107 WeakPolarHBondContact O-CG 3.48Å |
| 104 | L | 98.4 | Very high | 98.1 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -20.9 | 170.2 | -69.9 | 171.7 | 0 | 0 | 0 | 113.2 | M100 F102 P107 S108 L152 V155 L159 | M100-L104 WeakPolarHBondContact O-CG 3.46Å; M100-L104 PolarHBondContact O-N 3Å; F102-L104 PolarHBondContact O-N 3.4Å; F102-L104 VanDerWaalsContact O-N 3.09Å; L104-P107 WeakPolarHBondContact O-CD 3.38Å; L104-P107 WeakPolarHBondContact O-CG 3.38Å; L104-S108 WeakPolarHBondContact O-CB 3.43Å; L104-S108 PolarHBondContact O-N 2.72Å; L104-L152 HydrophobicContact CD2-CD2 4.29Å; L104-V155 HydrophobicContact CD1-CB 4.18Å; L104-V155 HydrophobicContact CD1-CG1 3.66Å; L104-L159 HydrophobicContact CD1-CD1 4.02Å |
| 105 | L | 98.6 | Very high | 98.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -73 | -44.3 | -178.7 | -67.2 | -178 | 0 | 0 | 0 | 114.4 | Y19 F22 P72 F102 S108 L109 A153 | Y19-L105 HydrophobicContact CD1-CD1 3.87Å; Y19-L105 HydrophobicContact CE1-CD1 3.44Å; Y19-L105 VanDerWaalsContact CE1-CD1 3.44Å; F22-L105 HydrophobicContact CD1-CB 4.44Å; F22-L105 HydrophobicContact CD1-CD1 4.26Å; F22-L105 HydrophobicContact CE1-CB 3.84Å; F22-L105 HydrophobicContact CE1-CD1 4.08Å; F22-L105 HydrophobicContact CE2-CB 4.47Å; F22-L105 HydrophobicContact CZ-CB 3.83Å; P72-L105 HydrophobicContact CB-CD1 4.1Å; P72-L105 HydrophobicContact CG-CD1 3.72Å; F102-L105 WeakPolarHBondContact O-CB 3.25Å; F102-L105 PolarHBondContact O-N 3.45Å; L105-S108 WeakPolarHBondContact O-CB 3.09Å; L105-S108 PolarHBondContact O-N 3.46Å; L105-L109 PolarHBondContact O-N 2.74Å; L105-A153 HydrophobicContact CD2-CB 4.38Å |
| 106 | P | 98.5 | Very high | 98 | Very high | 32 Ų | 32 | 43.4 Ų | 43.4 | 21% | 0.208 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -55.9 | -50.5 | 175.6 | -25.2 | 33.9 | 0 | 0 | 0 | 114.6 | F22 F102 W103 S108 L109 L110 | F22-P106 HydrophobicContact CD2-CG 4.33Å; F22-P106 HydrophobicContact CE2-CB 4.44Å; F22-P106 HydrophobicContact CE2-CG 4.21Å; F102-P106 HydrophobicContact CZ-CG 4.39Å; F102-P106 WeakPolarHBondContact O-CD 3.44Å; W103-P106 HydrophobicContact CE3-CG 4.33Å; P106-S108 VanDerWaalsContact C-N 3.3Å; P106-S108 PolarHBondContact O-N 3.05Å; P106-L109 PolarHBondContact O-N 2.79Å; P106-L110 WeakPolarHBondContact O-CG 3.43Å; P106-L110 PolarHBondContact O-N 3.46Å |
| 107 | P | 98.6 | Very high | 97.8 | Very high | 53 Ų | 53 | 41.2 Ų | 41.2 | 34% | 0.344 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.5 | -34 | 176.7 | 25.1 | -32.3 | 0 | 0 | 0 | 112.3 | W103 L104 L110 L111 L152 | W103-P107 WeakPolarHBondContact O-CD 3.19Å; W103-P107 WeakPolarHBondContact O-CG 3.48Å; L104-P107 WeakPolarHBondContact O-CD 3.38Å; L104-P107 WeakPolarHBondContact O-CG 3.38Å; P107-L110 PolarHBondContact O-N 3.35Å; P107-L111 WeakPolarHBondContact O-CG 3.26Å; P107-L111 PolarHBondContact O-N 3.34Å; P107-L152 HydrophobicContact CB-CD1 4.38Å |
| 108 | S | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 173.3 | 175.1 | 0 | 0 | 0 | 0 | 111.8 | F68 L104 L105 P106 L110 L111 L112 S149 A153 | F68-S108 VanDerWaalsContact CE1-OG 3.3Å; F68-S108 WeakPolarHBondContact CE1-OG 3.5Å; F68-S108 WeakPolarHBondContact CZ-OG 3.31Å; L104-S108 WeakPolarHBondContact O-CB 3.43Å; L104-S108 PolarHBondContact O-N 2.72Å; L105-S108 WeakPolarHBondContact O-CB 3.09Å; L105-S108 PolarHBondContact O-N 3.46Å; P106-S108 VanDerWaalsContact C-N 3.3Å; P106-S108 PolarHBondContact O-N 3.05Å; S108-L110 VanDerWaalsContact C-N 3.34Å; S108-L110 PolarHBondContact O-N 3.23Å; S108-L111 WeakPolarHBondContact O-CB 3.35Å; S108-L111 PolarHBondContact O-N 2.77Å; S108-L112 PolarHBondContact O-N 3.42Å; S108-L112 VanDerWaalsContact O-N 3.08Å; S108-S149 WeakPolarHBondContact O-CB 3.27Å; S108-S149 PolarHBondContact O-OG 2.84Å; S108-S149 VanDerWaalsContact O-OG 3.05Å; S108-S149 PolarHBondContact OG-O 3.43Å; S108-S149 PolarHBondContact OG-OG 2.68Å; S108-A153 PolarHBondContact OG-N 3.47Å |
| 109 | L | 98.6 | Very high | 97.5 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 176.8 | -178.3 | 55.1 | 0 | 0 | 0 | 111.8 | F22 W25 A26 V64 F68 L105 P106 L111 L112 L113 | F22-L109 HydrophobicContact CE2-CB 4.3Å; F22-L109 HydrophobicContact CE2-CD2 3.72Å; F22-L109 HydrophobicContact CZ-CB 3.92Å; F22-L109 HydrophobicContact CZ-CD2 3.61Å; F22-L109 HydrophobicContact CZ-CG 4.42Å; W25-L109 HydrophobicContact CE3-CD2 4.04Å; W25-L109 HydrophobicContact CZ3-CD2 3.65Å; A26-L109 HydrophobicContact CB-CD2 4.34Å; V64-L109 HydrophobicContact CG2-CD1 4.2Å; F68-L109 HydrophobicContact CB-CD1 4.25Å; F68-L109 HydrophobicContact CD1-CB 3.72Å; F68-L109 HydrophobicContact CD1-CD1 4.11Å; F68-L109 HydrophobicContact CD1-CG 4.34Å; F68-L109 HydrophobicContact CD2-CD1 4.05Å; F68-L109 HydrophobicContact CE1-CB 3.68Å; F68-L109 HydrophobicContact CE1-CD1 4.46Å; F68-L109 VanDerWaalsContact CE1-N 3.33Å; F68-L109 HydrophobicContact CE2-CD1 4.42Å; F68-L109 HydrophobicContact CG-CB 4.35Å; F68-L109 HydrophobicContact CG-CD1 3.85Å; F68-L109 HydrophobicContact CZ-CB 4.31Å; L105-L109 PolarHBondContact O-N 2.74Å; P106-L109 PolarHBondContact O-N 2.79Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 3.35Å; L109-L112 HydrophobicContact CD1-CD2 4.42Å; L109-L112 WeakPolarHBondContact O-CB 3.33Å; L109-L112 PolarHBondContact O-N 3.25Å; L109-L112 VanDerWaalsContact O-N 3.16Å; L109-L113 HydrophobicContact CD1-CD1 4.36Å; L109-L113 HydrophobicContact CD1-CD2 4.4Å; L109-L113 HydrophobicContact CD1-CG 4.13Å; L109-L113 HydrophobicContact CG-CD1 4.21Å; L109-L113 HydrophobicContact CG-CG 4.39Å; L109-L113 WeakPolarHBondContact O-CG 3.33Å; L109-L113 PolarHBondContact O-N 2.95Å |
| 110 | L | 98.4 | Very high | 97.2 | Very high | 118 Ų | 118 | 48.9 Ų | 48.9 | 62% | 0.618 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -61.1 | -39.1 | 176 | -70.6 | 174.1 | 0 | 0 | 0 | 112.1 | P106 P107 S108 L113 A114 | P106-L110 WeakPolarHBondContact O-CG 3.43Å; P106-L110 PolarHBondContact O-N 3.46Å; P107-L110 PolarHBondContact O-N 3.35Å; S108-L110 VanDerWaalsContact C-N 3.34Å; S108-L110 PolarHBondContact O-N 3.23Å; L110-L113 PolarHBondContact O-N 3.09Å; L110-A114 VanDerWaalsContact O-CB 3.23Å; L110-A114 WeakPolarHBondContact O-CB 3.41Å; L110-A114 PolarHBondContact O-N 3.27Å |
| 111 | L | 98.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 43.8 Ų | 43.8 | 25% | 0.251 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.8 | -40.8 | 173.8 | -70.8 | 172.2 | 0 | 0 | 0 | 111.9 | P107 S108 L109 A114 S115 L145 F148 L152 | P107-L111 WeakPolarHBondContact O-CG 3.26Å; P107-L111 PolarHBondContact O-N 3.34Å; S108-L111 WeakPolarHBondContact O-CB 3.35Å; S108-L111 PolarHBondContact O-N 2.77Å; L109-L111 VanDerWaalsContact C-N 3.3Å; L109-L111 PolarHBondContact O-N 3.35Å; L111-A114 PolarHBondContact O-N 3.25Å; L111-S115 WeakPolarHBondContact O-CB 3.5Å; L111-S115 PolarHBondContact O-N 3.11Å; L111-L145 HydrophobicContact CD2-CD2 3.85Å; L111-F148 HydrophobicContact CD1-CB 3.95Å; L111-L152 HydrophobicContact CD1-CD1 3.66Å |
| 112 | L | 98.4 | Very high | 97.2 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.8 | -43.2 | 175.4 | -176.3 | 68.7 | 0 | 0 | 0 | 112 | F63 V64 F68 S108 L109 S115 A116 T146 | F63-L112 HydrophobicContact CB-CD1 4.02Å; F63-L112 HydrophobicContact CB-CD2 3.58Å; F63-L112 HydrophobicContact CB-CG 4.47Å; F63-L112 HydrophobicContact CD2-CD1 3.9Å; F63-L112 HydrophobicContact CG-CD1 4.21Å; V64-L112 HydrophobicContact CG2-CD2 3.78Å; F68-L112 HydrophobicContact CD2-CD2 3.98Å; F68-L112 HydrophobicContact CE2-CB 4.45Å; F68-L112 HydrophobicContact CE2-CD2 3.62Å; S108-L112 PolarHBondContact O-N 3.42Å; S108-L112 VanDerWaalsContact O-N 3.08Å; L109-L112 HydrophobicContact CD1-CD2 4.42Å; L109-L112 WeakPolarHBondContact O-CB 3.33Å; L109-L112 PolarHBondContact O-N 3.25Å; L109-L112 VanDerWaalsContact O-N 3.16Å; L112-S115 VanDerWaalsContact O-CB 3.28Å; L112-S115 WeakPolarHBondContact O-CB 3.48Å; L112-S115 PolarHBondContact O-N 3.38Å; L112-A116 PolarHBondContact O-N 3.21Å; L112-T146 HydrophobicContact CD1-CG2 4.33Å |
| 113 | L | 97.6 | Very high | 97.1 | Very high | 46 Ų | 46 | 43.9 Ų | 43.9 | 24% | 0.241 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -70.5 | -37.7 | 178.8 | -61.5 | -179.3 | 0 | 0 | 0 | 111.6 | W25 L29 L109 L110 S115 A116 M117 | W25-L113 HydrophobicContact CH2-CD1 4.34Å; L29-L113 HydrophobicContact CD2-CD1 3.85Å; L29-L113 HydrophobicContact CD2-CD2 3.7Å; L29-L113 HydrophobicContact CD2-CG 4.38Å; L109-L113 HydrophobicContact CD1-CD1 4.36Å; L109-L113 HydrophobicContact CD1-CD2 4.4Å; L109-L113 HydrophobicContact CD1-CG 4.13Å; L109-L113 HydrophobicContact CG-CD1 4.21Å; L109-L113 HydrophobicContact CG-CG 4.39Å; L109-L113 WeakPolarHBondContact O-CG 3.33Å; L109-L113 PolarHBondContact O-N 2.95Å; L110-L113 PolarHBondContact O-N 3.09Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.04Å; L113-A116 PolarHBondContact O-N 3.38Å; L113-M117 WeakPolarHBondContact O-CG 3.36Å; L113-M117 PolarHBondContact O-N 2.91Å |
| 114 | A | 97.8 | Very high | 97 | Very high | 39 Ų | 39 | 39.5 Ų | 39.5 | 32% | 0.322 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -61.5 | -41 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | L110 L111 A116 M117 V118 L145 | L110-A114 VanDerWaalsContact O-CB 3.23Å; L110-A114 WeakPolarHBondContact O-CB 3.41Å; L110-A114 PolarHBondContact O-N 3.27Å; L111-A114 PolarHBondContact O-N 3.25Å; A114-A116 VanDerWaalsContact C-N 3.25Å; A114-A116 PolarHBondContact O-N 2.79Å; A114-M117 PolarHBondContact O-N 3.36Å; A114-V118 WeakPolarHBondContact O-CB 3.2Å; A114-V118 VanDerWaalsContact O-CG2 3.28Å; A114-V118 WeakPolarHBondContact O-CG2 3.34Å; A114-V118 PolarHBondContact O-N 3.41Å; A114-L145 HydrophobicContact CB-CD1 4.29Å |
| 115 | S | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 38.3 Ų | 38.3 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -54.4 | -40.9 | 175 | 172.1 | 0 | 0 | 0 | 0 | 112.2 | L111 L112 L113 M117 G121 S142 T146 | L111-S115 WeakPolarHBondContact O-CB 3.5Å; L111-S115 PolarHBondContact O-N 3.11Å; L112-S115 VanDerWaalsContact O-CB 3.28Å; L112-S115 WeakPolarHBondContact O-CB 3.48Å; L112-S115 PolarHBondContact O-N 3.38Å; L113-S115 VanDerWaalsContact C-N 3.3Å; L113-S115 PolarHBondContact O-N 3.04Å; S115-M117 VanDerWaalsContact C-N 3.27Å; S115-M117 PolarHBondContact O-N 2.73Å; S115-G121 VanDerWaalsContact O-CA 3.3Å; S115-G121 WeakPolarHBondContact O-CA 3.39Å; S115-S142 WeakPolarHBondContact CB-O 3.12Å; S115-S142 WeakPolarHBondContact O-CB 3.33Å; S115-S142 PolarHBondContact OG-O 3.32Å; S115-T146 PolarHBondContact OG-OG1 3.33Å |
| 116 | A | 94.4 | Very high | 96.8 | Very high | 31 Ų | 31 | 39.6 Ų | 39.6 | 26% | 0.256 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -70.3 | -21.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V56 L112 L113 A114 | V56-A116 HydrophobicContact CG1-CB 3.89Å; L112-A116 PolarHBondContact O-N 3.21Å; L113-A116 PolarHBondContact O-N 3.38Å; A114-A116 VanDerWaalsContact C-N 3.25Å; A114-A116 PolarHBondContact O-N 2.79Å |
| 117 | M | 94 | Very high | 96.7 | Very high | 161 Ų | 161 | 38 Ų | 38 | 79% | 0.793 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -104 | -19 | -175.5 | -60.4 | -59.4 | -65.3 | 0 | 0 | 113.6 | L113 A114 S115 | L113-M117 WeakPolarHBondContact O-CG 3.36Å; L113-M117 PolarHBondContact O-N 2.91Å; A114-M117 PolarHBondContact O-N 3.36Å; S115-M117 VanDerWaalsContact C-N 3.27Å; S115-M117 PolarHBondContact O-N 2.73Å |
| 118 | V | 95.4 | Very high | 96.6 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 32% | 0.315 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -83.3 | 129.1 | 179.8 | 169.1 | 0 | 0 | 0 | 0 | 109.7 | A114 A120 G121 A141 L145 | A114-V118 WeakPolarHBondContact O-CB 3.2Å; A114-V118 VanDerWaalsContact O-CG2 3.28Å; A114-V118 WeakPolarHBondContact O-CG2 3.34Å; A114-V118 PolarHBondContact O-N 3.41Å; V118-A120 PolarHBondContact O-N 3.46Å; V118-G121 PolarHBondContact O-N 2.96Å; V118-A141 HydrophobicContact CG1-CB 4.37Å; V118-L145 HydrophobicContact CB-CD1 4.1Å; V118-L145 HydrophobicContact CG1-CD1 4.39Å; V118-L145 HydrophobicContact CG2-CD1 3.9Å |
| 119 | E | 93.1 | Very high | 96.6 | Very high | 125 Ų | 125 | 37.8 Ų | 37.8 | 58% | 0.584 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | -120.9 | -178.5 | -59.9 | 168.2 | -167 | 0 | 0 | 112 | G140 A141 | E119-G140 VanDerWaalsContact CD-CA 3.47Å; E119-G140 VanDerWaalsContact OE1-CA 3.31Å; E119-G140 WeakPolarHBondContact OE1-CA 3.33Å; E119-G140 WeakPolarHBondContact OE2-CA 3.13Å; E119-G140 PolarHBondContact OE2-N 3.03Å; E119-A141 VanDerWaalsContact CD-N 3.32Å; E119-A141 PolarHBondContact OE1-N 2.86Å; E119-A141 PolarHBondContact OE2-N 3.25Å |
| 120 | A | 92.9 | Very high | 96.5 | Very high | 64 Ų | 64 | 38.1 Ų | 38.1 | 53% | 0.529 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -8.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | H52 V56 V118 | H52-A120 PolarHBondContact CD2-O 3.42Å; H52-A120 PolarHBondContact NE2-O 2.84Å; V56-A120 WeakPolarHBondContact CG2-O 3.37Å; V118-A120 PolarHBondContact O-N 3.46Å |
| 121 | G | 96.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | trans | 80.4 | 166.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | H52 S115 V118 G123 S142 | H52-G121 PolarHBondContact NE2-O 3.32Å; S115-G121 VanDerWaalsContact O-CA 3.3Å; S115-G121 WeakPolarHBondContact O-CA 3.39Å; V118-G121 PolarHBondContact O-N 2.96Å; G121-G123 PolarHBondContact O-N 3.33Å; G121-S142 PolarHBondContact O-OG 3.09Å; G121-S142 VanDerWaalsContact O-OG 3.06Å | ||
| 122 | A | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 38.2 Ų | 38.2 | 3% | 0.033 | 22% | 0.221 | C | C | . | . | trans | -88.4 | 95.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T59 V143 | T59-A122 WeakPolarHBondContact CB-O 3.37Å; T59-A122 WeakPolarHBondContact CG2-O 3.46Å; T59-A122 PolarHBondContact OG1-O 3.49Å; A122-V143 HydrophobicContact CB-CG2 4.29Å | ||
| 123 | G | 96.8 | Very high | 96.2 | Very high | 7 Ų | 7 | 38 Ų | 38 | 7% | 0.072 | 22% | 0.219 | C | C | . | . | trans | -96.1 | 28 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | G121 H138 | G121-G123 PolarHBondContact O-N 3.33Å; G123-H138 PolarHBondContact N-NE2 2.93Å; G123-H138 VanDerWaalsContact N-NE2 3.2Å | ||
| 124 | T | 96.6 | Very high | 96.1 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.025 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -88.2 | -7 | -169.9 | 57.2 | 0 | 0 | 0 | 0 | 113.8 | L132 A133 V143 | T124-L132 HydrophobicContact CG2-CG 4.39Å; T124-A133 HydrophobicContact CG2-CB 3.83Å; T124-V143 HydrophobicContact CG2-CG2 4.05Å |
| 125 | G | 96.3 | Very high | 96 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 161.5 | -164 | 0 | 0 | 0 | 0 | 0 | 112 | T59 T127 V128 | T59-G125 WeakPolarHBondContact OG1-CA 3.28Å; T59-G125 PolarHBondContact OG1-N 3.39Å; G125-T127 PolarHBondContact O-N 2.94Å; G125-V128 PolarHBondContact O-N 3.46Å |
| 126 | W | 96.5 | Very high | 95.7 | Very high | 30 Ų | 30 | 48.8 Ų | 48.8 | 11% | 0.114 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -14 | -176.5 | 80.4 | -82.1 | 0 | 0 | 0 | 114.8 | A62 F63 I66 F235 W236 | A62-W126 HydrophobicContact CB-CB 3.59Å; A62-W126 HydrophobicContact CB-CG 4.03Å; F63-W126 HydrophobicContact CD1-CB 4.46Å; F63-W126 HydrophobicContact CE1-CB 4.17Å; F63-W126 WeakPolarHBondContact CE1-O 3.35Å; F63-W126 HydrophobicContact CE2-CB 4.42Å; F63-W126 HydrophobicContact CZ-CB 4.16Å; F63-W126 WeakPolarHBondContact CZ-O 3.37Å; I66-W126 HydrophobicContact CD1-CE3 4.18Å; I66-W126 HydrophobicContact CD1-CZ3 4.31Å; W126-F235 HydrophobicContact CD2-CZ 4.31Å; W126-F235 AromaticContact CE3-CZ 3.71Å; W126-F235 HydrophobicContact CE3-CZ 3.71Å; W126-F235 AromaticContact CH2-CE1 3.89Å; W126-F235 HydrophobicContact CH2-CE1 3.89Å; W126-F235 AromaticContact CH2-CZ 3.85Å; W126-F235 HydrophobicContact CH2-CZ 3.85Å; W126-F235 HydrophobicContact CZ2-CE1 4.33Å; W126-F235 HydrophobicContact CZ2-CZ 4.43Å; W126-F235 HydrophobicContact CZ3-CE1 4Å; W126-F235 AromaticContact CZ3-CZ 3.46Å; W126-F235 HydrophobicContact CZ3-CZ 3.46Å; W126-F235 VanDerWaalsContact CZ3-CZ 3.46Å; W126-W236 HydrophobicContact CH2-CH2 4.27Å; W126-W236 HydrophobicContact CH2-CZ3 4.06Å; W126-W236 AromaticContact CZ2-CH2 3.79Å; W126-W236 HydrophobicContact CZ2-CH2 3.79Å; W126-W236 HydrophobicContact CZ2-CZ3 4.02Å |
| 127 | T | 96.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -21.9 | 176.7 | 57.2 | 0 | 0 | 0 | 0 | 112.9 | G125 Y129 Y231 F235 W236 | G125-T127 PolarHBondContact O-N 2.94Å; T127-Y129 VanDerWaalsContact C-N 3.33Å; T127-Y129 VanDerWaalsContact CB-CE1 3.49Å; T127-Y129 HydrophobicContact CG2-CE1 4.24Å; T127-Y129 HydrophobicContact CG2-CE2 4.37Å; T127-Y129 PolarHBondContact O-N 3.13Å; T127-Y231 WeakPolarHBondContact O-CE1 3.22Å; T127-Y231 PolarHBondContact O-OH 3.36Å; T127-F235 HydrophobicContact CG2-CD1 4.35Å; T127-F235 HydrophobicContact CG2-CE1 3.67Å; T127-F235 HydrophobicContact CG2-CZ 3.93Å; T127-W236 HydrophobicContact CG2-CH2 4.38Å; T127-W236 HydrophobicContact CG2-CZ2 4.14Å |
| 128 | V | 97.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.012 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 45.4 | 176 | -159 | 0 | 0 | 0 | 0 | 112.3 | F63 G125 A133 V143 L209 Y231 | F63-V128 HydrophobicContact CE2-CG2 4.2Å; F63-V128 HydrophobicContact CZ-CG2 3.63Å; G125-V128 PolarHBondContact O-N 3.46Å; V128-A133 HydrophobicContact CG1-CB 3.64Å; V128-A133 WeakPolarHBondContact O-CB 3.23Å; V128-V143 HydrophobicContact CG1-CG1 4.02Å; V128-L209 HydrophobicContact CG1-CD2 3.82Å; V128-Y231 PolarHBondContact O-OH 3.26Å |
| 129 | Y | 97.4 | Very high | 95.7 | Very high | 45 Ų | 45 | 45.3 Ų | 45.3 | 18% | 0.176 | 25% | 0.248 | C | C | . | . | trans | -70.6 | 130 | -175.1 | -69.5 | -25.7 | 0 | 0 | 0 | 113 | T127 L132 A133 Y231 Q232 F235 W236 | T127-Y129 VanDerWaalsContact C-N 3.33Å; T127-Y129 VanDerWaalsContact CB-CE1 3.49Å; T127-Y129 HydrophobicContact CG2-CE1 4.24Å; T127-Y129 HydrophobicContact CG2-CE2 4.37Å; T127-Y129 PolarHBondContact O-N 3.13Å; Y129-L132 WeakPolarHBondContact O-CB 3.34Å; Y129-L132 PolarHBondContact O-N 3.22Å; Y129-A133 PolarHBondContact O-N 3.38Å; Y129-Y231 AromaticContact CD1-CD1 3.59Å; Y129-Y231 HydrophobicContact CD1-CD1 3.59Å; Y129-Y231 AromaticContact CD1-CE1 3.61Å; Y129-Y231 HydrophobicContact CD1-CE1 3.61Å; Y129-Y231 HydrophobicContact CE1-CD1 4.11Å; Y129-Y231 HydrophobicContact CE1-CE1 4.12Å; Y129-Q232 HydrophobicContact CD1-CG 4.23Å; Y129-Q232 HydrophobicContact CE1-CG 3.87Å; Y129-Q232 HydrophobicContact CE2-CG 4.44Å; Y129-F235 HydrophobicContact CE1-CD1 4.36Å; Y129-F235 HydrophobicContact CE1-CG 4.44Å; Y129-W236 AromaticContact CZ-NE1 3.97Å; Y129-W236 WeakPolarHBondContact OH-CZ2 3.47Å; Y129-W236 PolarHBondContact OH-NE1 3.37Å | ||
| 130 | P | 96.4 | Very high | 95.7 | Very high | 13 Ų | 13 | 40 Ų | 40 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 152.8 | 157.7 | 29.3 | -30.9 | 0 | 0 | 0 | 110.2 | L132 L209 F220 Y231 | P130-L132 VanDerWaalsContact C-N 3.35Å; P130-L209 HydrophobicContact CB-CD1 4.13Å; P130-L209 HydrophobicContact CG-CD1 4.43Å; P130-F220 HydrophobicContact CB-CB 3.84Å; P130-F220 HydrophobicContact CG-CB 3.54Å; P130-F220 HydrophobicContact CG-CD2 4.01Å; P130-F220 HydrophobicContact CG-CG 3.79Å; P130-Y231 HydrophobicContact CG-CD1 4.42Å; P130-Y231 HydrophobicContact CG-CD2 4.08Å; P130-Y231 HydrophobicContact CG-CG 3.8Å |
| 131 | P | 95.9 | Very high | 95.9 | Very high | 88 Ų | 88 | 38.7 Ų | 38.7 | 57% | 0.571 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -80.5 | -6.7 | 1.4 | 33.5 | -36.3 | 0 | 0 | 0 | 114 | A133 G134 | P131-A133 VanDerWaalsContact C-N 3.28Å; P131-A133 PolarHBondContact O-N 2.87Å; P131-G134 PolarHBondContact O-N 3.09Å |
| 132 | L | 96.9 | Very high | 96 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 42% | 0.419 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -37.3 | -178.9 | -177.7 | 65 | 0 | 0 | 0 | 111.9 | T124 Y129 P130 G134 S137 H138 | T124-L132 HydrophobicContact CG2-CG 4.39Å; Y129-L132 WeakPolarHBondContact O-CB 3.34Å; Y129-L132 PolarHBondContact O-N 3.22Å; P130-L132 VanDerWaalsContact C-N 3.35Å; L132-G134 VanDerWaalsContact C-N 3.27Å; L132-G134 PolarHBondContact O-N 3.09Å; L132-S137 VanDerWaalsContact O-CB 3.22Å; L132-S137 WeakPolarHBondContact O-CB 3.4Å; L132-H138 PolarHBondContact O-ND1 3.3Å |
| 133 | A | 97.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -3.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T124 V128 Y129 P131 V143 L209 R213 | T124-A133 HydrophobicContact CG2-CB 3.83Å; V128-A133 HydrophobicContact CG1-CB 3.64Å; V128-A133 WeakPolarHBondContact O-CB 3.23Å; Y129-A133 PolarHBondContact O-N 3.38Å; P131-A133 VanDerWaalsContact C-N 3.28Å; P131-A133 PolarHBondContact O-N 2.87Å; A133-V143 HydrophobicContact CB-CG1 4.29Å; A133-L209 HydrophobicContact CB-CD1 4.39Å; A133-L209 HydrophobicContact CB-CD2 3.9Å; A133-R213 WeakPolarHBondContact O-CD 3.24Å; A133-R213 PolarHBondContact O-NH1 3.4Å |
| 134 | G | 95.8 | Very high | 96.1 | Very high | 16 Ų | 16 | 39 Ų | 39 | 17% | 0.165 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -79.8 | 169.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | P131 L132 Y136 S137 H138 | P131-G134 PolarHBondContact O-N 3.09Å; L132-G134 VanDerWaalsContact C-N 3.27Å; L132-G134 PolarHBondContact O-N 3.09Å; G134-Y136 PolarHBondContact O-N 2.98Å; G134-S137 PolarHBondContact O-N 3.49Å; G134-S137 VanDerWaalsContact O-N 3.17Å; G134-H138 PolarHBondContact O-N 3.25Å |
| 135 | N | 94 | Very high | 96.2 | Very high | 68 Ų | 68 | 40.5 Ų | 40.5 | 36% | 0.364 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -23.9 | -176.5 | -75.7 | -11.8 | 0 | 0 | 0 | 114.5 | S137 P139 R213 | N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact O-N 3.43Å; N135-P139 VanDerWaalsContact O-CA 3.25Å; N135-P139 WeakPolarHBondContact O-CA 3.36Å; N135-P139 WeakPolarHBondContact O-CB 3.5Å; N135-R213 PolarHBondContact ND2-O 3.32Å; N135-R213 PolarHBondContact OD1-NH1 2.72Å |
| 136 | Y | 92 | Very high | 96.3 | Very high | 230 Ų | 230 | 40.5 Ų | 40.5 | 90% | 0.902 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -35.8 | 177.4 | -170.5 | -92.3 | 0 | 0 | 0 | 112.1 | G134 | G134-Y136 PolarHBondContact O-N 2.98Š|
| 137 | S | 94.4 | Very high | 96.4 | Very high | 55 Ų | 55 | 39.1 Ų | 39.1 | 39% | 0.385 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | -34.5 | -177.6 | -56.9 | 0 | 0 | 0 | 0 | 113 | L132 G134 N135 | L132-S137 VanDerWaalsContact O-CB 3.22Å; L132-S137 WeakPolarHBondContact O-CB 3.4Å; G134-S137 PolarHBondContact O-N 3.49Å; G134-S137 VanDerWaalsContact O-N 3.17Å; N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact O-N 3.43Å |
| 138 | H | 96.6 | Very high | 96.5 | Very high | 14 Ų | 14 | 43.9 Ų | 43.9 | 7% | 0.065 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -127.9 | 83.1 | 177.5 | -72.7 | 78.1 | 0 | 0 | 0 | 109.6 | H52 G123 L132 G134 G140 V143 R213 | H52-H138 AromaticContact CE1-NE2 3.48Å; H52-H138 PolarHBondContact CE1-NE2 2.86Å; G123-H138 PolarHBondContact N-NE2 2.93Å; G123-H138 VanDerWaalsContact N-NE2 3.2Å; L132-H138 PolarHBondContact O-ND1 3.3Å; G134-H138 PolarHBondContact O-N 3.25Å; H138-G140 PolarHBondContact O-N 3.34Å; H138-V143 HydrophobicContact CB-CG2 3.71Å; H138-R213 PolarHBondContact O-NH1 3.14Å; H138-R213 PolarHBondContact O-NH2 2.98Å |
| 139 | P | 93 | Very high | 96.6 | Very high | 102 Ų | 102 | 43.8 Ų | 43.8 | 66% | 0.662 | 24% | 0.238 | S | C | * | . | trans | -74.3 | -17.8 | -165.5 | 26.2 | -35.1 | 0 | 0 | 0 | 116.2 | N135 | N135-P139 VanDerWaalsContact O-CA 3.25Å; N135-P139 WeakPolarHBondContact O-CA 3.36Å; N135-P139 WeakPolarHBondContact O-CB 3.5Å | ||
| 140 | G | 94.4 | Very high | 96.6 | Very high | 14 Ų | 14 | 42.1 Ų | 42.1 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -124.7 | -161 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | E119 H138 S142 R213 | E119-G140 VanDerWaalsContact CD-CA 3.47Å; E119-G140 VanDerWaalsContact OE1-CA 3.31Å; E119-G140 WeakPolarHBondContact OE1-CA 3.33Å; E119-G140 WeakPolarHBondContact OE2-CA 3.13Å; E119-G140 PolarHBondContact OE2-N 3.03Å; H138-G140 PolarHBondContact O-N 3.34Å; G140-S142 PolarHBondContact O-N 3.48Å; G140-S142 VanDerWaalsContact O-N 3.07Å; G140-R213 PolarHBondContact O-NH2 3.31Å |
| 141 | A | 96.8 | Very high | 96.8 | Very high | 37 Ų | 37 | 43.6 Ų | 43.6 | 31% | 0.306 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -4.1 | -147.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V118 E119 V143 D144 L145 | V118-A141 HydrophobicContact CG1-CB 4.37Å; E119-A141 VanDerWaalsContact CD-N 3.32Å; E119-A141 PolarHBondContact OE1-N 2.86Å; E119-A141 PolarHBondContact OE2-N 3.25Å; A141-V143 PolarHBondContact O-N 3.44Å; A141-D144 PolarHBondContact O-N 3.39Å; A141-L145 WeakPolarHBondContact O-CG 3.46Å; A141-L145 PolarHBondContact O-N 2.98Å |
| 142 | S | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -46.6 | -175.8 | 64.9 | 0 | 0 | 0 | 0 | 112 | S115 G121 G140 D144 L145 T146 | S115-S142 WeakPolarHBondContact CB-O 3.12Å; S115-S142 WeakPolarHBondContact O-CB 3.33Å; S115-S142 PolarHBondContact OG-O 3.32Å; G121-S142 PolarHBondContact O-OG 3.09Å; G121-S142 VanDerWaalsContact O-OG 3.06Å; G140-S142 PolarHBondContact O-N 3.48Å; G140-S142 VanDerWaalsContact O-N 3.07Å; S142-D144 VanDerWaalsContact C-N 3.35Å; S142-D144 PolarHBondContact O-N 2.91Å; S142-L145 PolarHBondContact O-N 2.9Å; S142-T146 PolarHBondContact O-N 3.2Å; S142-T146 VanDerWaalsContact O-N 3.15Å; S142-T146 PolarHBondContact O-OG1 3.13Å |
| 143 | V | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -37.5 | 178.8 | 177.2 | 0 | 0 | 0 | 0 | 111.1 | A122 T124 V128 A133 H138 A141 L145 T146 I147 | A122-V143 HydrophobicContact CB-CG2 4.29Å; T124-V143 HydrophobicContact CG2-CG2 4.05Å; V128-V143 HydrophobicContact CG1-CG1 4.02Å; A133-V143 HydrophobicContact CB-CG1 4.29Å; H138-V143 HydrophobicContact CB-CG2 3.71Å; A141-V143 PolarHBondContact O-N 3.44Å; V143-L145 PolarHBondContact O-N 2.82Å; V143-T146 WeakPolarHBondContact O-CB 3.42Å; V143-T146 PolarHBondContact O-N 3.27Å; V143-T146 VanDerWaalsContact O-N 3.15Å; V143-I147 HydrophobicContact CG1-CD1 4.08Å; V143-I147 HydrophobicContact CG1-CG1 4.48Å; V143-I147 WeakPolarHBondContact O-CG1 3.35Å; V143-I147 PolarHBondContact O-N 3.49Å |
| 144 | D | 98.4 | Very high | 97 | Very high | 15 Ų | 15 | 38.9 Ų | 38.9 | 8% | 0.08 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -41.6 | 178.6 | -53.7 | -53.8 | 0 | 0 | 0 | 111.4 | A141 S142 T146 I147 F148 L210 R213 N214 | A141-D144 PolarHBondContact O-N 3.39Å; S142-D144 VanDerWaalsContact C-N 3.35Å; S142-D144 PolarHBondContact O-N 2.91Å; D144-T146 VanDerWaalsContact C-N 3.34Å; D144-T146 PolarHBondContact O-N 3.32Å; D144-I147 WeakPolarHBondContact O-CB 3.38Å; D144-I147 PolarHBondContact O-N 3.05Å; D144-F148 HydrophobicContact CB-CE2 4.41Å; D144-F148 WeakPolarHBondContact O-CD2 3.35Å; D144-F148 PolarHBondContact O-N 3.38Å; D144-L210 HydrophobicContact CB-CD1 4Å; D144-L210 VanDerWaalsContact OD1-CD1 3.3Å; D144-L210 WeakPolarHBondContact OD1-CD1 3.13Å; D144-R213 IonicContact OD1-CZ 3.78Å; D144-R213 IonicContact OD1-NE 3.47Å; D144-R213 PolarHBondContact OD1-NE 3.36Å; D144-R213 IonicContact OD1-NH2 2.91Å; D144-R213 PolarHBondContact OD1-NH2 3.4Å; D144-R213 IonicContact OD2-CZ 3.69Å; D144-R213 IonicContact OD2-NE 2.79Å; D144-R213 IonicContact OD2-NH2 3.58Å; D144-R213 PolarHBondContact OD2-NH2 2.87Å; D144-N214 PolarHBondContact OD1-ND2 3.47Å |
| 145 | L | 98.5 | Very high | 97.1 | Very high | 35 Ų | 35 | 41.4 Ų | 41.4 | 18% | 0.183 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.9 | -37.8 | 173.4 | -69.8 | 174.9 | 0 | 0 | 0 | 112.4 | L111 A114 V118 A141 S142 V143 F148 S149 | L111-L145 HydrophobicContact CD2-CD2 3.85Å; A114-L145 HydrophobicContact CB-CD1 4.29Å; V118-L145 HydrophobicContact CB-CD1 4.1Å; V118-L145 HydrophobicContact CG1-CD1 4.39Å; V118-L145 HydrophobicContact CG2-CD1 3.9Å; A141-L145 WeakPolarHBondContact O-CG 3.46Å; A141-L145 PolarHBondContact O-N 2.98Å; S142-L145 PolarHBondContact O-N 2.9Å; V143-L145 PolarHBondContact O-N 2.82Å; L145-F148 PolarHBondContact O-N 3.22Å; L145-S149 WeakPolarHBondContact O-CB 3.35Å; L145-S149 PolarHBondContact O-N 3.37Å |
| 146 | T | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 38.3 Ų | 38.3 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 172.2 | -66.9 | 0 | 0 | 0 | 0 | 110.6 | F63 L112 S115 S142 V143 D144 F148 S149 L150 | F63-T146 HydrophobicContact CD2-CG2 4.22Å; F63-T146 HydrophobicContact CE2-CG2 3.59Å; F63-T146 HydrophobicContact CZ-CG2 3.96Å; L112-T146 HydrophobicContact CD1-CG2 4.33Å; S115-T146 PolarHBondContact OG-OG1 3.33Å; S142-T146 PolarHBondContact O-N 3.2Å; S142-T146 VanDerWaalsContact O-N 3.15Å; S142-T146 PolarHBondContact O-OG1 3.13Å; V143-T146 WeakPolarHBondContact O-CB 3.42Å; V143-T146 PolarHBondContact O-N 3.27Å; V143-T146 VanDerWaalsContact O-N 3.15Å; D144-T146 VanDerWaalsContact C-N 3.34Å; D144-T146 PolarHBondContact O-N 3.32Å; T146-F148 PolarHBondContact O-N 2.98Å; T146-S149 WeakPolarHBondContact O-CB 3.32Å; T146-S149 PolarHBondContact O-N 2.87Å; T146-L150 HydrophobicContact CG2-CD1 4.24Å; T146-L150 HydrophobicContact CG2-CG 4.5Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 2.79Å |
| 147 | I | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.9 | -46 | 178.1 | -68.2 | 168.6 | 0 | 0 | 0 | 110.7 | V143 D144 S149 L150 H151 I206 L209 L210 | V143-I147 HydrophobicContact CG1-CD1 4.08Å; V143-I147 HydrophobicContact CG1-CG1 4.48Å; V143-I147 WeakPolarHBondContact O-CG1 3.35Å; V143-I147 PolarHBondContact O-N 3.49Å; D144-I147 WeakPolarHBondContact O-CB 3.38Å; D144-I147 PolarHBondContact O-N 3.05Å; I147-S149 PolarHBondContact O-N 2.94Å; I147-L150 PolarHBondContact O-N 2.85Å; I147-H151 WeakPolarHBondContact CG2-CE1 3.44Å; I147-H151 WeakPolarHBondContact CG2-ND1 3.16Å; I147-H151 PolarHBondContact O-N 3.45Å; I147-H151 PolarHBondContact O-ND1 3.47Å; I147-I206 HydrophobicContact CG1-CB 4.4Å; I147-I206 HydrophobicContact CG2-CB 4.11Å; I147-I206 HydrophobicContact CG2-CD1 4.25Å; I147-I206 HydrophobicContact CG2-CG1 4.24Å; I147-L209 HydrophobicContact CD1-CD2 4.15Å; I147-L209 HydrophobicContact CD1-CG 4.21Å; I147-L210 HydrophobicContact CD1-CB 4.18Å; I147-L210 HydrophobicContact CD1-CD1 4.14Å; I147-L210 HydrophobicContact CG2-CB 4.23Å; I147-L210 HydrophobicContact CG2-CD1 4.33Å; I147-L210 HydrophobicContact CG2-CD2 4.35Å |
| 148 | F | 98.7 | Very high | 97.8 | Very high | 100 Ų | 100 | 27.9 Ų | 27.9 | 44% | 0.439 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -64.3 | -39 | 176.8 | -70 | -54.4 | 0 | 0 | 0 | 112.8 | L111 D144 L145 T146 L150 H151 L152 L210 | L111-F148 HydrophobicContact CD1-CB 3.95Å; D144-F148 HydrophobicContact CB-CE2 4.41Å; D144-F148 WeakPolarHBondContact O-CD2 3.35Å; D144-F148 PolarHBondContact O-N 3.38Å; L145-F148 PolarHBondContact O-N 3.22Å; T146-F148 PolarHBondContact O-N 2.98Å; F148-L150 PolarHBondContact O-N 3.48Å; F148-H151 PolarHBondContact O-N 3.39Å; F148-L152 PolarHBondContact O-N 2.83Å; F148-L152 VanDerWaalsContact O-N 3.08Å; F148-L210 HydrophobicContact CE1-CD2 3.9Å; F148-L210 HydrophobicContact CZ-CD1 4.45Å; F148-L210 HydrophobicContact CZ-CD2 3.98Å |
| 149 | S | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.7 | -52.2 | 171.7 | 163.6 | 0 | 0 | 0 | 0 | 110.9 | S108 L145 T146 I147 H151 L152 A153 | S108-S149 WeakPolarHBondContact O-CB 3.27Å; S108-S149 PolarHBondContact O-OG 2.84Å; S108-S149 VanDerWaalsContact O-OG 3.05Å; S108-S149 PolarHBondContact OG-O 3.43Å; S108-S149 PolarHBondContact OG-OG 2.68Å; L145-S149 WeakPolarHBondContact O-CB 3.35Å; L145-S149 PolarHBondContact O-N 3.37Å; T146-S149 WeakPolarHBondContact O-CB 3.32Å; T146-S149 PolarHBondContact O-N 2.87Å; I147-S149 PolarHBondContact O-N 2.94Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.24Å; S149-L152 PolarHBondContact O-N 3.43Å; S149-A153 PolarHBondContact O-N 3.25Å |
| 150 | L | 98.3 | Very high | 98.1 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.1 | -35.8 | -178.7 | -67.2 | 177.2 | 0 | 0 | 0 | 112.9 | F63 F67 T146 I147 F148 G154 I206 | F63-L150 HydrophobicContact CD1-CD2 3.79Å; F63-L150 HydrophobicContact CE1-CD1 3.76Å; F63-L150 HydrophobicContact CE1-CD2 3.74Å; F63-L150 HydrophobicContact CE1-CG 4.27Å; F63-L150 HydrophobicContact CZ-CD1 3.93Å; F67-L150 HydrophobicContact CD1-CD2 4.37Å; F67-L150 HydrophobicContact CD2-CD2 4.06Å; F67-L150 HydrophobicContact CE1-CD2 4.36Å; F67-L150 HydrophobicContact CE2-CD2 4.01Å; F67-L150 HydrophobicContact CG-CD2 4.26Å; F67-L150 HydrophobicContact CZ-CD2 4.17Å; T146-L150 HydrophobicContact CG2-CD1 4.24Å; T146-L150 HydrophobicContact CG2-CG 4.5Å; T146-L150 WeakPolarHBondContact O-CG 3.47Å; T146-L150 PolarHBondContact O-N 2.79Å; I147-L150 PolarHBondContact O-N 2.85Å; F148-L150 PolarHBondContact O-N 3.48Å; L150-G154 PolarHBondContact O-N 3.26Å; L150-I206 HydrophobicContact CB-CD1 3.84Å |
| 151 | H | 98.8 | Very high | 98.3 | Very high | 44 Ų | 44 | 23.6 Ų | 23.6 | 20% | 0.204 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.5 | -48.4 | 172.8 | -78.6 | 95.2 | 0 | 0 | 0 | 112.1 | I147 F148 S149 A153 G154 V155 I206 T207 | I147-H151 WeakPolarHBondContact CG2-CE1 3.44Å; I147-H151 WeakPolarHBondContact CG2-ND1 3.16Å; I147-H151 PolarHBondContact O-N 3.45Å; I147-H151 PolarHBondContact O-ND1 3.47Å; F148-H151 PolarHBondContact O-N 3.39Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.24Å; H151-A153 PolarHBondContact O-N 3.48Å; H151-G154 PolarHBondContact O-N 3.12Å; H151-V155 WeakPolarHBondContact O-CG2 3.4Å; H151-V155 PolarHBondContact O-N 3.26Å; H151-I206 VanDerWaalsContact CE1-CD1 3.45Å; H151-I206 WeakPolarHBondContact CE1-CD1 3.47Å; H151-I206 VanDerWaalsContact CE1-CG1 3.4Å; H151-I206 WeakPolarHBondContact CE1-CG1 3.31Å; H151-T207 PolarHBondContact NE2-OG1 3.14Å |
| 152 | L | 98.5 | Very high | 98.4 | Very high | 54 Ų | 54 | 24.5 Ų | 24.5 | 28% | 0.283 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.4 | -41.9 | 179.3 | -70.8 | -175.5 | 0 | 0 | 0 | 112.1 | L104 P107 L111 F148 S149 G154 V155 S156 | L104-L152 HydrophobicContact CD2-CD2 4.29Å; P107-L152 HydrophobicContact CB-CD1 4.38Å; L111-L152 HydrophobicContact CD1-CD1 3.66Å; F148-L152 PolarHBondContact O-N 2.83Å; F148-L152 VanDerWaalsContact O-N 3.08Å; S149-L152 PolarHBondContact O-N 3.43Å; L152-G154 VanDerWaalsContact C-N 3.33Å; L152-V155 PolarHBondContact O-N 3.27Å; L152-S156 PolarHBondContact O-N 2.92Å |
| 153 | A | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.2 | -41.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F68 L105 S108 S149 H151 S156 S157 | F68-A153 HydrophobicContact CZ-CB 4.48Å; L105-A153 HydrophobicContact CD2-CB 4.38Å; S108-A153 PolarHBondContact OG-N 3.47Å; S149-A153 PolarHBondContact O-N 3.25Å; H151-A153 PolarHBondContact O-N 3.48Å; A153-S156 WeakPolarHBondContact O-CB 3.32Å; A153-S156 PolarHBondContact O-N 2.76Å; A153-S157 PolarHBondContact O-N 2.97Å; A153-S157 PolarHBondContact O-OG 3.14Å |
| 154 | G | 98.1 | Very high | 98.5 | Very high | 13 Ų | 13 | 24.5 Ų | 24.5 | 13% | 0.134 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.9 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L150 H151 L152 S156 S157 I158 | L150-G154 PolarHBondContact O-N 3.26Å; H151-G154 PolarHBondContact O-N 3.12Å; L152-G154 VanDerWaalsContact C-N 3.33Å; G154-S156 PolarHBondContact O-N 3.49Å; G154-S157 PolarHBondContact O-N 3.05Å; G154-I158 WeakPolarHBondContact O-CG1 3.43Å; G154-I158 PolarHBondContact O-N 3.4Å |
| 155 | V | 98.6 | Very high | 98.5 | Very high | 69 Ų | 69 | 25.2 Ų | 25.2 | 42% | 0.418 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -61.9 | -44.3 | 175.4 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L104 H151 L152 S157 I158 L159 | L104-V155 HydrophobicContact CD1-CB 4.18Å; L104-V155 HydrophobicContact CD1-CG1 3.66Å; H151-V155 WeakPolarHBondContact O-CG2 3.4Å; H151-V155 PolarHBondContact O-N 3.26Å; L152-V155 PolarHBondContact O-N 3.27Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 3.47Å; V155-I158 PolarHBondContact O-N 3.02Å; V155-L159 HydrophobicContact CG1-CD1 4.05Å; V155-L159 HydrophobicContact CG1-CG 4.31Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.26Å; V155-L159 PolarHBondContact O-N 3.44Å |
| 156 | S | 98.6 | Very high | 98.5 | Very high | 4 Ų | 4 | 25.1 Ų | 25.1 | 3% | 0.028 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -51.3 | -52.2 | 172.6 | 156.3 | 0 | 0 | 0 | 0 | 111.5 | S101 L152 A153 G154 L159 G160 | S101-S156 WeakPolarHBondContact CB-O 3.14Å; S101-S156 WeakPolarHBondContact O-CB 3.11Å; S101-S156 PolarHBondContact O-OG 2.84Å; L152-S156 PolarHBondContact O-N 2.92Å; A153-S156 WeakPolarHBondContact O-CB 3.32Å; A153-S156 PolarHBondContact O-N 2.76Å; G154-S156 PolarHBondContact O-N 3.49Å; S156-L159 PolarHBondContact O-N 3.46Å; S156-G160 PolarHBondContact O-N 3.24Å |
| 157 | S | 98 | Very high | 98.5 | Very high | 21 Ų | 21 | 25 Ų | 25 | 15% | 0.147 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -36.3 | -176.7 | -66.4 | 0 | 0 | 0 | 0 | 113.4 | A153 G154 V155 G160 A161 | A153-S157 PolarHBondContact O-N 2.97Å; A153-S157 PolarHBondContact O-OG 3.14Å; G154-S157 PolarHBondContact O-N 3.05Å; V155-S157 VanDerWaalsContact C-N 3.33Å; V155-S157 PolarHBondContact O-N 3.47Å; S157-G160 PolarHBondContact O-N 2.85Å; S157-A161 VanDerWaalsContact O-CB 3.29Å; S157-A161 WeakPolarHBondContact O-CB 3.31Å; S157-A161 PolarHBondContact O-N 3.35Å |
| 158 | I | 98.4 | Very high | 98.4 | Very high | 44 Ų | 44 | 24.9 Ų | 24.9 | 23% | 0.226 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 175.6 | -69.4 | 168.3 | 0 | 0 | 0 | 110.9 | G154 V155 G160 A161 I162 L196 L199 | G154-I158 WeakPolarHBondContact O-CG1 3.43Å; G154-I158 PolarHBondContact O-N 3.4Å; V155-I158 PolarHBondContact O-N 3.02Å; I158-G160 VanDerWaalsContact C-N 3.33Å; I158-G160 PolarHBondContact O-N 3.46Å; I158-A161 PolarHBondContact O-N 3.39Å; I158-I162 HydrophobicContact CG2-CD1 3.96Å; I158-I162 WeakPolarHBondContact O-CG1 3.43Å; I158-I162 PolarHBondContact O-N 3.32Å; I158-L196 HydrophobicContact CG2-CD1 4.18Å; I158-L199 HydrophobicContact CD1-CB 4.09Å; I158-L199 HydrophobicContact CG1-CB 4.12Å; I158-L199 HydrophobicContact CG1-CD1 3.86Å |
| 159 | L | 98.4 | Very high | 98.3 | Very high | 31 Ų | 31 | 24.3 Ų | 24.3 | 16% | 0.162 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 176.8 | -68.6 | 178.2 | 0 | 0 | 0 | 111.2 | M97 M100 L104 V155 S156 N163 | M97-L159 HydrophobicContact CE-CD2 4.38Å; M97-L159 HydrophobicContact CG-CB 3.89Å; M97-L159 HydrophobicContact CG-CD2 3.95Å; M97-L159 HydrophobicContact CG-CG 4.35Å; M97-L159 HydrophobicContact SD-CB 4.3Å; M97-L159 HydrophobicContact SD-CD2 4.01Å; M100-L159 HydrophobicContact CG-CD1 4.3Å; M100-L159 HydrophobicContact SD-CD1 4.31Å; L104-L159 HydrophobicContact CD1-CD1 4.02Å; V155-L159 HydrophobicContact CG1-CD1 4.05Å; V155-L159 HydrophobicContact CG1-CG 4.31Å; V155-L159 VanDerWaalsContact O-CG 3.31Å; V155-L159 WeakPolarHBondContact O-CG 3.26Å; V155-L159 PolarHBondContact O-N 3.44Å; S156-L159 PolarHBondContact O-N 3.46Å; L159-N163 WeakPolarHBondContact O-CB 3.37Å; L159-N163 PolarHBondContact O-N 2.87Å |
| 160 | G | 98.2 | Very high | 98.2 | Very high | 8 Ų | 8 | 29.9 Ų | 29.9 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -45.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S156 S157 I158 I162 N163 F164 | S156-G160 PolarHBondContact O-N 3.24Å; S157-G160 PolarHBondContact O-N 2.85Å; I158-G160 VanDerWaalsContact C-N 3.33Å; I158-G160 PolarHBondContact O-N 3.46Å; G160-I162 PolarHBondContact O-N 3.03Å; G160-N163 WeakPolarHBondContact O-CB 3.48Å; G160-N163 PolarHBondContact O-N 3.4Å; G160-F164 WeakPolarHBondContact O-CD2 3.49Å; G160-F164 PolarHBondContact O-N 2.81Å |
| 161 | A | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60.5 | -46.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S157 I158 N163 F164 I165 A192 L195 | S157-A161 VanDerWaalsContact O-CB 3.29Å; S157-A161 WeakPolarHBondContact O-CB 3.31Å; S157-A161 PolarHBondContact O-N 3.35Å; I158-A161 PolarHBondContact O-N 3.39Å; A161-N163 VanDerWaalsContact C-N 3.26Å; A161-N163 PolarHBondContact O-N 3.26Å; A161-F164 PolarHBondContact O-N 2.83Å; A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.29Å; A161-I165 PolarHBondContact O-N 3.25Å; A161-A192 HydrophobicContact CB-CB 4.03Å; A161-A192 WeakPolarHBondContact CB-O 3.39Å; A161-L195 HydrophobicContact CB-CB 4.04Å |
| 162 | I | 98.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 31.6 Ų | 31.6 | 29% | 0.292 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -58.1 | -42.8 | 176 | -67.7 | 166.5 | 0 | 0 | 0 | 110.4 | F94 M97 I158 G160 T166 L196 | F94-I162 HydrophobicContact CE2-CG2 4.16Å; M97-I162 HydrophobicContact SD-CG2 4.38Å; I158-I162 HydrophobicContact CG2-CD1 3.96Å; I158-I162 WeakPolarHBondContact O-CG1 3.43Å; I158-I162 PolarHBondContact O-N 3.32Å; G160-I162 PolarHBondContact O-N 3.03Å; I162-T166 WeakPolarHBondContact O-CB 3.2Å; I162-T166 PolarHBondContact O-N 3.15Å; I162-T166 PolarHBondContact O-OG1 3.49Å; I162-L196 HydrophobicContact CD1-CD1 4.46Å; I162-L196 HydrophobicContact CG1-CD1 4.09Å |
| 163 | N | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -44.6 | 179.6 | -168.5 | 20.8 | 0 | 0 | 0 | 112.3 | M92 A93 F94 N98 L159 G160 A161 T166 T167 | M92-N163 HydrophobicContact CE-CB 4.26Å; M92-N163 WeakPolarHBondContact CE-ND2 3.46Å; A93-N163 PolarHBondContact N-OD1 3.41Å; F94-N163 HydrophobicContact CD2-CB 4.35Å; F94-N163 PolarHBondContact N-OD1 3.07Å; F94-N163 PolarHBondContact O-ND2 3.38Å; N98-N163 VanDerWaalsContact CB-ND2 3.33Å; N98-N163 WeakPolarHBondContact CB-ND2 3.29Å; N98-N163 PolarHBondContact OD1-ND2 2.9Å; L159-N163 WeakPolarHBondContact O-CB 3.37Å; L159-N163 PolarHBondContact O-N 2.87Å; G160-N163 WeakPolarHBondContact O-CB 3.48Å; G160-N163 PolarHBondContact O-N 3.4Å; A161-N163 VanDerWaalsContact C-N 3.26Å; A161-N163 PolarHBondContact O-N 3.26Å; N163-T166 PolarHBondContact O-N 2.85Å; N163-T167 VanDerWaalsContact O-CB 3.28Å; N163-T167 WeakPolarHBondContact O-CB 3.44Å; N163-T167 PolarHBondContact O-N 3.39Å; N163-T167 PolarHBondContact O-OG1 3.12Å; N163-T167 PolarHBondContact OD1-OG1 3.29Å |
| 164 | F | 98.6 | Very high | 96.7 | Very high | 3 Ų | 3 | 35.6 Ų | 35.6 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.8 | -79.8 | -61.3 | 0 | 0 | 0 | 112.4 | I75 G79 V83 M92 G160 A161 T166 T167 I168 V188 A192 | I75-F164 HydrophobicContact CG2-CD2 4.09Å; I75-F164 HydrophobicContact CG2-CE2 3.62Å; I75-F164 HydrophobicContact CG2-CZ 4.41Å; I75-F164 VanDerWaalsContact O-CZ 3.31Å; I75-F164 WeakPolarHBondContact O-CZ 3.42Å; G79-F164 VanDerWaalsContact C-CE1 3.45Å; V83-F164 HydrophobicContact CB-CD1 4.39Å; V83-F164 HydrophobicContact CB-CE1 4.28Å; V83-F164 HydrophobicContact CG1-CD1 4.4Å; V83-F164 HydrophobicContact CG2-CD1 4.22Å; V83-F164 HydrophobicContact CG2-CE1 4.14Å; M92-F164 HydrophobicContact CE-CD1 3.51Å; M92-F164 HydrophobicContact CE-CE1 3.55Å; M92-F164 HydrophobicContact CE-CG 4.04Å; M92-F164 HydrophobicContact CE-CZ 4.14Å; M92-F164 HydrophobicContact SD-CD1 4.36Å; M92-F164 HydrophobicContact SD-CE1 4.15Å; G160-F164 WeakPolarHBondContact O-CD2 3.49Å; G160-F164 PolarHBondContact O-N 2.81Å; A161-F164 PolarHBondContact O-N 2.83Å; F164-T166 VanDerWaalsContact C-N 3.34Å; F164-T166 PolarHBondContact O-N 2.88Å; F164-T167 PolarHBondContact O-N 3.38Å; F164-I168 WeakPolarHBondContact O-CB 3.39Å; F164-I168 VanDerWaalsContact O-CG1 3.24Å; F164-I168 WeakPolarHBondContact O-CG1 3.31Å; F164-I168 PolarHBondContact O-N 2.97Å; F164-V188 HydrophobicContact CB-CG1 4.29Å; F164-V188 HydrophobicContact CD1-CG1 3.75Å; F164-V188 HydrophobicContact CD2-CG1 4.33Å; F164-V188 HydrophobicContact CE1-CG1 4.19Å; F164-V188 HydrophobicContact CG-CG1 3.87Å; F164-A192 HydrophobicContact CB-CB 4.04Å |
| 165 | I | 98.6 | Very high | 96.1 | Very high | 30 Ų | 30 | 37.9 Ų | 37.9 | 15% | 0.154 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.4 | -50.5 | 178.3 | -68.9 | 164.8 | 0 | 0 | 0 | 109.8 | A161 T167 I168 I169 L189 A192 V193 L196 | A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.29Å; A161-I165 PolarHBondContact O-N 3.25Å; I165-T167 PolarHBondContact O-N 2.99Å; I165-I168 PolarHBondContact O-N 2.91Å; I165-I169 HydrophobicContact CG2-CD1 3.68Å; I165-I169 WeakPolarHBondContact O-CB 3.42Å; I165-I169 VanDerWaalsContact O-CG1 3.31Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 3.2Å; I165-L189 HydrophobicContact CG1-CD1 4.25Å; I165-A192 HydrophobicContact CD1-CB 4.17Å; I165-A192 HydrophobicContact CG1-CB 3.75Å; I165-V193 HydrophobicContact CD1-CG2 4.03Å; I165-V193 HydrophobicContact CG1-CG2 4.25Å; I165-L196 HydrophobicContact CD1-CD2 4.05Å |
| 166 | T | 98.4 | Very high | 95.7 | Very high | 32 Ų | 32 | 35.1 Ų | 35.1 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.9 | -44.2 | -178.9 | -53.7 | 0 | 0 | 0 | 0 | 111.7 | A93 F94 I162 N163 F164 N170 | A93-T166 HydrophobicContact CB-CG2 3.66Å; F94-T166 HydrophobicContact CE2-CG2 3.74Å; F94-T166 WeakPolarHBondContact CE2-OG1 3.38Å; F94-T166 HydrophobicContact CZ-CG2 3.77Å; I162-T166 WeakPolarHBondContact O-CB 3.2Å; I162-T166 PolarHBondContact O-N 3.15Å; I162-T166 PolarHBondContact O-OG1 3.49Å; N163-T166 PolarHBondContact O-N 2.85Å; F164-T166 VanDerWaalsContact C-N 3.34Å; F164-T166 PolarHBondContact O-N 2.88Å; T166-N170 VanDerWaalsContact O-CB 3.28Å; T166-N170 WeakPolarHBondContact O-CB 3.4Å; T166-N170 PolarHBondContact O-N 2.99Å; T166-N170 PolarHBondContact O-ND2 3.08Å |
| 167 | T | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -50.8 | 179.8 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | I87 M92 A93 N163 F164 I165 I169 M171 | I87-T167 HydrophobicContact CD1-CG2 3.98Å; M92-T167 HydrophobicContact SD-CG2 3.95Å; A93-T167 WeakPolarHBondContact CB-OG1 3.37Å; A93-T167 PolarHBondContact N-OG1 2.93Å; N163-T167 VanDerWaalsContact O-CB 3.28Å; N163-T167 WeakPolarHBondContact O-CB 3.44Å; N163-T167 PolarHBondContact O-N 3.39Å; N163-T167 PolarHBondContact O-OG1 3.12Å; N163-T167 PolarHBondContact OD1-OG1 3.29Å; F164-T167 PolarHBondContact O-N 3.38Å; I165-T167 PolarHBondContact O-N 2.99Å; T167-I169 PolarHBondContact O-N 3.41Å; T167-M171 HydrophobicContact CG2-CB 4.41Å; T167-M171 HydrophobicContact CG2-SD 4.01Å; T167-M171 WeakPolarHBondContact O-CB 3.29Å; T167-M171 PolarHBondContact O-N 2.96Å |
| 168 | I | 98.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.4 | -37.6 | -176 | -66.2 | 170.1 | 0 | 0 | 0 | 111.5 | V83 F164 I165 K172 V185 V188 L189 | V83-I168 HydrophobicContact CG1-CD1 3.97Å; V83-I168 HydrophobicContact CG1-CG1 3.52Å; F164-I168 WeakPolarHBondContact O-CB 3.39Å; F164-I168 VanDerWaalsContact O-CG1 3.24Å; F164-I168 WeakPolarHBondContact O-CG1 3.31Å; F164-I168 PolarHBondContact O-N 2.97Å; I165-I168 PolarHBondContact O-N 2.91Å; I168-K172 WeakPolarHBondContact O-CD 3.36Å; I168-K172 WeakPolarHBondContact O-CE 3.31Å; I168-K172 VanDerWaalsContact O-CG 3.29Å; I168-K172 WeakPolarHBondContact O-CG 3.27Å; I168-V185 HydrophobicContact CB-CG1 4.4Å; I168-V185 HydrophobicContact CD1-CG1 3.94Å; I168-V185 HydrophobicContact CG1-CG1 3.89Å; I168-V185 HydrophobicContact CG2-CG1 3.66Å; I168-V188 HydrophobicContact CD1-CB 4.47Å; I168-V188 HydrophobicContact CD1-CG1 4.29Å; I168-L189 HydrophobicContact CB-CD1 4.36Å; I168-L189 HydrophobicContact CD1-CB 3.88Å; I168-L189 HydrophobicContact CD1-CD1 4.47Å; I168-L189 HydrophobicContact CG2-CB 4.27Å; I168-L189 HydrophobicContact CG2-CD1 4.25Å; I168-L189 HydrophobicContact CG2-CD2 4.06Å; I168-L189 HydrophobicContact CG2-CG 4.43Å |
| 169 | I | 96.4 | Very high | 94.7 | Very high | 88 Ų | 88 | 42.6 Ų | 42.6 | 45% | 0.451 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -77.6 | -43 | -177.9 | -64.8 | 174.5 | 0 | 0 | 0 | 110.9 | I165 T167 L189 | I165-I169 HydrophobicContact CG2-CD1 3.68Å; I165-I169 WeakPolarHBondContact O-CB 3.42Å; I165-I169 VanDerWaalsContact O-CG1 3.31Å; I165-I169 WeakPolarHBondContact O-CG1 3.47Å; I165-I169 PolarHBondContact O-N 3.2Å; T167-I169 PolarHBondContact O-N 3.41Å; I169-L189 HydrophobicContact CG1-CD1 4.44Å |
| 170 | N | 96.2 | Very high | 94.4 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 62% | 0.62 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -104.2 | -21.3 | -165.3 | -60.1 | -43.9 | 0 | 0 | 0 | 115.5 | T166 | T166-N170 VanDerWaalsContact O-CB 3.28Å; T166-N170 WeakPolarHBondContact O-CB 3.4Å; T166-N170 PolarHBondContact O-N 2.99Å; T166-N170 PolarHBondContact O-ND2 3.08Å |
| 171 | M | 94.9 | Very high | 94.2 | Very high | 55 Ų | 55 | 44.9 Ų | 44.9 | 27% | 0.271 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -103.8 | 7.5 | -170.8 | -60.1 | -174.9 | 69.4 | 0 | 0 | 114.7 | A89 P90 D91 A93 T167 | A89-M171 HydrophobicContact CB-CB 3.97Å; A89-M171 HydrophobicContact CB-CE 4.44Å; P90-M171 HydrophobicContact CG-CE 4.34Å; D91-M171 WeakPolarHBondContact O-CE 3.37Å; A93-M171 WeakPolarHBondContact CA-SD 3.43Å; A93-M171 HydrophobicContact CB-CG 4.48Å; A93-M171 HydrophobicContact CB-SD 3.59Å; A93-M171 VanDerWaalsContact CB-SD 3.59Å; A93-M171 PolarHBondContact N-SD 3.24Å; T167-M171 HydrophobicContact CG2-CB 4.41Å; T167-M171 HydrophobicContact CG2-SD 4.01Å; T167-M171 WeakPolarHBondContact O-CB 3.29Å; T167-M171 PolarHBondContact O-N 2.96Å |
| 172 | K | 92.1 | Very high | 94 | Very high | 36 Ų | 36 | 46.5 Ų | 46.5 | 16% | 0.157 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -70.1 | 150.7 | 173.2 | -62.3 | 172.9 | -62.2 | -177.1 | 0 | 110.7 | I87 I168 M176 T181 | I87-K172 HydrophobicContact CB-CG 4.06Å; I87-K172 HydrophobicContact CD1-CG 4.32Å; I87-K172 HydrophobicContact CG2-CG 4.33Å; I168-K172 WeakPolarHBondContact O-CD 3.36Å; I168-K172 WeakPolarHBondContact O-CE 3.31Å; I168-K172 VanDerWaalsContact O-CG 3.29Å; I168-K172 WeakPolarHBondContact O-CG 3.27Å; K172-M176 HydrophobicContact CB-SD 4.5Å; K172-M176 HydrophobicContact CD-SD 4.36Å; K172-M176 HydrophobicContact CG-SD 4.39Å; K172-T181 HydrophobicContact CD-CG2 3.54Å |
| 173 | P | 89.1 | Confident | 93.9 | Very high | 7 Ų | 7 | 44 Ų | 44 | 5% | 0.045 | 24% | 0.241 | C | C | . | . | trans | -52.7 | 140.1 | 167.8 | -27 | 32 | 0 | 0 | 0 | 111 | I87 A175 M176 V509 | I87-P173 WeakPolarHBondContact O-CD 3.28Å; P173-A175 PolarHBondContact O-N 3.46Å; P173-M176 PolarHBondContact O-N 3.43Å; P173-V509 HydrophobicContact CG-CB 4.21Å | ||
| 174 | P | 85.4 | Confident | 93.9 | Very high | 133 Ų | 133 | 44 Ų | 44 | 86% | 0.864 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -25.8 | -178.7 | -28.3 | 35.1 | 0 | 0 | 0 | 114.8 | ||
| 175 | A | 86.3 | Confident | 93.8 | Very high | 60 Ų | 60 | 43.9 Ų | 43.9 | 50% | 0.496 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -16 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | P173 | P173-A175 PolarHBondContact O-N 3.46Š|
| 176 | M | 89.5 | Confident | 93.8 | Very high | 11 Ų | 11 | 43.1 Ų | 43.1 | 5% | 0.054 | 24% | 0.236 | C | C | . | . | trans | -94.2 | 110.4 | -176.9 | -176.7 | -174.3 | -78.6 | 0 | 0 | 110.8 | K172 P173 Q180 T181 L492 M511 | K172-M176 HydrophobicContact CB-SD 4.5Å; K172-M176 HydrophobicContact CD-SD 4.36Å; K172-M176 HydrophobicContact CG-SD 4.39Å; P173-M176 PolarHBondContact O-N 3.43Å; M176-Q180 HydrophobicContact CG-CB 4.24Å; M176-T181 HydrophobicContact CG-CG2 4.36Å; M176-T181 HydrophobicContact SD-CG2 3.85Å; M176-L492 HydrophobicContact CE-CD1 4.19Å; M176-M511 HydrophobicContact CE-CE 3.64Å; M176-M511 HydrophobicContact CE-CG 4.45Å; M176-M511 HydrophobicContact CE-SD 4.18Å | ||
| 177 | T | 91.8 | Very high | 93.8 | Very high | 77 Ų | 77 | 41.6 Ų | 41.6 | 47% | 0.472 | 23% | 0.227 | S | C | . | . | trans | -72.2 | 160.9 | 170.2 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | Y179 Q180 | T177-Y179 VanDerWaalsContact C-N 3.26Å; T177-Y179 PolarHBondContact O-N 3.39Å; T177-Q180 PolarHBondContact O-N 3.31Å; T177-Q180 VanDerWaalsContact OG1-CD 3.32Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.46Å; T177-Q180 PolarHBondContact OG1-OE1 3.3Å | ||
| 178 | Q | 92.4 | Very high | 93.8 | Very high | 42 Ų | 42 | 41.7 Ų | 41.7 | 20% | 0.196 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -60 | -36.6 | 177.9 | -175.4 | 57.9 | 35.1 | 0 | 0 | 112.5 | Q180 T181 W186 | Q178-Q180 PolarHBondContact O-N 3.22Å; Q178-T181 PolarHBondContact NE2-OG1 3.25Å; Q178-T181 PolarHBondContact O-N 2.88Å; Q178-T181 PolarHBondContact O-OG1 3.27Å; Q178-W186 HydrophobicContact CB-CZ2 4.43Å; Q178-W186 HydrophobicContact CG-CH2 3.45Å; Q178-W186 VanDerWaalsContact CG-CH2 3.45Å; Q178-W186 HydrophobicContact CG-CZ2 3.5Å; Q178-W186 HydrophobicContact CG-CZ3 4.21Å; Q178-W186 WeakPolarHBondContact O-CZ2 3.47Å; Q178-W186 PolarHBondContact O-NE1 2.91Å |
| 179 | Y | 91.4 | Very high | 93.8 | Very high | 107 Ų | 107 | 42.5 Ų | 42.5 | 42% | 0.42 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -71.1 | -8.7 | 176.6 | -68.8 | -65.2 | 0 | 0 | 0 | 113.9 | T177 W186 Y270 M271 W275 | T177-Y179 VanDerWaalsContact C-N 3.26Å; T177-Y179 PolarHBondContact O-N 3.39Å; Y179-W186 AromaticContact CD1-CZ2 3.89Å; Y179-W186 HydrophobicContact CD1-CZ2 3.89Å; Y179-W186 HydrophobicContact CE1-CH2 4.42Å; Y179-W186 HydrophobicContact CE1-CZ2 4.19Å; Y179-Y270 WeakPolarHBondContact O-CE1 3.41Å; Y179-Y270 PolarHBondContact O-OH 3.48Å; Y179-M271 HydrophobicContact CD1-CE 3.48Å; Y179-M271 VanDerWaalsContact CD1-CE 3.48Å; Y179-M271 HydrophobicContact CD1-SD 3.75Å; Y179-M271 HydrophobicContact CE1-CE 3.65Å; Y179-M271 HydrophobicContact CE1-SD 4.45Å; Y179-M271 HydrophobicContact CG-CE 4.08Å; Y179-M271 HydrophobicContact CG-SD 4.26Å; Y179-W275 HydrophobicContact CE1-CZ2 4.49Å |
| 180 | Q | 90.4 | Very high | 93.9 | Very high | 87 Ų | 87 | 39.2 Ų | 39.2 | 41% | 0.407 | 21% | 0.214 | S | C | . | . | G | 310 helix | trans | -97.7 | 0.9 | 174 | -69.6 | 163.9 | -51 | 0 | 0 | 112.8 | M176 T177 Q178 | M176-Q180 HydrophobicContact CG-CB 4.24Å; T177-Q180 PolarHBondContact O-N 3.31Å; T177-Q180 VanDerWaalsContact OG1-CD 3.32Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.46Å; T177-Q180 PolarHBondContact OG1-OE1 3.3Å; Q178-Q180 PolarHBondContact O-N 3.22Å |
| 181 | T | 93.9 | Very high | 94 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -74.8 | 144.4 | 178.1 | 60.1 | 0 | 0 | 0 | 0 | 111.7 | K172 M176 Q178 W186 Y270 | K172-T181 HydrophobicContact CD-CG2 3.54Å; M176-T181 HydrophobicContact CG-CG2 4.36Å; M176-T181 HydrophobicContact SD-CG2 3.85Å; Q178-T181 PolarHBondContact NE2-OG1 3.25Å; Q178-T181 PolarHBondContact O-N 2.88Å; Q178-T181 PolarHBondContact O-OG1 3.27Å; T181-W186 VanDerWaalsContact OG1-CD1 3.32Å; T181-W186 PolarHBondContact OG1-NE1 3.25Å; T181-W186 VanDerWaalsContact OG1-NE1 3.16Å; T181-Y270 PolarHBondContact O-OH 2.9Å |
| 182 | P | 95 | Very high | 94.2 | Very high | 34 Ų | 34 | 31.1 Ų | 31.1 | 22% | 0.221 | 17% | 0.173 | C | C | . | . | trans | -61.6 | 155 | -178.7 | -24.8 | 35.2 | 0 | 0 | 0 | 113.9 | M86 F184 V185 W186 H256 | M86-P182 HydrophobicContact CB-CG 4.19Å; P182-F184 PolarHBondContact O-N 3.47Å; P182-V185 HydrophobicContact CB-CG2 4.45Å; P182-V185 HydrophobicContact CG-CG2 4.49Å; P182-V185 WeakPolarHBondContact O-CA 3.23Å; P182-V185 WeakPolarHBondContact O-CB 3.28Å; P182-V185 PolarHBondContact O-N 3.48Å; P182-W186 PolarHBondContact O-N 3.3Å; P182-W186 VanDerWaalsContact O-N 3.1Å; P182-H256 WeakPolarHBondContact CB-CE1 3.27Å; P182-H256 VanDerWaalsContact CB-NE2 3.29Å; P182-H256 WeakPolarHBondContact CB-NE2 3.4Å | ||
| 183 | L | 96.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 3% | 0.026 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -29 | -176.3 | -69.6 | 178.4 | 0 | 0 | 0 | 113.3 | W186 S187 P267 Y270 M273 V274 M277 | L183-W186 PolarHBondContact O-N 2.84Å; L183-S187 WeakPolarHBondContact O-CB 3.17Å; L183-S187 PolarHBondContact O-N 3.16Å; L183-P267 HydrophobicContact CD1-CB 4.4Å; L183-P267 HydrophobicContact CD1-CG 3.48Å; L183-P267 VanDerWaalsContact CD1-CG 3.48Å; L183-P267 HydrophobicContact CG-CG 4.41Å; L183-Y270 HydrophobicContact CD1-CD2 4.31Å; L183-Y270 HydrophobicContact CD2-CD2 3.65Å; L183-Y270 HydrophobicContact CD2-CE2 3.49Å; L183-Y270 VanDerWaalsContact CD2-CE2 3.49Å; L183-Y270 HydrophobicContact CG-CD2 3.78Å; L183-Y270 HydrophobicContact CG-CE2 3.76Å; L183-M273 HydrophobicContact CD1-CB 4.05Å; L183-M273 HydrophobicContact CD1-CE 3.71Å; L183-M273 HydrophobicContact CD1-CG 4.37Å; L183-M273 HydrophobicContact CD1-SD 3.34Å; L183-M273 WeakPolarHBondContact CD1-SD 3.38Å; L183-M273 HydrophobicContact CD2-CB 4.01Å; L183-V274 HydrophobicContact CD2-CG2 3.64Å; L183-M277 HydrophobicContact CB-CE 4.4Å; L183-M277 HydrophobicContact CD2-CE 3.7Å |
| 184 | F | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -44.5 | 171.6 | -178.2 | -102.5 | 0 | 0 | 0 | 111.6 | F78 L82 V83 M86 P182 W186 S187 V188 P249 M253 H256 | F78-F184 HydrophobicContact CB-CE2 4.35Å; F78-F184 HydrophobicContact CB-CZ 3.77Å; L82-F184 HydrophobicContact CB-CD1 4.04Å; L82-F184 HydrophobicContact CB-CE1 3.72Å; L82-F184 HydrophobicContact CD1-CD1 4.31Å; L82-F184 HydrophobicContact CD1-CE1 4.03Å; L82-F184 HydrophobicContact CD1-CZ 4.29Å; L82-F184 HydrophobicContact CG-CE1 4.45Å; V83-F184 HydrophobicContact CG2-CE1 4.2Å; M86-F184 HydrophobicContact CE-CD1 4.46Å; M86-F184 HydrophobicContact SD-CB 3.96Å; M86-F184 HydrophobicContact SD-CD1 3.76Å; M86-F184 HydrophobicContact SD-CG 4.25Å; P182-F184 PolarHBondContact O-N 3.47Å; F184-W186 PolarHBondContact O-N 2.83Å; F184-S187 PolarHBondContact O-N 3.08Å; F184-S187 VanDerWaalsContact O-N 3.13Å; F184-S187 PolarHBondContact O-OG 3.05Å; F184-V188 HydrophobicContact CD1-CG2 4.29Å; F184-V188 HydrophobicContact CE1-CG2 3.79Å; F184-V188 HydrophobicContact CE2-CG2 4.13Å; F184-V188 HydrophobicContact CZ-CG2 3.7Å; F184-V188 WeakPolarHBondContact O-CG2 3.48Å; F184-V188 PolarHBondContact O-N 3.4Å; F184-P249 HydrophobicContact CE2-CB 4.12Å; F184-M253 HydrophobicContact CD2-CG 3.75Å; F184-M253 HydrophobicContact CE2-CG 3.65Å; F184-M253 HydrophobicContact CE2-SD 4.49Å; F184-H256 WeakPolarHBondContact CB-NE2 3.44Å; F184-H256 PolarHBondContact N-NE2 2.92Å |
| 185 | V | 98.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.1 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | M86 I87 I168 P182 S187 V188 L189 | M86-V185 HydrophobicContact CB-CG2 3.74Å; M86-V185 HydrophobicContact SD-CG2 4.37Å; I87-V185 HydrophobicContact CG2-CB 4.41Å; I87-V185 HydrophobicContact CG2-CG1 3.74Å; I87-V185 HydrophobicContact CG2-CG2 3.85Å; I168-V185 HydrophobicContact CB-CG1 4.4Å; I168-V185 HydrophobicContact CD1-CG1 3.94Å; I168-V185 HydrophobicContact CG1-CG1 3.89Å; I168-V185 HydrophobicContact CG2-CG1 3.66Å; P182-V185 HydrophobicContact CB-CG2 4.45Å; P182-V185 HydrophobicContact CG-CG2 4.49Å; P182-V185 WeakPolarHBondContact O-CA 3.23Å; P182-V185 WeakPolarHBondContact O-CB 3.28Å; P182-V185 PolarHBondContact O-N 3.48Å; V185-S187 VanDerWaalsContact C-N 3.32Å; V185-S187 PolarHBondContact O-N 3.41Å; V185-V188 PolarHBondContact O-N 3.19Å; V185-L189 WeakPolarHBondContact O-CB 3.34Å; V185-L189 PolarHBondContact O-N 3Å |
| 186 | W | 98.1 | Very high | 96 | Very high | 15 Ų | 15 | 26.2 Ų | 26.2 | 6% | 0.057 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.7 | -44.5 | 172.4 | -87.7 | 110.3 | 0 | 0 | 0 | 112.7 | Q178 Y179 T181 P182 L183 F184 V188 L189 I190 Y270 V274 M277 M278 | Q178-W186 HydrophobicContact CB-CZ2 4.43Å; Q178-W186 HydrophobicContact CG-CH2 3.45Å; Q178-W186 VanDerWaalsContact CG-CH2 3.45Å; Q178-W186 HydrophobicContact CG-CZ2 3.5Å; Q178-W186 HydrophobicContact CG-CZ3 4.21Å; Q178-W186 WeakPolarHBondContact O-CZ2 3.47Å; Q178-W186 PolarHBondContact O-NE1 2.91Å; Y179-W186 AromaticContact CD1-CZ2 3.89Å; Y179-W186 HydrophobicContact CD1-CZ2 3.89Å; Y179-W186 HydrophobicContact CE1-CH2 4.42Å; Y179-W186 HydrophobicContact CE1-CZ2 4.19Å; T181-W186 VanDerWaalsContact OG1-CD1 3.32Å; T181-W186 PolarHBondContact OG1-NE1 3.25Å; T181-W186 VanDerWaalsContact OG1-NE1 3.16Å; P182-W186 PolarHBondContact O-N 3.3Å; P182-W186 VanDerWaalsContact O-N 3.1Å; L183-W186 PolarHBondContact O-N 2.84Å; F184-W186 PolarHBondContact O-N 2.83Å; W186-V188 VanDerWaalsContact C-N 3.33Å; W186-V188 PolarHBondContact O-N 3.31Å; W186-L189 HydrophobicContact CE3-CD2 4.21Å; W186-L189 HydrophobicContact CZ3-CD2 4.2Å; W186-L189 PolarHBondContact O-N 3.23Å; W186-I190 VanDerWaalsContact O-CG1 3.31Å; W186-I190 WeakPolarHBondContact O-CG1 3.12Å; W186-I190 PolarHBondContact O-N 2.94Å; W186-Y270 PolarHBondContact NE1-OH 3.32Å; W186-Y270 VanDerWaalsContact NE1-OH 3.07Å; W186-V274 HydrophobicContact CD2-CG1 3.88Å; W186-V274 HydrophobicContact CD2-CG2 4.43Å; W186-V274 HydrophobicContact CE3-CG1 4.2Å; W186-V274 HydrophobicContact CG-CG1 4.39Å; W186-V274 HydrophobicContact CG-CG2 4.16Å; W186-V274 HydrophobicContact CH2-CG1 4.1Å; W186-V274 HydrophobicContact CZ2-CG1 3.78Å; W186-V274 HydrophobicContact CZ3-CG1 4.32Å; W186-M277 HydrophobicContact CB-CE 3.81Å; W186-M278 HydrophobicContact CZ3-SD 4.11Å |
| 187 | S | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -63.2 | -40 | -179.6 | 77.7 | 0 | 0 | 0 | 0 | 111.9 | L183 F184 V185 T191 R248 P249 | L183-S187 WeakPolarHBondContact O-CB 3.17Å; L183-S187 PolarHBondContact O-N 3.16Å; F184-S187 PolarHBondContact O-N 3.08Å; F184-S187 VanDerWaalsContact O-N 3.13Å; F184-S187 PolarHBondContact O-OG 3.05Å; V185-S187 VanDerWaalsContact C-N 3.32Å; V185-S187 PolarHBondContact O-N 3.41Å; S187-T191 VanDerWaalsContact O-CB 3.27Å; S187-T191 WeakPolarHBondContact O-CB 3.16Å; S187-T191 PolarHBondContact O-N 3.43Å; S187-T191 VanDerWaalsContact O-N 3.07Å; S187-T191 PolarHBondContact O-OG1 3.4Å; S187-R248 VanDerWaalsContact CB-O 3.28Å; S187-R248 WeakPolarHBondContact CB-O 3.41Å; S187-P249 WeakPolarHBondContact OG-CA 3.45Å |
| 188 | V | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.006 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.4 | -42 | 175.7 | 175.8 | 0 | 0 | 0 | 0 | 111 | V83 F164 I168 F184 V185 W186 I190 T191 A192 | V83-V188 HydrophobicContact CG2-CB 4.11Å; V83-V188 HydrophobicContact CG2-CG1 4Å; V83-V188 HydrophobicContact CG2-CG2 4.12Å; F164-V188 HydrophobicContact CB-CG1 4.29Å; F164-V188 HydrophobicContact CD1-CG1 3.75Å; F164-V188 HydrophobicContact CD2-CG1 4.33Å; F164-V188 HydrophobicContact CE1-CG1 4.19Å; F164-V188 HydrophobicContact CG-CG1 3.87Å; I168-V188 HydrophobicContact CD1-CB 4.47Å; I168-V188 HydrophobicContact CD1-CG1 4.29Å; F184-V188 HydrophobicContact CD1-CG2 4.29Å; F184-V188 HydrophobicContact CE1-CG2 3.79Å; F184-V188 HydrophobicContact CE2-CG2 4.13Å; F184-V188 HydrophobicContact CZ-CG2 3.7Å; F184-V188 WeakPolarHBondContact O-CG2 3.48Å; F184-V188 PolarHBondContact O-N 3.4Å; V185-V188 PolarHBondContact O-N 3.19Å; W186-V188 VanDerWaalsContact C-N 3.33Å; W186-V188 PolarHBondContact O-N 3.31Å; V188-I190 PolarHBondContact O-N 2.88Å; V188-T191 WeakPolarHBondContact O-CB 3.3Å; V188-T191 PolarHBondContact O-N 3.12Å; V188-A192 WeakPolarHBondContact O-CB 3.22Å; V188-A192 PolarHBondContact O-N 3.44Å |
| 189 | L | 98.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 25 Ų | 25 | 9% | 0.089 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 177.2 | 178.1 | 61.1 | 0 | 0 | 0 | 111.8 | I165 I168 I169 V185 W186 T191 A192 V193 | I165-L189 HydrophobicContact CG1-CD1 4.25Å; I168-L189 HydrophobicContact CB-CD1 4.36Å; I168-L189 HydrophobicContact CD1-CB 3.88Å; I168-L189 HydrophobicContact CD1-CD1 4.47Å; I168-L189 HydrophobicContact CG2-CB 4.27Å; I168-L189 HydrophobicContact CG2-CD1 4.25Å; I168-L189 HydrophobicContact CG2-CD2 4.06Å; I168-L189 HydrophobicContact CG2-CG 4.43Å; I169-L189 HydrophobicContact CG1-CD1 4.44Å; V185-L189 WeakPolarHBondContact O-CB 3.34Å; V185-L189 PolarHBondContact O-N 3Å; W186-L189 HydrophobicContact CE3-CD2 4.21Å; W186-L189 HydrophobicContact CZ3-CD2 4.2Å; W186-L189 PolarHBondContact O-N 3.23Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.66Å; L189-A192 PolarHBondContact O-N 3.49Å; L189-V193 WeakPolarHBondContact O-CG2 3.29Å; L189-V193 PolarHBondContact O-N 3.01Å |
| 190 | I | 98.4 | Very high | 97.1 | Very high | 19 Ų | 19 | 22.9 Ų | 22.9 | 10% | 0.097 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -42.5 | 179.6 | -62.8 | 162.1 | 0 | 0 | 0 | 109.9 | W186 V188 A192 V193 L194 R248 M277 M278 | W186-I190 VanDerWaalsContact O-CG1 3.31Å; W186-I190 WeakPolarHBondContact O-CG1 3.12Å; W186-I190 PolarHBondContact O-N 2.94Å; V188-I190 PolarHBondContact O-N 2.88Å; I190-A192 VanDerWaalsContact C-N 3.35Å; I190-A192 PolarHBondContact O-N 3.42Å; I190-V193 PolarHBondContact O-N 3.11Å; I190-L194 HydrophobicContact CG2-CD1 4.48Å; I190-L194 WeakPolarHBondContact O-CG 3.33Å; I190-L194 PolarHBondContact O-N 2.98Å; I190-R248 VanDerWaalsContact CG2-NH1 3.3Å; I190-M277 HydrophobicContact CD1-CB 3.59Å; I190-M278 HydrophobicContact CD1-CG 3.78Å; I190-M278 HydrophobicContact CG1-CG 4.33Å |
| 191 | T | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60 | -43.4 | 177.3 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | I75 S187 V188 L189 V193 L194 L195 I245 R248 P249 | I75-T191 HydrophobicContact CD1-CG2 3.31Å; I75-T191 HydrophobicContact CG1-CG2 4.05Å; S187-T191 VanDerWaalsContact O-CB 3.27Å; S187-T191 WeakPolarHBondContact O-CB 3.16Å; S187-T191 PolarHBondContact O-N 3.43Å; S187-T191 VanDerWaalsContact O-N 3.07Å; S187-T191 PolarHBondContact O-OG1 3.4Å; V188-T191 WeakPolarHBondContact O-CB 3.3Å; V188-T191 PolarHBondContact O-N 3.12Å; L189-T191 VanDerWaalsContact C-N 3.3Å; L189-T191 PolarHBondContact O-N 2.66Å; T191-V193 PolarHBondContact O-N 3.25Å; T191-L194 PolarHBondContact O-N 2.89Å; T191-L195 HydrophobicContact CG2-CD1 4.37Å; T191-L195 WeakPolarHBondContact O-CG 3.2Å; T191-L195 PolarHBondContact O-N 3.02Å; T191-I245 HydrophobicContact CG2-CB 4Å; T191-I245 HydrophobicContact CG2-CG1 4.08Å; T191-I245 HydrophobicContact CG2-CG2 3.63Å; T191-R248 WeakPolarHBondContact OG1-CB 3.25Å; T191-P249 HydrophobicContact CG2-CG 4.42Å |
| 192 | A | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 2% | 0.017 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | A161 F164 I165 V188 L189 I190 L195 L196 | A161-A192 HydrophobicContact CB-CB 4.03Å; A161-A192 WeakPolarHBondContact CB-O 3.39Å; F164-A192 HydrophobicContact CB-CB 4.04Å; I165-A192 HydrophobicContact CD1-CB 4.17Å; I165-A192 HydrophobicContact CG1-CB 3.75Å; V188-A192 WeakPolarHBondContact O-CB 3.22Å; V188-A192 PolarHBondContact O-N 3.44Å; L189-A192 PolarHBondContact O-N 3.49Å; I190-A192 VanDerWaalsContact C-N 3.35Å; I190-A192 PolarHBondContact O-N 3.42Å; A192-L195 PolarHBondContact O-N 2.94Å; A192-L196 WeakPolarHBondContact O-CB 3.31Å; A192-L196 PolarHBondContact O-N 3.47Å |
| 193 | V | 98.6 | Very high | 97.8 | Very high | 60 Ų | 60 | 20.7 Ų | 20.7 | 36% | 0.364 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -62.2 | -43.3 | 174.2 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | I165 L189 I190 T191 L196 L197 | I165-V193 HydrophobicContact CD1-CG2 4.03Å; I165-V193 HydrophobicContact CG1-CG2 4.25Å; L189-V193 WeakPolarHBondContact O-CG2 3.29Å; L189-V193 PolarHBondContact O-N 3.01Å; I190-V193 PolarHBondContact O-N 3.11Å; T191-V193 PolarHBondContact O-N 3.25Å; V193-L196 PolarHBondContact O-N 3.5Å; V193-L197 HydrophobicContact CG1-CD1 3.93Å; V193-L197 WeakPolarHBondContact O-CG 3.34Å; V193-L197 PolarHBondContact O-N 3.42Å; V193-L197 VanDerWaalsContact O-N 3.16Å |
| 194 | L | 97.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.2 | -44.1 | 176.9 | -65.4 | 179 | 0 | 0 | 0 | 112.2 | I190 T191 L196 L197 S198 I245 R248 F285 | I190-L194 HydrophobicContact CG2-CD1 4.48Å; I190-L194 WeakPolarHBondContact O-CG 3.33Å; I190-L194 PolarHBondContact O-N 2.98Å; T191-L194 PolarHBondContact O-N 2.89Å; L194-L196 VanDerWaalsContact C-N 3.32Å; L194-L196 PolarHBondContact O-N 2.87Å; L194-L197 PolarHBondContact O-N 3.17Å; L194-S198 VanDerWaalsContact O-CB 3.26Å; L194-S198 WeakPolarHBondContact O-CB 3.37Å; L194-S198 PolarHBondContact O-N 2.7Å; L194-S198 PolarHBondContact O-OG 2.9Å; L194-I245 HydrophobicContact CB-CD1 3.73Å; L194-I245 HydrophobicContact CB-CG1 3.66Å; L194-I245 HydrophobicContact CD1-CG1 4.11Å; L194-R248 VanDerWaalsContact CD1-NH2 3.28Å; L194-F285 HydrophobicContact CD2-CD2 4.01Å; L194-F285 HydrophobicContact CD2-CE2 3.22Å; L194-F285 HydrophobicContact CD2-CZ 3.73Å |
| 195 | L | 97.1 | Very high | 97.9 | Very high | 2 Ų | 2 | 22.7 Ų | 22.7 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.7 | -47.2 | 177.4 | -80.2 | 169.4 | 0 | 0 | 0 | 111 | M71 I75 A161 T191 A192 L197 L199 I245 | M71-L195 HydrophobicContact SD-CD2 4.26Å; I75-L195 HydrophobicContact CD1-CD1 3.75Å; A161-L195 HydrophobicContact CB-CB 4.04Å; T191-L195 HydrophobicContact CG2-CD1 4.37Å; T191-L195 WeakPolarHBondContact O-CG 3.2Å; T191-L195 PolarHBondContact O-N 3.02Å; A192-L195 PolarHBondContact O-N 2.94Å; L195-L197 VanDerWaalsContact C-N 3.28Å; L195-L197 PolarHBondContact O-N 2.91Å; L195-L199 HydrophobicContact CB-CD1 4.28Å; L195-L199 HydrophobicContact CD2-CD1 3.68Å; L195-L199 HydrophobicContact CD2-CG 4.16Å; L195-L199 WeakPolarHBondContact O-CB 3.21Å; L195-L199 WeakPolarHBondContact O-CG 3.2Å; L195-L199 PolarHBondContact O-N 3Å; L195-L199 VanDerWaalsContact O-N 3.15Å; L195-I245 HydrophobicContact CB-CD1 4.5Å; L195-I245 HydrophobicContact CD1-CG2 4.3Å; L195-I245 HydrophobicContact CD2-CD1 3.78Å; L195-I245 HydrophobicContact CD2-CG1 4.47Å; L195-I245 HydrophobicContact CD2-CG2 3.81Å; L195-I245 HydrophobicContact CG-CD1 3.83Å; L195-I245 HydrophobicContact CG-CG1 4.21Å; L195-I245 HydrophobicContact CG-CG2 3.92Å |
| 196 | L | 97.3 | Very high | 98 | Very high | 66 Ų | 66 | 22.8 Ų | 22.8 | 35% | 0.346 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -60.9 | -36.7 | -179.9 | -176.3 | 63.1 | 0 | 0 | 0 | 112.6 | I158 I162 I165 A192 V193 L194 P200 | I158-L196 HydrophobicContact CG2-CD1 4.18Å; I162-L196 HydrophobicContact CD1-CD1 4.46Å; I162-L196 HydrophobicContact CG1-CD1 4.09Å; I165-L196 HydrophobicContact CD1-CD2 4.05Å; A192-L196 WeakPolarHBondContact O-CB 3.31Å; A192-L196 PolarHBondContact O-N 3.47Å; V193-L196 PolarHBondContact O-N 3.5Å; L194-L196 VanDerWaalsContact C-N 3.32Å; L194-L196 PolarHBondContact O-N 2.87Å; L196-P200 WeakPolarHBondContact O-CD 3.32Å; L196-P200 WeakPolarHBondContact O-CG 3.33Å |
| 197 | L | 97.3 | Very high | 98 | Very high | 99 Ų | 99 | 24.8 Ų | 24.8 | 52% | 0.518 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -88.1 | -31.5 | -176.6 | -66.3 | 177.1 | 0 | 0 | 0 | 113.9 | V193 L194 L195 F285 | V193-L197 HydrophobicContact CG1-CD1 3.93Å; V193-L197 WeakPolarHBondContact O-CG 3.34Å; V193-L197 PolarHBondContact O-N 3.42Å; V193-L197 VanDerWaalsContact O-N 3.16Å; L194-L197 PolarHBondContact O-N 3.17Å; L195-L197 VanDerWaalsContact C-N 3.28Å; L195-L197 PolarHBondContact O-N 2.91Å; L197-F285 HydrophobicContact CB-CE1 4.36Å; L197-F285 HydrophobicContact CB-CE2 4.35Å; L197-F285 HydrophobicContact CB-CZ 3.67Å; L197-F285 HydrophobicContact CD1-CE2 4.16Å; L197-F285 HydrophobicContact CD1-CZ 4.31Å |
| 198 | S | 96.8 | Very high | 98 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -92.6 | -39.1 | -173 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | L194 P200 V201 | L194-S198 VanDerWaalsContact O-CB 3.26Å; L194-S198 WeakPolarHBondContact O-CB 3.37Å; L194-S198 PolarHBondContact O-N 2.7Å; L194-S198 PolarHBondContact O-OG 2.9Å; S198-P200 VanDerWaalsContact C-CD 3.48Å; S198-V201 PolarHBondContact O-N 2.9Å; S198-V201 VanDerWaalsContact O-N 3.13Å |
| 199 | L | 96.5 | Very high | 98 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.3 | -36.1 | -176.7 | -75.9 | 172.9 | 0 | 0 | 0 | 114.8 | I158 L195 V201 L202 A203 F238 | I158-L199 HydrophobicContact CD1-CB 4.09Å; I158-L199 HydrophobicContact CG1-CB 4.12Å; I158-L199 HydrophobicContact CG1-CD1 3.86Å; L195-L199 HydrophobicContact CB-CD1 4.28Å; L195-L199 HydrophobicContact CD2-CD1 3.68Å; L195-L199 HydrophobicContact CD2-CG 4.16Å; L195-L199 WeakPolarHBondContact O-CB 3.21Å; L195-L199 WeakPolarHBondContact O-CG 3.2Å; L195-L199 PolarHBondContact O-N 3Å; L195-L199 VanDerWaalsContact O-N 3.15Å; L199-V201 PolarHBondContact O-N 3.45Å; L199-L202 PolarHBondContact O-N 3.28Å; L199-A203 PolarHBondContact O-N 3.42Å; L199-F238 HydrophobicContact CD2-CD2 4.08Å; L199-F238 HydrophobicContact CD2-CE2 3.48Å; L199-F238 VanDerWaalsContact CD2-CE2 3.48Å; L199-F238 HydrophobicContact CD2-CZ 4.25Å; L199-F238 HydrophobicContact CG-CE2 4.33Å |
| 200 | P | 98.2 | Very high | 98 | Very high | 63 Ų | 63 | 27.1 Ų | 27.1 | 41% | 0.409 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.2 | -31.3 | 175.6 | -27.4 | 36.7 | 0 | 0 | 0 | 113.5 | L196 S198 A203 A204 | L196-P200 WeakPolarHBondContact O-CD 3.32Å; L196-P200 WeakPolarHBondContact O-CG 3.33Å; S198-P200 VanDerWaalsContact C-CD 3.48Å; P200-A203 PolarHBondContact O-N 3.22Å; P200-A204 WeakPolarHBondContact O-CB 3.44Å; P200-A204 PolarHBondContact O-N 3.46Å |
| 201 | V | 98.3 | Very high | 98 | Very high | 34 Ų | 34 | 27.5 Ų | 27.5 | 21% | 0.206 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -72.2 | -41.9 | 179 | -175.6 | 0 | 0 | 0 | 0 | 111.2 | S198 L199 A204 G205 L234 F237 | S198-V201 PolarHBondContact O-N 2.9Å; S198-V201 VanDerWaalsContact O-N 3.13Å; L199-V201 PolarHBondContact O-N 3.45Å; V201-A204 PolarHBondContact O-N 3.45Å; V201-G205 PolarHBondContact O-N 3.34Å; V201-L234 HydrophobicContact CG1-CB 4.34Å; V201-L234 HydrophobicContact CG1-CD2 3.86Å; V201-F237 HydrophobicContact CB-CD1 3.89Å; V201-F237 HydrophobicContact CB-CE1 4.44Å; V201-F237 HydrophobicContact CG1-CB 4.28Å; V201-F237 HydrophobicContact CG1-CD1 3.79Å; V201-F237 HydrophobicContact CG1-CG 4.34Å; V201-F237 HydrophobicContact CG2-CD1 3.64Å; V201-F237 HydrophobicContact CG2-CE1 3.7Å |
| 202 | L | 97.6 | Very high | 98 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 5% | 0.047 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -58.4 | -52 | 170.9 | 177.1 | 67.8 | 0 | 0 | 0 | 110.3 | L199 A204 G205 I206 F235 F238 | L199-L202 PolarHBondContact O-N 3.28Å; L202-A204 VanDerWaalsContact C-N 3.26Å; L202-A204 PolarHBondContact O-N 2.97Å; L202-G205 WeakPolarHBondContact O-CA 2.84Å; L202-G205 PolarHBondContact O-N 3.36Å; L202-I206 HydrophobicContact CD1-CG2 3.91Å; L202-I206 HydrophobicContact CG-CD1 4.46Å; L202-I206 HydrophobicContact CG-CG2 4.42Å; L202-I206 WeakPolarHBondContact O-CG1 3.49Å; L202-I206 PolarHBondContact O-N 3.17Å; L202-F235 HydrophobicContact CD1-CD2 3.94Å; L202-F235 HydrophobicContact CD1-CE2 4.18Å; L202-F238 HydrophobicContact CB-CB 3.87Å; L202-F238 HydrophobicContact CB-CD1 3.84Å; L202-F238 HydrophobicContact CB-CD2 4Å; L202-F238 HydrophobicContact CB-CE1 4.43Å; L202-F238 HydrophobicContact CB-CG 3.6Å; L202-F238 HydrophobicContact CD1-CD1 3.8Å; L202-F238 HydrophobicContact CD1-CE1 4.15Å; L202-F238 HydrophobicContact CD1-CG 4.43Å; L202-F238 HydrophobicContact CD2-CD1 3.88Å; L202-F238 HydrophobicContact CD2-CD2 4.42Å; L202-F238 HydrophobicContact CD2-CE1 3.62Å; L202-F238 HydrophobicContact CD2-CE2 4.18Å; L202-F238 HydrophobicContact CD2-CG 4.28Å; L202-F238 HydrophobicContact CD2-CZ 3.77Å; L202-F238 HydrophobicContact CG-CD1 4.04Å; L202-F238 HydrophobicContact CG-CE1 4.27Å; L202-F238 HydrophobicContact CG-CG 4.3Å |
| 203 | A | 98.4 | Very high | 97.9 | Very high | 33 Ų | 33 | 29 Ų | 29 | 27% | 0.273 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.6 | -42.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L199 P200 T207 | L199-A203 PolarHBondContact O-N 3.42Å; P200-A203 PolarHBondContact O-N 3.22Å; A203-T207 WeakPolarHBondContact O-CB 3.28Å; A203-T207 PolarHBondContact O-N 2.82Å; A203-T207 PolarHBondContact O-OG1 2.92Å |
| 204 | A | 98.5 | Very high | 97.9 | Very high | 45 Ų | 45 | 30.4 Ų | 30.4 | 37% | 0.372 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P200 V201 L202 T207 M208 | P200-A204 WeakPolarHBondContact O-CB 3.44Å; P200-A204 PolarHBondContact O-N 3.46Å; V201-A204 PolarHBondContact O-N 3.45Å; L202-A204 VanDerWaalsContact C-N 3.26Å; L202-A204 PolarHBondContact O-N 2.97Å; A204-T207 PolarHBondContact O-N 3.12Å; A204-M208 HydrophobicContact CB-CE 4.27Å; A204-M208 WeakPolarHBondContact O-CE 3.41Å; A204-M208 WeakPolarHBondContact O-CG 3.13Å; A204-M208 PolarHBondContact O-N 3.21Å |
| 205 | G | 98.5 | Very high | 97.9 | Very high | 3 Ų | 3 | 36 Ų | 36 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.4 | -50.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V201 L202 M208 L209 | V201-G205 PolarHBondContact O-N 3.34Å; L202-G205 WeakPolarHBondContact O-CA 2.84Å; L202-G205 PolarHBondContact O-N 3.36Å; G205-M208 PolarHBondContact O-N 3.16Å; G205-L209 PolarHBondContact O-N 2.65Å |
| 206 | I | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.9 | -25.4 | -179.6 | 64.2 | 173.9 | 0 | 0 | 0 | 112.7 | I147 L150 H151 L202 L210 | I147-I206 HydrophobicContact CG1-CB 4.4Å; I147-I206 HydrophobicContact CG2-CB 4.11Å; I147-I206 HydrophobicContact CG2-CD1 4.25Å; I147-I206 HydrophobicContact CG2-CG1 4.24Å; L150-I206 HydrophobicContact CB-CD1 3.84Å; H151-I206 VanDerWaalsContact CE1-CD1 3.45Å; H151-I206 WeakPolarHBondContact CE1-CD1 3.47Å; H151-I206 VanDerWaalsContact CE1-CG1 3.4Å; H151-I206 WeakPolarHBondContact CE1-CG1 3.31Å; L202-I206 HydrophobicContact CD1-CG2 3.91Å; L202-I206 HydrophobicContact CG-CD1 4.46Å; L202-I206 HydrophobicContact CG-CG2 4.42Å; L202-I206 WeakPolarHBondContact O-CG1 3.49Å; L202-I206 PolarHBondContact O-N 3.17Å; I206-L210 WeakPolarHBondContact O-CB 3.29Å; I206-L210 PolarHBondContact O-N 3.1Å |
| 207 | T | 98.6 | Very high | 97.9 | Very high | 57 Ų | 57 | 42.2 Ų | 42.2 | 35% | 0.35 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -68.5 | -45.8 | 169.9 | -64.3 | 0 | 0 | 0 | 0 | 110.9 | H151 A203 A204 L209 L210 T211 | H151-T207 PolarHBondContact NE2-OG1 3.14Å; A203-T207 WeakPolarHBondContact O-CB 3.28Å; A203-T207 PolarHBondContact O-N 2.82Å; A203-T207 PolarHBondContact O-OG1 2.92Å; A204-T207 PolarHBondContact O-N 3.12Å; T207-L209 PolarHBondContact O-N 3.21Å; T207-L210 WeakPolarHBondContact O-CB 3.33Å; T207-L210 PolarHBondContact O-N 2.96Å; T207-L210 VanDerWaalsContact O-N 3.08Å; T207-T211 WeakPolarHBondContact O-CG2 3.34Å; T207-T211 PolarHBondContact O-N 3.28Å |
| 208 | M | 98.6 | Very high | 97.9 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.6 | -39.2 | 174.4 | -74.8 | -177.4 | -77.7 | 0 | 0 | 111.3 | A204 G205 T211 D212 F219 F220 L234 | A204-M208 HydrophobicContact CB-CE 4.27Å; A204-M208 WeakPolarHBondContact O-CE 3.41Å; A204-M208 WeakPolarHBondContact O-CG 3.13Å; A204-M208 PolarHBondContact O-N 3.21Å; G205-M208 PolarHBondContact O-N 3.16Å; M208-T211 PolarHBondContact O-N 3.11Å; M208-T211 PolarHBondContact O-OG1 2.88Å; M208-D212 PolarHBondContact O-N 3.38Å; M208-F219 HydrophobicContact CB-CB 4.19Å; M208-F219 HydrophobicContact CB-CD2 3.67Å; M208-F219 HydrophobicContact CB-CE2 4.16Å; M208-F219 HydrophobicContact CB-CG 3.89Å; M208-F219 HydrophobicContact CG-CD1 4.08Å; M208-F219 HydrophobicContact CG-CD2 3.75Å; M208-F219 HydrophobicContact CG-CE1 4.12Å; M208-F219 HydrophobicContact CG-CE2 3.81Å; M208-F219 HydrophobicContact CG-CG 3.9Å; M208-F219 HydrophobicContact CG-CZ 4Å; M208-F219 HydrophobicContact SD-CD1 3.6Å; M208-F219 HydrophobicContact SD-CD2 4.36Å; M208-F219 HydrophobicContact SD-CE1 3.79Å; M208-F219 HydrophobicContact SD-CG 3.92Å; M208-F219 HydrophobicContact SD-CZ 4.26Å; M208-F220 HydrophobicContact CB-CE2 3.64Å; M208-F220 HydrophobicContact CB-CZ 3.73Å; M208-F220 HydrophobicContact CE-CZ 4.32Å; M208-F220 HydrophobicContact SD-CZ 4.47Å; M208-L234 HydrophobicContact CE-CD1 3.31Å |
| 209 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66 | -40.3 | 175.1 | 179.3 | 62.4 | 0 | 0 | 0 | 111.4 | V128 P130 A133 I147 G205 T207 T211 D212 R213 F220 Y231 | V128-L209 HydrophobicContact CG1-CD2 3.82Å; P130-L209 HydrophobicContact CB-CD1 4.13Å; P130-L209 HydrophobicContact CG-CD1 4.43Å; A133-L209 HydrophobicContact CB-CD1 4.39Å; A133-L209 HydrophobicContact CB-CD2 3.9Å; I147-L209 HydrophobicContact CD1-CD2 4.15Å; I147-L209 HydrophobicContact CD1-CG 4.21Å; G205-L209 PolarHBondContact O-N 2.65Å; T207-L209 PolarHBondContact O-N 3.21Å; L209-T211 VanDerWaalsContact C-N 3.32Å; L209-T211 PolarHBondContact O-N 2.85Å; L209-D212 PolarHBondContact O-N 3.49Å; L209-R213 VanDerWaalsContact O-CG 3.27Å; L209-R213 WeakPolarHBondContact O-CG 3.32Å; L209-R213 PolarHBondContact O-N 3.4Å; L209-F220 HydrophobicContact CB-CD2 4.32Å; L209-F220 HydrophobicContact CB-CE2 4.03Å; L209-F220 HydrophobicContact CD1-CD2 4.35Å; L209-Y231 HydrophobicContact CB-CE2 4.19Å; L209-Y231 HydrophobicContact CD2-CE2 3.98Å |
| 210 | L | 98.4 | Very high | 98 | Very high | 29 Ų | 29 | 44.5 Ų | 44.5 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -39.6 | 176.2 | -171.6 | 68.6 | 0 | 0 | 0 | 111.7 | D144 I147 F148 I206 T207 R213 N214 | D144-L210 HydrophobicContact CB-CD1 4Å; D144-L210 VanDerWaalsContact OD1-CD1 3.3Å; D144-L210 WeakPolarHBondContact OD1-CD1 3.13Å; I147-L210 HydrophobicContact CD1-CB 4.18Å; I147-L210 HydrophobicContact CD1-CD1 4.14Å; I147-L210 HydrophobicContact CG2-CB 4.23Å; I147-L210 HydrophobicContact CG2-CD1 4.33Å; I147-L210 HydrophobicContact CG2-CD2 4.35Å; F148-L210 HydrophobicContact CE1-CD2 3.9Å; F148-L210 HydrophobicContact CZ-CD1 4.45Å; F148-L210 HydrophobicContact CZ-CD2 3.98Å; I206-L210 WeakPolarHBondContact O-CB 3.29Å; I206-L210 PolarHBondContact O-N 3.1Å; T207-L210 WeakPolarHBondContact O-CB 3.33Å; T207-L210 PolarHBondContact O-N 2.96Å; T207-L210 VanDerWaalsContact O-N 3.08Å; L210-R213 PolarHBondContact O-N 2.72Å; L210-N214 WeakPolarHBondContact CD1-ND2 3.38Å; L210-N214 WeakPolarHBondContact O-CB 3.25Å; L210-N214 PolarHBondContact O-N 3.49Å; L210-N214 PolarHBondContact O-ND2 3.47Å |
| 211 | T | 98.3 | Very high | 97.9 | Very high | 27 Ų | 27 | 45.2 Ų | 45.2 | 17% | 0.166 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.1 | -34.5 | 176.7 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | T207 M208 L209 R213 N214 L215 N216 T217 | T207-T211 WeakPolarHBondContact O-CG2 3.34Å; T207-T211 PolarHBondContact O-N 3.28Å; M208-T211 PolarHBondContact O-N 3.11Å; M208-T211 PolarHBondContact O-OG1 2.88Å; L209-T211 VanDerWaalsContact C-N 3.32Å; L209-T211 PolarHBondContact O-N 2.85Å; T211-R213 PolarHBondContact O-N 2.79Å; T211-N214 PolarHBondContact O-N 3.05Å; T211-L215 HydrophobicContact CG2-CD1 3.87Å; T211-L215 CarbonylContact O-C 3.38Å; T211-L215 WeakPolarHBondContact O-CA 3.4Å; T211-L215 PolarHBondContact O-N 2.94Å; T211-N216 PolarHBondContact O-N 3.4Å; T211-T217 VanDerWaalsContact CB-OG1 3.3Å; T211-T217 WeakPolarHBondContact CB-OG1 3.16Å; T211-T217 PolarHBondContact O-N 2.93Å; T211-T217 PolarHBondContact O-OG1 3.32Å; T211-T217 PolarHBondContact OG1-OG1 3.21Å |
| 212 | D | 97.9 | Very high | 97.7 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 14% | 0.144 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -37 | 173.3 | -83 | 12.7 | 0 | 0 | 0 | 110.7 | M208 L209 T217 T218 F219 F220 | M208-D212 PolarHBondContact O-N 3.38Å; L209-D212 PolarHBondContact O-N 3.49Å; D212-T217 WeakPolarHBondContact CA-O 3.37Å; D212-T217 WeakPolarHBondContact CA-OG1 3.48Å; D212-T217 PolarHBondContact N-OG1 2.94Å; D212-T217 WeakPolarHBondContact OD1-CB 3.45Å; D212-T217 VanDerWaalsContact OD1-O 3.11Å; D212-T217 PolarHBondContact OD1-OG1 3.45Å; D212-T218 PolarHBondContact OD1-N 2.91Å; D212-T218 VanDerWaalsContact OD1-N 3.13Å; D212-F219 VanDerWaalsContact CG-N 3.33Å; D212-F219 WeakPolarHBondContact OD1-CD2 3.37Å; D212-F219 PolarHBondContact OD1-N 3.48Å; D212-F219 PolarHBondContact OD2-N 3.41Å; D212-F220 PolarHBondContact OD2-N 3.39Å |
| 213 | R | 97.4 | Very high | 97.6 | Very high | 6 Ų | 6 | 51.7 Ų | 51.7 | 2% | 0.023 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -72.8 | -41.6 | 175.3 | -69.2 | 170.8 | 58.2 | 68.4 | 14.8 | 113.1 | A133 N135 H138 G140 D144 L209 L210 T211 | A133-R213 WeakPolarHBondContact O-CD 3.24Å; A133-R213 PolarHBondContact O-NH1 3.4Å; N135-R213 PolarHBondContact ND2-O 3.32Å; N135-R213 PolarHBondContact OD1-NH1 2.72Å; H138-R213 PolarHBondContact O-NH1 3.14Å; H138-R213 PolarHBondContact O-NH2 2.98Å; G140-R213 PolarHBondContact O-NH2 3.31Å; D144-R213 IonicContact OD1-CZ 3.78Å; D144-R213 IonicContact OD1-NE 3.47Å; D144-R213 PolarHBondContact OD1-NE 3.36Å; D144-R213 IonicContact OD1-NH2 2.91Å; D144-R213 PolarHBondContact OD1-NH2 3.4Å; D144-R213 IonicContact OD2-CZ 3.69Å; D144-R213 IonicContact OD2-NE 2.79Å; D144-R213 IonicContact OD2-NH2 3.58Å; D144-R213 PolarHBondContact OD2-NH2 2.87Å; L209-R213 VanDerWaalsContact O-CG 3.27Å; L209-R213 WeakPolarHBondContact O-CG 3.32Å; L209-R213 PolarHBondContact O-N 3.4Å; L210-R213 PolarHBondContact O-N 2.72Å; T211-R213 PolarHBondContact O-N 2.79Å |
| 214 | N | 97.9 | Very high | 97.4 | Very high | 89 Ų | 89 | 52 Ų | 52 | 48% | 0.476 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -114.5 | -19.7 | -164.5 | -66 | -82.5 | 0 | 0 | 0 | 115.1 | D144 L210 T211 | D144-N214 PolarHBondContact OD1-ND2 3.47Å; L210-N214 WeakPolarHBondContact CD1-ND2 3.38Å; L210-N214 WeakPolarHBondContact O-CB 3.25Å; L210-N214 PolarHBondContact O-N 3.49Å; L210-N214 PolarHBondContact O-ND2 3.47Å; T211-N214 PolarHBondContact O-N 3.05Å |
| 215 | L | 97.5 | Very high | 97.2 | Very high | 122 Ų | 122 | 53.3 Ų | 53.3 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | S | Bend | trans | -122.8 | 15 | -171.6 | -57.9 | -177.9 | 0 | 0 | 0 | 113.3 | T211 T217 | T211-L215 HydrophobicContact CG2-CD1 3.87Å; T211-L215 CarbonylContact O-C 3.38Å; T211-L215 WeakPolarHBondContact O-CA 3.4Å; T211-L215 PolarHBondContact O-N 2.94Å; L215-T217 PolarHBondContact O-N 2.94Å |
| 216 | N | 95.4 | Very high | 97.2 | Very high | 153 Ų | 153 | 53.9 Ų | 53.9 | 82% | 0.818 | 34% | 0.337 | S | S | * | . | trans | 54.3 | 31.5 | 179.8 | -56.3 | -51.2 | 0 | 0 | 0 | 113.8 | T211 | T211-N216 PolarHBondContact O-N 3.4Š| ||
| 217 | T | 97.8 | Very high | 97.1 | Very high | 46 Ų | 46 | 57.3 Ų | 57.3 | 28% | 0.282 | 36% | 0.355 | S | S | . | . | trans | -77.1 | 166.2 | 164.7 | 64 | 0 | 0 | 0 | 0 | 109.9 | T211 D212 L215 F219 | T211-T217 VanDerWaalsContact CB-OG1 3.3Å; T211-T217 WeakPolarHBondContact CB-OG1 3.16Å; T211-T217 PolarHBondContact O-N 2.93Å; T211-T217 PolarHBondContact O-OG1 3.32Å; T211-T217 PolarHBondContact OG1-OG1 3.21Å; D212-T217 WeakPolarHBondContact CA-O 3.37Å; D212-T217 WeakPolarHBondContact CA-OG1 3.48Å; D212-T217 PolarHBondContact N-OG1 2.94Å; D212-T217 WeakPolarHBondContact OD1-CB 3.45Å; D212-T217 VanDerWaalsContact OD1-O 3.11Å; D212-T217 PolarHBondContact OD1-OG1 3.45Å; L215-T217 PolarHBondContact O-N 2.94Å; T217-F219 HydrophobicContact CG2-CE2 4.27Å | ||
| 218 | T | 97.3 | Very high | 97.1 | Very high | 61 Ų | 61 | 55.9 Ų | 55.9 | 37% | 0.374 | 35% | 0.347 | S | S | . | . | trans | -138.3 | 49.2 | -175.7 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | D212 G224 G226 | D212-T218 PolarHBondContact OD1-N 2.91Å; D212-T218 VanDerWaalsContact OD1-N 3.13Å; T218-G224 PolarHBondContact OG1-O 2.91Å; T218-G226 WeakPolarHBondContact O-CA 3.43Å; T218-G226 PolarHBondContact O-N 2.9Å | ||
| 219 | F | 98.2 | Very high | 97 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 39% | 0.39 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -64 | -40.7 | 177 | -72.2 | -75.8 | 0 | 0 | 0 | 112.1 | M208 D212 T217 G226 D227 | M208-F219 HydrophobicContact CB-CB 4.19Å; M208-F219 HydrophobicContact CB-CD2 3.67Å; M208-F219 HydrophobicContact CB-CE2 4.16Å; M208-F219 HydrophobicContact CB-CG 3.89Å; M208-F219 HydrophobicContact CG-CD1 4.08Å; M208-F219 HydrophobicContact CG-CD2 3.75Å; M208-F219 HydrophobicContact CG-CE1 4.12Å; M208-F219 HydrophobicContact CG-CE2 3.81Å; M208-F219 HydrophobicContact CG-CG 3.9Å; M208-F219 HydrophobicContact CG-CZ 4Å; M208-F219 HydrophobicContact SD-CD1 3.6Å; M208-F219 HydrophobicContact SD-CD2 4.36Å; M208-F219 HydrophobicContact SD-CE1 3.79Å; M208-F219 HydrophobicContact SD-CG 3.92Å; M208-F219 HydrophobicContact SD-CZ 4.26Å; D212-F219 VanDerWaalsContact CG-N 3.33Å; D212-F219 WeakPolarHBondContact OD1-CD2 3.37Å; D212-F219 PolarHBondContact OD1-N 3.48Å; D212-F219 PolarHBondContact OD2-N 3.41Å; T217-F219 HydrophobicContact CG2-CE2 4.27Å; F219-G226 CarbonylContact O-C 3.59Å; F219-G226 WeakPolarHBondContact O-CA 3.02Å; F219-D227 PolarHBondContact O-N 3.32Å |
| 220 | F | 98.1 | Very high | 97 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.009 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -117.9 | -3.8 | -173.6 | -49.2 | -55.8 | 0 | 0 | 0 | 113.7 | P130 M208 L209 D212 P222 P228 L230 Y231 L234 | P130-F220 HydrophobicContact CB-CB 3.84Å; P130-F220 HydrophobicContact CG-CB 3.54Å; P130-F220 HydrophobicContact CG-CD2 4.01Å; P130-F220 HydrophobicContact CG-CG 3.79Å; M208-F220 HydrophobicContact CB-CE2 3.64Å; M208-F220 HydrophobicContact CB-CZ 3.73Å; M208-F220 HydrophobicContact CE-CZ 4.32Å; M208-F220 HydrophobicContact SD-CZ 4.47Å; L209-F220 HydrophobicContact CB-CD2 4.32Å; L209-F220 HydrophobicContact CB-CE2 4.03Å; L209-F220 HydrophobicContact CD1-CD2 4.35Å; D212-F220 PolarHBondContact OD2-N 3.39Å; F220-P222 WeakPolarHBondContact O-CD 3.17Å; F220-P228 VanDerWaalsContact O-CD 3.27Å; F220-P228 WeakPolarHBondContact O-CD 3.38Å; F220-P228 VanDerWaalsContact O-CG 3.3Å; F220-P228 WeakPolarHBondContact O-CG 3.48Å; F220-L230 HydrophobicContact CD1-CB 4.4Å; F220-L230 HydrophobicContact CE1-CB 4.29Å; F220-L230 HydrophobicContact CE1-CD2 4.15Å; F220-L230 HydrophobicContact CE1-CG 4.08Å; F220-Y231 HydrophobicContact CD2-CD2 4.08Å; F220-Y231 HydrophobicContact CE1-CD2 4.2Å; F220-Y231 HydrophobicContact CE1-CG 4.43Å; F220-Y231 AromaticContact CE2-CD2 3.62Å; F220-Y231 HydrophobicContact CE2-CD2 3.62Å; F220-Y231 HydrophobicContact CE2-CE2 4.46Å; F220-Y231 AromaticContact CZ-CD2 3.68Å; F220-Y231 HydrophobicContact CZ-CD2 3.68Å; F220-Y231 HydrophobicContact CZ-CG 4.35Å; F220-L234 HydrophobicContact CE1-CD1 4.24Å; F220-L234 HydrophobicContact CZ-CD1 4.21Å |
| 221 | D | 95.9 | Very high | 97 | Very high | 78 Ų | 78 | 58.9 Ų | 58.9 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | trans | -88.6 | 112.7 | 177.9 | -176.4 | 0.3 | 0 | 0 | 0 | 111.5 | A223 G224 G225 G226 | D221-A223 PolarHBondContact O-N 3.48Å; D221-A223 WeakPolarHBondContact OD1-CB 3.2Å; D221-A223 PolarHBondContact OD1-N 2.97Å; D221-G224 PolarHBondContact O-N 3.44Å; D221-G225 PolarHBondContact O-N 2.94Å; D221-G226 WeakPolarHBondContact O-CA 3.48Å; D221-G226 PolarHBondContact O-N 3.26Å | ||
| 222 | P | 95.3 | Very high | 97 | Very high | 81 Ų | 81 | 59.3 Ų | 59.3 | 53% | 0.526 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -58.5 | -27.6 | 177.1 | -24 | 35.3 | 0 | 0 | 0 | 114.4 | F220 G224 G225 G226 P228 | F220-P222 WeakPolarHBondContact O-CD 3.17Å; P222-G224 PolarHBondContact O-N 2.97Å; P222-G225 PolarHBondContact O-N 3.39Å; P222-G225 VanDerWaalsContact O-N 3.07Å; P222-G226 WeakPolarHBondContact CA-O 3.4Å; P222-P228 HydrophobicContact CG-CG 4.01Å |
| 223 | A | 94.1 | Very high | 97 | Very high | 97 Ų | 97 | 61.2 Ų | 61.2 | 80% | 0.802 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -65.2 | -27.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D221 | D221-A223 PolarHBondContact O-N 3.48Å; D221-A223 WeakPolarHBondContact OD1-CB 3.2Å; D221-A223 PolarHBondContact OD1-N 2.97Å |
| 224 | G | 94.2 | Very high | 97.1 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -99.6 | 10.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T218 D221 P222 | T218-G224 PolarHBondContact OG1-O 2.91Å; D221-G224 PolarHBondContact O-N 3.44Å; P222-G224 PolarHBondContact O-N 2.97Å |
| 225 | G | 95.8 | Very high | 97.1 | Very high | 72 Ų | 72 | 58.8 Ų | 58.8 | 74% | 0.742 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | 9.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | D221 P222 | D221-G225 PolarHBondContact O-N 2.94Å; P222-G225 PolarHBondContact O-N 3.39Å; P222-G225 VanDerWaalsContact O-N 3.07Å |
| 226 | G | 97.3 | Very high | 97.1 | Very high | 15 Ų | 15 | 53.6 Ų | 53.6 | 16% | 0.155 | 33% | 0.33 | C | S | . | . | trans | -76.7 | 170.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | T218 F219 D221 P222 | T218-G226 WeakPolarHBondContact O-CA 3.43Å; T218-G226 PolarHBondContact O-N 2.9Å; F219-G226 CarbonylContact O-C 3.59Å; F219-G226 WeakPolarHBondContact O-CA 3.02Å; D221-G226 WeakPolarHBondContact O-CA 3.48Å; D221-G226 PolarHBondContact O-N 3.26Å; P222-G226 WeakPolarHBondContact CA-O 3.4Å | ||
| 227 | D | 97.5 | Very high | 97.2 | Very high | 74 Ų | 74 | 49 Ų | 49 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | trans | -132.2 | 113.4 | -178.7 | -178.8 | 9.7 | 0 | 0 | 0 | 112 | F219 I229 L230 | F219-D227 PolarHBondContact O-N 3.32Å; D227-I229 PolarHBondContact O-N 2.99Å; D227-I229 WeakPolarHBondContact OD1-CB 3.49Å; D227-I229 PolarHBondContact OD1-N 2.72Å; D227-L230 HydrophobicContact CB-CB 4.31Å; D227-L230 VanDerWaalsContact O-CB 3.25Å; D227-L230 WeakPolarHBondContact O-CB 3.34Å; D227-L230 PolarHBondContact O-N 2.89Å; D227-L230 VanDerWaalsContact O-N 3.09Å | ||
| 228 | P | 96.9 | Very high | 97.2 | Very high | 28 Ų | 28 | 46.9 Ų | 46.9 | 18% | 0.182 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58 | -26.5 | 173.1 | -23.4 | 31.7 | 0 | 0 | 0 | 114.3 | F220 P222 L230 Y231 Q232 | F220-P228 VanDerWaalsContact O-CD 3.27Å; F220-P228 WeakPolarHBondContact O-CD 3.38Å; F220-P228 VanDerWaalsContact O-CG 3.3Å; F220-P228 WeakPolarHBondContact O-CG 3.48Å; P222-P228 HydrophobicContact CG-CG 4.01Å; P228-L230 VanDerWaalsContact C-N 3.3Å; P228-Y231 WeakPolarHBondContact O-CB 3.32Å; P228-Y231 PolarHBondContact O-N 3.25Å; P228-Q232 PolarHBondContact O-N 3.25Å |
| 229 | I | 97.9 | Very high | 97.1 | Very high | 56 Ų | 56 | 44 Ų | 44 | 29% | 0.287 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -70.2 | -30.3 | 178.1 | -59.2 | 175.9 | 0 | 0 | 0 | 110.6 | D227 Y231 Q232 H233 M292 V295 | D227-I229 PolarHBondContact O-N 2.99Å; D227-I229 WeakPolarHBondContact OD1-CB 3.49Å; D227-I229 PolarHBondContact OD1-N 2.72Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 3.39Å; I229-Q232 WeakPolarHBondContact O-CB 3.11Å; I229-Q232 PolarHBondContact O-N 2.91Å; I229-H233 PolarHBondContact O-CD2 2.88Å; I229-H233 PolarHBondContact O-N 3.33Å; I229-M292 HydrophobicContact CG2-CE 3.73Å; I229-V295 HydrophobicContact CD1-CB 4.4Å; I229-V295 HydrophobicContact CG2-CG2 4.24Å |
| 230 | L | 98.1 | Very high | 97 | Very high | 71 Ų | 71 | 40.1 Ų | 40.1 | 37% | 0.372 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -56.7 | -43.4 | 170.9 | 177.7 | 62.1 | 0 | 0 | 0 | 111.1 | F220 D227 P228 Q232 H233 L234 | F220-L230 HydrophobicContact CD1-CB 4.4Å; F220-L230 HydrophobicContact CE1-CB 4.29Å; F220-L230 HydrophobicContact CE1-CD2 4.15Å; F220-L230 HydrophobicContact CE1-CG 4.08Å; D227-L230 HydrophobicContact CB-CB 4.31Å; D227-L230 VanDerWaalsContact O-CB 3.25Å; D227-L230 WeakPolarHBondContact O-CB 3.34Å; D227-L230 PolarHBondContact O-N 2.89Å; D227-L230 VanDerWaalsContact O-N 3.09Å; P228-L230 VanDerWaalsContact C-N 3.3Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.44Å; L230-H233 PolarHBondContact O-N 3.37Å; L230-L234 HydrophobicContact CD1-CD1 4.38Å; L230-L234 HydrophobicContact CD1-CG 4.38Å; L230-L234 HydrophobicContact CG-CD1 4.13Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.15Å |
| 231 | Y | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.8 | -43 | 175.8 | -175.5 | -81.7 | 0 | 0 | 0 | 111.1 | T127 V128 Y129 P130 L209 F220 P228 I229 H233 L234 F235 | T127-Y231 WeakPolarHBondContact O-CE1 3.22Å; T127-Y231 PolarHBondContact O-OH 3.36Å; V128-Y231 PolarHBondContact O-OH 3.26Å; Y129-Y231 AromaticContact CD1-CD1 3.59Å; Y129-Y231 HydrophobicContact CD1-CD1 3.59Å; Y129-Y231 AromaticContact CD1-CE1 3.61Å; Y129-Y231 HydrophobicContact CD1-CE1 3.61Å; Y129-Y231 HydrophobicContact CE1-CD1 4.11Å; Y129-Y231 HydrophobicContact CE1-CE1 4.12Å; P130-Y231 HydrophobicContact CG-CD1 4.42Å; P130-Y231 HydrophobicContact CG-CD2 4.08Å; P130-Y231 HydrophobicContact CG-CG 3.8Å; L209-Y231 HydrophobicContact CB-CE2 4.19Å; L209-Y231 HydrophobicContact CD2-CE2 3.98Å; F220-Y231 HydrophobicContact CD2-CD2 4.08Å; F220-Y231 HydrophobicContact CE1-CD2 4.2Å; F220-Y231 HydrophobicContact CE1-CG 4.43Å; F220-Y231 AromaticContact CE2-CD2 3.62Å; F220-Y231 HydrophobicContact CE2-CD2 3.62Å; F220-Y231 HydrophobicContact CE2-CE2 4.46Å; F220-Y231 AromaticContact CZ-CD2 3.68Å; F220-Y231 HydrophobicContact CZ-CD2 3.68Å; F220-Y231 HydrophobicContact CZ-CG 4.35Å; P228-Y231 WeakPolarHBondContact O-CB 3.32Å; P228-Y231 PolarHBondContact O-N 3.25Å; I229-Y231 VanDerWaalsContact C-N 3.27Å; I229-Y231 PolarHBondContact O-N 3.39Å; Y231-H233 VanDerWaalsContact C-N 3.33Å; Y231-H233 PolarHBondContact O-N 3.22Å; Y231-L234 PolarHBondContact O-N 3.49Å; Y231-F235 HydrophobicContact CD1-CB 4.16Å; Y231-F235 HydrophobicContact CE1-CB 3.84Å; Y231-F235 HydrophobicContact CE1-CD2 4.08Å; Y231-F235 HydrophobicContact CE1-CG 4.19Å; Y231-F235 VanDerWaalsContact O-CB 3.25Å; Y231-F235 WeakPolarHBondContact O-CB 3.48Å; Y231-F235 PolarHBondContact O-N 3.37Å |
| 232 | Q | 98.1 | Very high | 96.9 | Very high | 37 Ų | 37 | 36.4 Ų | 36.4 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 178 | -63.8 | -167.8 | 41.2 | 0 | 0 | 112.1 | Y129 P228 I229 L230 W236 M292 | Y129-Q232 HydrophobicContact CD1-CG 4.23Å; Y129-Q232 HydrophobicContact CE1-CG 3.87Å; Y129-Q232 HydrophobicContact CE2-CG 4.44Å; P228-Q232 PolarHBondContact O-N 3.25Å; I229-Q232 WeakPolarHBondContact O-CB 3.11Å; I229-Q232 PolarHBondContact O-N 2.91Å; L230-Q232 VanDerWaalsContact C-N 3.3Å; L230-Q232 PolarHBondContact O-N 3.44Å; Q232-W236 WeakPolarHBondContact O-CB 3.15Å; Q232-W236 PolarHBondContact O-N 2.88Å; Q232-M292 HydrophobicContact CB-CE 3.55Å; Q232-M292 HydrophobicContact CB-CG 4.38Å; Q232-M292 HydrophobicContact CB-SD 3.99Å |
| 233 | H | 98.2 | Very high | 96.8 | Very high | 67 Ų | 67 | 33.7 Ų | 33.7 | 31% | 0.31 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 175.3 | -76.9 | -60.6 | 0 | 0 | 0 | 112 | I229 L230 Y231 W236 F237 W288 M292 | I229-H233 PolarHBondContact O-CD2 2.88Å; I229-H233 PolarHBondContact O-N 3.33Å; L230-H233 PolarHBondContact O-N 3.37Å; Y231-H233 VanDerWaalsContact C-N 3.33Å; Y231-H233 PolarHBondContact O-N 3.22Å; H233-W236 PolarHBondContact O-N 3.26Å; H233-F237 WeakPolarHBondContact O-CB 3.27Å; H233-F237 PolarHBondContact O-N 3.39Å; H233-W288 AromaticContact ND1-NE1 3.58Å; H233-M292 WeakPolarHBondContact CE1-CE 3.36Å; H233-M292 WeakPolarHBondContact ND1-CE 3.38Å; H233-M292 PolarHBondContact ND1-SD 3.4Å |
| 234 | L | 98.3 | Very high | 96.7 | Very high | 35 Ų | 35 | 30.6 Ų | 30.6 | 18% | 0.183 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -46 | 178.8 | -66.3 | 169.4 | 0 | 0 | 0 | 111.6 | V201 M208 F220 L230 Y231 F238 | V201-L234 HydrophobicContact CG1-CB 4.34Å; V201-L234 HydrophobicContact CG1-CD2 3.86Å; M208-L234 HydrophobicContact CE-CD1 3.31Å; F220-L234 HydrophobicContact CE1-CD1 4.24Å; F220-L234 HydrophobicContact CZ-CD1 4.21Å; L230-L234 HydrophobicContact CD1-CD1 4.38Å; L230-L234 HydrophobicContact CD1-CG 4.38Å; L230-L234 HydrophobicContact CG-CD1 4.13Å; L230-L234 WeakPolarHBondContact O-CG 3.33Å; L230-L234 PolarHBondContact O-N 3.15Å; Y231-L234 PolarHBondContact O-N 3.49Å; L234-F238 PolarHBondContact O-N 2.88Å |
| 235 | F | 98.4 | Very high | 96.7 | Very high | 9 Ų | 9 | 28.8 Ų | 28.8 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -48.2 | 179.4 | -177.1 | -88.2 | 0 | 0 | 0 | 111.1 | W126 T127 Y129 L202 Y231 F238 G239 | W126-F235 HydrophobicContact CD2-CZ 4.31Å; W126-F235 AromaticContact CE3-CZ 3.71Å; W126-F235 HydrophobicContact CE3-CZ 3.71Å; W126-F235 AromaticContact CH2-CE1 3.89Å; W126-F235 HydrophobicContact CH2-CE1 3.89Å; W126-F235 AromaticContact CH2-CZ 3.85Å; W126-F235 HydrophobicContact CH2-CZ 3.85Å; W126-F235 HydrophobicContact CZ2-CE1 4.33Å; W126-F235 HydrophobicContact CZ2-CZ 4.43Å; W126-F235 HydrophobicContact CZ3-CE1 4Å; W126-F235 AromaticContact CZ3-CZ 3.46Å; W126-F235 HydrophobicContact CZ3-CZ 3.46Å; W126-F235 VanDerWaalsContact CZ3-CZ 3.46Å; T127-F235 HydrophobicContact CG2-CD1 4.35Å; T127-F235 HydrophobicContact CG2-CE1 3.67Å; T127-F235 HydrophobicContact CG2-CZ 3.93Å; Y129-F235 HydrophobicContact CE1-CD1 4.36Å; Y129-F235 HydrophobicContact CE1-CG 4.44Å; L202-F235 HydrophobicContact CD1-CD2 3.94Å; L202-F235 HydrophobicContact CD1-CE2 4.18Å; Y231-F235 HydrophobicContact CD1-CB 4.16Å; Y231-F235 HydrophobicContact CE1-CB 3.84Å; Y231-F235 HydrophobicContact CE1-CD2 4.08Å; Y231-F235 HydrophobicContact CE1-CG 4.19Å; Y231-F235 VanDerWaalsContact O-CB 3.25Å; Y231-F235 WeakPolarHBondContact O-CB 3.48Å; Y231-F235 PolarHBondContact O-N 3.37Å; F235-F238 WeakPolarHBondContact O-CB 3.24Å; F235-F238 PolarHBondContact O-N 3.46Å; F235-G239 WeakPolarHBondContact O-CA 3.36Å; F235-G239 PolarHBondContact O-N 2.93Å |
| 236 | W | 98.3 | Very high | 96.5 | Very high | 12 Ų | 12 | 25.4 Ų | 25.4 | 5% | 0.045 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -77.1 | -28 | -177.1 | -72.9 | 125.7 | 0 | 0 | 0 | 113.8 | W126 T127 Y129 Q232 H233 F238 G239 H240 W288 H291 | W126-W236 HydrophobicContact CH2-CH2 4.27Å; W126-W236 HydrophobicContact CH2-CZ3 4.06Å; W126-W236 AromaticContact CZ2-CH2 3.79Å; W126-W236 HydrophobicContact CZ2-CH2 3.79Å; W126-W236 HydrophobicContact CZ2-CZ3 4.02Å; T127-W236 HydrophobicContact CG2-CH2 4.38Å; T127-W236 HydrophobicContact CG2-CZ2 4.14Å; Y129-W236 AromaticContact CZ-NE1 3.97Å; Y129-W236 WeakPolarHBondContact OH-CZ2 3.47Å; Y129-W236 PolarHBondContact OH-NE1 3.37Å; Q232-W236 WeakPolarHBondContact O-CB 3.15Å; Q232-W236 PolarHBondContact O-N 2.88Å; H233-W236 PolarHBondContact O-N 3.26Å; W236-F238 PolarHBondContact O-N 3.5Å; W236-G239 PolarHBondContact O-N 2.87Å; W236-G239 VanDerWaalsContact O-N 3.12Å; W236-H240 PolarHBondContact O-N 3.22Å; W236-W288 HydrophobicContact CB-CB 4.19Å; W236-W288 VanDerWaalsContact O-CB 3.25Å; W236-W288 WeakPolarHBondContact O-CB 3.41Å; W236-H291 HydrophobicContact CD2-CB 3.4Å; W236-H291 AromaticContact CD2-CD2 3.54Å; W236-H291 AromaticContact CD2-CG 3.55Å; W236-H291 AromaticContact CE2-CG 3.75Å; W236-H291 HydrophobicContact CE3-CB 3.96Å; W236-H291 AromaticContact CE3-CD2 3.21Å; W236-H291 AromaticContact CE3-CG 3.53Å; W236-H291 AromaticContact CE3-NE2 3.6Å; W236-H291 HydrophobicContact CG-CB 3.67Å; W236-H291 HydrophobicContact CH2-CB 4.29Å; W236-H291 AromaticContact CH2-CG 3.95Å; W236-H291 AromaticContact CH2-ND1 3.82Å; W236-H291 HydrophobicContact CZ2-CB 3.78Å; W236-H291 AromaticContact CZ2-CG 3.96Å; W236-H291 HydrophobicContact CZ3-CB 4.36Å; W236-H291 AromaticContact CZ3-CD2 3.66Å; W236-H291 AromaticContact CZ3-CE1 3.74Å; W236-H291 AromaticContact CZ3-CG 3.74Å; W236-H291 AromaticContact CZ3-ND1 3.81Å; W236-H291 AromaticContact CZ3-NE2 3.63Å |
| 237 | F | 97.8 | Very high | 96.5 | Very high | 58 Ų | 58 | 24.9 Ų | 24.9 | 25% | 0.254 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -56.8 | -35.7 | 169.4 | -175.7 | -85.3 | 0 | 0 | 0 | 111.1 | V201 H233 P241 F285 W288 | V201-F237 HydrophobicContact CB-CD1 3.89Å; V201-F237 HydrophobicContact CB-CE1 4.44Å; V201-F237 HydrophobicContact CG1-CB 4.28Å; V201-F237 HydrophobicContact CG1-CD1 3.79Å; V201-F237 HydrophobicContact CG1-CG 4.34Å; V201-F237 HydrophobicContact CG2-CD1 3.64Å; V201-F237 HydrophobicContact CG2-CE1 3.7Å; H233-F237 WeakPolarHBondContact O-CB 3.27Å; H233-F237 PolarHBondContact O-N 3.39Å; F237-P241 WeakPolarHBondContact O-CD 3.33Å; F237-P241 WeakPolarHBondContact O-CG 3.35Å; F237-F285 HydrophobicContact CE1-CD1 4.02Å; F237-F285 HydrophobicContact CE1-CE1 4.14Å; F237-F285 HydrophobicContact CE2-CD1 4.38Å; F237-F285 AromaticContact CZ-CD1 3.79Å; F237-F285 HydrophobicContact CZ-CD1 3.79Å; F237-F285 HydrophobicContact CZ-CE1 4.32Å; F237-W288 HydrophobicContact CB-CG 4.43Å; F237-W288 HydrophobicContact CD2-CD2 4.16Å; F237-W288 HydrophobicContact CD2-CE3 4.12Å; F237-W288 HydrophobicContact CD2-CZ3 4.35Å |
| 238 | F | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -77.3 | -50.1 | 166.4 | 154.3 | -101.8 | 0 | 0 | 0 | 112.5 | F67 L199 L202 L234 F235 W236 H240 P241 E242 | F67-F238 HydrophobicContact CE1-CZ 4.08Å; F67-F238 HydrophobicContact CZ-CE1 4.29Å; F67-F238 HydrophobicContact CZ-CZ 4.02Å; L199-F238 HydrophobicContact CD2-CD2 4.08Å; L199-F238 HydrophobicContact CD2-CE2 3.48Å; L199-F238 VanDerWaalsContact CD2-CE2 3.48Å; L199-F238 HydrophobicContact CD2-CZ 4.25Å; L199-F238 HydrophobicContact CG-CE2 4.33Å; L202-F238 HydrophobicContact CB-CB 3.87Å; L202-F238 HydrophobicContact CB-CD1 3.84Å; L202-F238 HydrophobicContact CB-CD2 4Å; L202-F238 HydrophobicContact CB-CE1 4.43Å; L202-F238 HydrophobicContact CB-CG 3.6Å; L202-F238 HydrophobicContact CD1-CD1 3.8Å; L202-F238 HydrophobicContact CD1-CE1 4.15Å; L202-F238 HydrophobicContact CD1-CG 4.43Å; L202-F238 HydrophobicContact CD2-CD1 3.88Å; L202-F238 HydrophobicContact CD2-CD2 4.42Å; L202-F238 HydrophobicContact CD2-CE1 3.62Å; L202-F238 HydrophobicContact CD2-CE2 4.18Å; L202-F238 HydrophobicContact CD2-CG 4.28Å; L202-F238 HydrophobicContact CD2-CZ 3.77Å; L202-F238 HydrophobicContact CG-CD1 4.04Å; L202-F238 HydrophobicContact CG-CE1 4.27Å; L202-F238 HydrophobicContact CG-CG 4.3Å; L234-F238 PolarHBondContact O-N 2.88Å; F235-F238 WeakPolarHBondContact O-CB 3.24Å; F235-F238 PolarHBondContact O-N 3.46Å; W236-F238 PolarHBondContact O-N 3.5Å; F238-H240 VanDerWaalsContact C-N 3.33Å; F238-H240 PolarHBondContact O-N 2.9Å; F238-P241 VanDerWaalsContact O-CD 3.23Å; F238-P241 WeakPolarHBondContact O-CD 3.43Å; F238-E242 HydrophobicContact CD2-CB 4.32Å; F238-E242 HydrophobicContact CE1-CB 4.14Å; F238-E242 HydrophobicContact CE1-CG 4.21Å; F238-E242 HydrophobicContact CE2-CB 3.74Å; F238-E242 HydrophobicContact CE2-CG 3.93Å; F238-E242 WeakPolarHBondContact CE2-OE2 3.49Å; F238-E242 HydrophobicContact CZ-CB 3.65Å; F238-E242 HydrophobicContact CZ-CG 3.51Å; F238-E242 WeakPolarHBondContact O-CB 3.17Å; F238-E242 PolarHBondContact O-N 3.2Å |
| 239 | G | 95.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -65.8 | -32.3 | -164.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F235 W236 E242 V243 | F235-G239 WeakPolarHBondContact O-CA 3.36Å; F235-G239 PolarHBondContact O-N 2.93Å; W236-G239 PolarHBondContact O-N 2.87Å; W236-G239 VanDerWaalsContact O-N 3.12Å; G239-E242 WeakPolarHBondContact O-CB 3.22Å; G239-E242 PolarHBondContact O-N 3.31Å; G239-V243 WeakPolarHBondContact O-CG1 3.12Å; G239-V243 PolarHBondContact O-N 3.43Å |
| 240 | H | 95.8 | Very high | 96.3 | Very high | 8 Ų | 8 | 17.4 Ų | 17.4 | 4% | 0.037 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -74.3 | -46.5 | 176.6 | -165.8 | 78 | 0 | 0 | 0 | 113.2 | W236 F238 E242 V243 Y244 G284 V287 W288 H290 H291 | W236-H240 PolarHBondContact O-N 3.22Å; F238-H240 VanDerWaalsContact C-N 3.33Å; F238-H240 PolarHBondContact O-N 2.9Å; H240-E242 PolarHBondContact O-N 3.43Å; H240-V243 WeakPolarHBondContact O-CG2 3.28Å; H240-V243 PolarHBondContact O-N 2.93Å; H240-Y244 AromaticContact CD2-CE2 3.49Å; H240-Y244 VanDerWaalsContact CD2-CE2 3.49Å; H240-Y244 WeakPolarHBondContact CD2-CE2 3.21Å; H240-Y244 AromaticContact CE1-CE2 3.99Å; H240-Y244 AromaticContact CE1-CZ 3.81Å; H240-Y244 PolarHBondContact CE1-OH 3.41Å; H240-Y244 AromaticContact NE2-CE2 3Å; H240-Y244 WeakPolarHBondContact NE2-CE2 3.41Å; H240-Y244 AromaticContact NE2-CZ 3.15Å; H240-Y244 PolarHBondContact NE2-OH 3.39Å; H240-G284 PolarHBondContact CD2-O 2.84Å; H240-V287 WeakPolarHBondContact CD2-CG2 3.48Å; H240-V287 WeakPolarHBondContact NE2-CG2 3.39Å; H240-W288 HydrophobicContact CB-CB 4.09Å; H240-H290 AromaticContact CE1-CE1 3.04Å; H240-H290 PolarHBondContact CE1-CE1 3.34Å; H240-H290 AromaticContact CE1-NE2 3.32Å; H240-H290 PolarHBondContact CE1-NE2 3.2Å; H240-H290 VanDerWaalsContact CE1-NE2 3.32Å; H240-H290 AromaticContact CG-CE1 3.76Å; H240-H290 AromaticContact ND1-CE1 3Å; H240-H290 PolarHBondContact ND1-CE1 3.5Å; H240-H290 AromaticContact ND1-NE2 2.99Å; H240-H290 PolarHBondContact ND1-NE2 3.24Å; H240-H290 AromaticContact NE2-CE1 3.71Å; H240-H291 AromaticContact ND1-NE2 3.3Å; H240-H291 PolarHBondContact ND1-NE2 3.48Å |
| 241 | P | 96.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -53.5 | -39.2 | 165.1 | -30.4 | 36.3 | 0 | 0 | 0 | 113.8 | F237 F238 V243 Y244 I245 G284 F285 | F237-P241 WeakPolarHBondContact O-CD 3.33Å; F237-P241 WeakPolarHBondContact O-CG 3.35Å; F238-P241 VanDerWaalsContact O-CD 3.23Å; F238-P241 WeakPolarHBondContact O-CD 3.43Å; P241-V243 PolarHBondContact O-N 3.2Å; P241-Y244 WeakPolarHBondContact O-CA 3.37Å; P241-Y244 WeakPolarHBondContact O-CB 3.24Å; P241-Y244 PolarHBondContact O-N 3.39Å; P241-I245 WeakPolarHBondContact O-CG1 3.43Å; P241-I245 PolarHBondContact O-N 2.95Å; P241-G284 WeakPolarHBondContact CD-O 3.05Å; P241-F285 HydrophobicContact CB-CE1 4.16Å; P241-F285 HydrophobicContact CB-CZ 4.44Å; P241-F285 HydrophobicContact CG-CD1 3.68Å; P241-F285 HydrophobicContact CG-CE1 3.67Å; P241-F285 HydrophobicContact CG-CG 4.35Å; P241-F285 HydrophobicContact CG-CZ 4.36Å |
| 242 | E | 94.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 14.1 Ų | 14.1 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 179.5 | -177.3 | 59.5 | -156.5 | 0 | 0 | 112.2 | M71 F238 G239 H240 Y244 I245 L246 | M71-E242 WeakPolarHBondContact CE-OE1 3.38Å; F238-E242 HydrophobicContact CD2-CB 4.32Å; F238-E242 HydrophobicContact CE1-CB 4.14Å; F238-E242 HydrophobicContact CE1-CG 4.21Å; F238-E242 HydrophobicContact CE2-CB 3.74Å; F238-E242 HydrophobicContact CE2-CG 3.93Å; F238-E242 WeakPolarHBondContact CE2-OE2 3.49Å; F238-E242 HydrophobicContact CZ-CB 3.65Å; F238-E242 HydrophobicContact CZ-CG 3.51Å; F238-E242 WeakPolarHBondContact O-CB 3.17Å; F238-E242 PolarHBondContact O-N 3.2Å; G239-E242 WeakPolarHBondContact O-CB 3.22Å; G239-E242 PolarHBondContact O-N 3.31Å; H240-E242 PolarHBondContact O-N 3.43Å; E242-Y244 PolarHBondContact O-N 3.45Å; E242-Y244 VanDerWaalsContact O-N 3.1Å; E242-I245 WeakPolarHBondContact O-CA 3.2Å; E242-I245 VanDerWaalsContact O-CB 3.31Å; E242-I245 WeakPolarHBondContact O-CB 3.43Å; E242-I245 PolarHBondContact O-N 3.45Å; E242-I245 WeakPolarHBondContact OE2-CD1 3.11Å; E242-L246 HydrophobicContact CG-CD1 4.33Å; E242-L246 HydrophobicContact CG-CG 4.49Å; E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.28Å; E242-L246 PolarHBondContact O-N 2.81Å |
| 243 | V | 93 | Very high | 96.3 | Very high | 24 Ų | 24 | 12.4 Ų | 12.4 | 15% | 0.145 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -62.3 | -25.2 | 177.8 | -59 | 0 | 0 | 0 | 0 | 112.5 | G239 H240 P241 F377 | G239-V243 WeakPolarHBondContact O-CG1 3.12Å; G239-V243 PolarHBondContact O-N 3.43Å; H240-V243 WeakPolarHBondContact O-CG2 3.28Å; H240-V243 PolarHBondContact O-N 2.93Å; P241-V243 PolarHBondContact O-N 3.2Å; V243-F377 HydrophobicContact CB-CE2 4.11Å; V243-F377 HydrophobicContact CG1-CE2 3.43Å; V243-F377 VanDerWaalsContact CG1-CE2 3.43Å; V243-F377 HydrophobicContact CG1-CZ 3.82Å |
| 244 | Y | 92.8 | Very high | 96.3 | Very high | 33 Ų | 33 | 9.2 Ų | 9.2 | 13% | 0.129 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -80.6 | -35.8 | 171 | -63.5 | -44.6 | 0 | 0 | 0 | 113.9 | H240 P241 E242 L246 I247 R248 I280 I312 | H240-Y244 AromaticContact CD2-CE2 3.49Å; H240-Y244 VanDerWaalsContact CD2-CE2 3.49Å; H240-Y244 WeakPolarHBondContact CD2-CE2 3.21Å; H240-Y244 AromaticContact CE1-CE2 3.99Å; H240-Y244 AromaticContact CE1-CZ 3.81Å; H240-Y244 PolarHBondContact CE1-OH 3.41Å; H240-Y244 AromaticContact NE2-CE2 3Å; H240-Y244 WeakPolarHBondContact NE2-CE2 3.41Å; H240-Y244 AromaticContact NE2-CZ 3.15Å; H240-Y244 PolarHBondContact NE2-OH 3.39Å; P241-Y244 WeakPolarHBondContact O-CA 3.37Å; P241-Y244 WeakPolarHBondContact O-CB 3.24Å; P241-Y244 PolarHBondContact O-N 3.39Å; E242-Y244 PolarHBondContact O-N 3.45Å; E242-Y244 VanDerWaalsContact O-N 3.1Å; Y244-L246 PolarHBondContact O-N 3.01Å; Y244-I247 HydrophobicContact CD1-CG2 4.4Å; Y244-I247 PolarHBondContact O-N 3.19Å; Y244-I247 VanDerWaalsContact O-N 3.17Å; Y244-R248 WeakPolarHBondContact O-CB 3.29Å; Y244-R248 WeakPolarHBondContact O-CG 3.28Å; Y244-R248 PolarHBondContact O-N 3.43Å; Y244-I280 HydrophobicContact CD1-CG2 3.82Å; Y244-I280 HydrophobicContact CD2-CG2 4.1Å; Y244-I280 HydrophobicContact CE1-CG2 3.94Å; Y244-I280 HydrophobicContact CE2-CG2 4.18Å; Y244-I280 HydrophobicContact CG-CG2 3.94Å; Y244-I312 HydrophobicContact CE2-CD1 4.18Å; Y244-I312 WeakPolarHBondContact OH-CD1 3.26Å |
| 245 | I | 93.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.005 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -54.1 | -42 | 170.6 | -73.6 | 159.2 | 0 | 0 | 0 | 109.4 | M71 I75 T191 L194 L195 P241 E242 I247 P249 | M71-I245 HydrophobicContact SD-CG2 4.48Å; I75-I245 HydrophobicContact CD1-CG2 3.82Å; T191-I245 HydrophobicContact CG2-CB 4Å; T191-I245 HydrophobicContact CG2-CG1 4.08Å; T191-I245 HydrophobicContact CG2-CG2 3.63Å; L194-I245 HydrophobicContact CB-CD1 3.73Å; L194-I245 HydrophobicContact CB-CG1 3.66Å; L194-I245 HydrophobicContact CD1-CG1 4.11Å; L195-I245 HydrophobicContact CB-CD1 4.5Å; L195-I245 HydrophobicContact CD1-CG2 4.3Å; L195-I245 HydrophobicContact CD2-CD1 3.78Å; L195-I245 HydrophobicContact CD2-CG1 4.47Å; L195-I245 HydrophobicContact CD2-CG2 3.81Å; L195-I245 HydrophobicContact CG-CD1 3.83Å; L195-I245 HydrophobicContact CG-CG1 4.21Å; L195-I245 HydrophobicContact CG-CG2 3.92Å; P241-I245 WeakPolarHBondContact O-CG1 3.43Å; P241-I245 PolarHBondContact O-N 2.95Å; E242-I245 WeakPolarHBondContact O-CA 3.2Å; E242-I245 VanDerWaalsContact O-CB 3.31Å; E242-I245 WeakPolarHBondContact O-CB 3.43Å; E242-I245 PolarHBondContact O-N 3.45Å; E242-I245 WeakPolarHBondContact OE2-CD1 3.11Å; I245-I247 VanDerWaalsContact C-N 3.29Å; I245-I247 PolarHBondContact O-N 2.9Å; I245-P249 VanDerWaalsContact O-CD 3.25Å; I245-P249 WeakPolarHBondContact O-CD 3.35Å |
| 246 | L | 93 | Very high | 96 | Very high | 2 Ų | 2 | 8 Ų | 8 | 1% | 0.01 | 4% | 0.037 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -6.4 | 179.7 | -63.5 | 172.1 | 0 | 0 | 0 | 115.8 | I66 V70 M71 M74 E242 Y244 L381 A385 | I66-L246 HydrophobicContact CG1-CD1 4.35Å; I66-L246 HydrophobicContact CG2-CD1 3.77Å; I66-L246 HydrophobicContact CG2-CD2 4.12Å; V70-L246 HydrophobicContact CB-CD2 4.13Å; V70-L246 HydrophobicContact CG1-CB 4.3Å; V70-L246 HydrophobicContact CG1-CD2 3.72Å; M71-L246 HydrophobicContact CG-CD2 3.63Å; M74-L246 WeakPolarHBondContact CE-O 3.44Å; E242-L246 HydrophobicContact CG-CD1 4.33Å; E242-L246 HydrophobicContact CG-CG 4.49Å; E242-L246 VanDerWaalsContact O-CG 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.28Å; E242-L246 PolarHBondContact O-N 2.81Å; Y244-L246 PolarHBondContact O-N 3.01Å; L246-L381 HydrophobicContact CB-CD1 3.66Å; L246-L381 HydrophobicContact CD1-CD1 3.64Å; L246-L381 HydrophobicContact CG-CD1 4.22Å; L246-A385 VanDerWaalsContact O-CB 3.29Å; L246-A385 WeakPolarHBondContact O-CB 3.36Å |
| 247 | I | 95.4 | Very high | 95.9 | Very high | 4 Ų | 4 | 7.5 Ų | 7.5 | 2% | 0.021 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -23.6 | -177.8 | -165 | 61.4 | 0 | 0 | 0 | 113.8 | Y244 I245 G250 F251 F344 F348 G384 A385 | Y244-I247 HydrophobicContact CD1-CG2 4.4Å; Y244-I247 PolarHBondContact O-N 3.19Å; Y244-I247 VanDerWaalsContact O-N 3.17Å; I245-I247 VanDerWaalsContact C-N 3.29Å; I245-I247 PolarHBondContact O-N 2.9Å; I247-G250 CarbonylContact O-C 3.59Å; I247-G250 VanDerWaalsContact O-CA 3.27Å; I247-G250 WeakPolarHBondContact O-CA 3.3Å; I247-G250 PolarHBondContact O-N 2.86Å; I247-F251 HydrophobicContact CB-CZ 4.36Å; I247-F251 HydrophobicContact CD1-CE1 4.47Å; I247-F251 HydrophobicContact CG1-CD1 4.25Å; I247-F251 HydrophobicContact CG1-CE1 3.59Å; I247-F251 HydrophobicContact CG1-CE2 4.47Å; I247-F251 HydrophobicContact CG1-CZ 3.71Å; I247-F251 HydrophobicContact CG2-CE1 4.46Å; I247-F251 HydrophobicContact CG2-CE2 3.91Å; I247-F251 HydrophobicContact CG2-CZ 3.75Å; I247-F251 PolarHBondContact O-N 3.17Å; I247-F344 HydrophobicContact CD1-CE2 3.88Å; I247-F344 HydrophobicContact CD1-CZ 4.28Å; I247-F348 HydrophobicContact CD1-CD2 4.42Å; I247-F348 HydrophobicContact CD1-CE2 4.41Å; I247-F348 HydrophobicContact CG1-CD2 4.36Å; I247-F348 HydrophobicContact CG1-CE2 3.87Å; I247-G384 VanDerWaalsContact CD1-C 3.47Å; I247-A385 HydrophobicContact CD1-CB 4.36Å |
| 248 | R | 95.2 | Very high | 95.8 | Very high | 1 Ų | 1 | 4.9 Ų | 4.9 | 0% | 0.004 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -59.1 | -49.6 | -177.9 | -79.7 | 169.4 | -150.4 | -94.4 | -4.5 | 113.8 | S187 I190 T191 L194 Y244 G250 F251 G252 M277 I280 G281 | S187-R248 VanDerWaalsContact CB-O 3.28Å; S187-R248 WeakPolarHBondContact CB-O 3.41Å; I190-R248 VanDerWaalsContact CG2-NH1 3.3Å; T191-R248 WeakPolarHBondContact OG1-CB 3.25Å; L194-R248 VanDerWaalsContact CD1-NH2 3.28Å; Y244-R248 WeakPolarHBondContact O-CB 3.29Å; Y244-R248 WeakPolarHBondContact O-CG 3.28Å; Y244-R248 PolarHBondContact O-N 3.43Å; R248-G250 PolarHBondContact O-N 3.37Å; R248-F251 HydrophobicContact CG-CD2 4.35Å; R248-F251 WeakPolarHBondContact O-CA 3.45Å; R248-F251 VanDerWaalsContact O-CB 3.26Å; R248-F251 WeakPolarHBondContact O-CB 3.22Å; R248-F251 PolarHBondContact O-N 3.09Å; R248-G252 PolarHBondContact O-N 2.92Å; R248-G252 VanDerWaalsContact O-N 3.09Å; R248-M277 PolarHBondContact NH1-O 3.46Å; R248-I280 PolarHBondContact NH2-O 3.19Å; R248-G281 VanDerWaalsContact CZ-CA 3.48Å |
| 249 | P | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 5.6 Ų | 5.6 | 0% | 0 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -56.1 | -34.1 | 174.1 | -24.9 | 34.8 | 0 | 0 | 0 | 111.9 | M74 I75 F184 S187 T191 I245 F251 G252 M253 | M74-P249 HydrophobicContact CB-CB 4.05Å; M74-P249 HydrophobicContact CB-CG 4.29Å; M74-P249 HydrophobicContact CE-CB 4.06Å; M74-P249 HydrophobicContact CE-CG 4.07Å; M74-P249 HydrophobicContact SD-CB 4.08Å; I75-P249 HydrophobicContact CG1-CG 3.99Å; F184-P249 HydrophobicContact CE2-CB 4.12Å; S187-P249 WeakPolarHBondContact OG-CA 3.45Å; T191-P249 HydrophobicContact CG2-CG 4.42Å; I245-P249 VanDerWaalsContact O-CD 3.25Å; I245-P249 WeakPolarHBondContact O-CD 3.35Å; P249-F251 PolarHBondContact O-N 2.62Å; P249-G252 WeakPolarHBondContact O-CA 3.35Å; P249-G252 PolarHBondContact O-N 3.05Å; P249-G252 VanDerWaalsContact O-N 3.17Å; P249-M253 WeakPolarHBondContact O-CG 3.19Å; P249-M253 PolarHBondContact O-N 3.3Å |
| 250 | G | 97.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I247 R248 G252 M253 I254 A388 | I247-G250 CarbonylContact O-C 3.59Å; I247-G250 VanDerWaalsContact O-CA 3.27Å; I247-G250 WeakPolarHBondContact O-CA 3.3Å; I247-G250 PolarHBondContact O-N 2.86Å; R248-G250 PolarHBondContact O-N 3.37Å; G250-G252 VanDerWaalsContact C-N 3.29Å; G250-G252 PolarHBondContact O-N 2.69Å; G250-M253 PolarHBondContact O-N 3.4Å; G250-I254 VanDerWaalsContact O-CG1 3.28Å; G250-I254 WeakPolarHBondContact O-CG1 3.29Å; G250-I254 PolarHBondContact O-N 2.76Å; G250-A388 VanDerWaalsContact CA-CB 3.43Å |
| 251 | F | 97.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 9.5 Ų | 9.5 | 2% | 0.018 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -58.5 | -41.6 | 173.6 | -56.2 | -31.2 | 0 | 0 | 0 | 112.8 | I247 R248 P249 S255 K319 W323 F344 F348 | I247-F251 HydrophobicContact CB-CZ 4.36Å; I247-F251 HydrophobicContact CD1-CE1 4.47Å; I247-F251 HydrophobicContact CG1-CD1 4.25Å; I247-F251 HydrophobicContact CG1-CE1 3.59Å; I247-F251 HydrophobicContact CG1-CE2 4.47Å; I247-F251 HydrophobicContact CG1-CZ 3.71Å; I247-F251 HydrophobicContact CG2-CE1 4.46Å; I247-F251 HydrophobicContact CG2-CE2 3.91Å; I247-F251 HydrophobicContact CG2-CZ 3.75Å; I247-F251 PolarHBondContact O-N 3.17Å; R248-F251 HydrophobicContact CG-CD2 4.35Å; R248-F251 WeakPolarHBondContact O-CA 3.45Å; R248-F251 VanDerWaalsContact O-CB 3.26Å; R248-F251 WeakPolarHBondContact O-CB 3.22Å; R248-F251 PolarHBondContact O-N 3.09Å; P249-F251 PolarHBondContact O-N 2.62Å; F251-S255 WeakPolarHBondContact O-CB 3.4Å; F251-S255 PolarHBondContact O-N 3.04Å; F251-S255 PolarHBondContact O-OG 3.5Å; F251-K319 VanDerWaalsContact CE2-NZ 3.29Å; F251-K319 VanDerWaalsContact CG-CE 3.49Å; F251-W323 HydrophobicContact CB-CH2 4.32Å; F251-W323 HydrophobicContact CB-CZ2 4.01Å; F251-W323 AromaticContact CD1-CH2 3.57Å; F251-W323 HydrophobicContact CD1-CH2 3.57Å; F251-W323 HydrophobicContact CD1-CZ2 4.12Å; F251-W323 HydrophobicContact CE1-CH2 4.14Å; F251-W323 HydrophobicContact CG-CH2 4.21Å; F251-W323 HydrophobicContact CG-CZ2 4.39Å; F251-F344 HydrophobicContact CD1-CE1 4.24Å; F251-F344 AromaticContact CD1-CZ 3.7Å; F251-F344 HydrophobicContact CD1-CZ 3.7Å; F251-F344 HydrophobicContact CE1-CE1 4.48Å; F251-F344 AromaticContact CE1-CZ 3.81Å; F251-F344 HydrophobicContact CE1-CZ 3.81Å; F251-F348 HydrophobicContact CE1-CD1 4.45Å; F251-F348 HydrophobicContact CE1-CD2 4.36Å; F251-F348 AromaticContact CE1-CE1 3.87Å; F251-F348 HydrophobicContact CE1-CE1 3.87Å; F251-F348 AromaticContact CE1-CE2 3.76Å; F251-F348 HydrophobicContact CE1-CE2 3.76Å; F251-F348 AromaticContact CE1-CZ 3.5Å; F251-F348 HydrophobicContact CE1-CZ 3.5Å; F251-F348 HydrophobicContact CZ-CE1 4.1Å; F251-F348 AromaticContact CZ-CE2 3.88Å; F251-F348 HydrophobicContact CZ-CE2 3.88Å; F251-F348 AromaticContact CZ-CZ 3.44Å; F251-F348 HydrophobicContact CZ-CZ 3.44Å; F251-F348 VanDerWaalsContact CZ-CZ 3.44Å |
| 252 | G | 97.4 | Very high | 95 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -57.8 | -53.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | R248 P249 G250 I254 S255 H256 | R248-G252 PolarHBondContact O-N 2.92Å; R248-G252 VanDerWaalsContact O-N 3.09Å; P249-G252 WeakPolarHBondContact O-CA 3.35Å; P249-G252 PolarHBondContact O-N 3.05Å; P249-G252 VanDerWaalsContact O-N 3.17Å; G250-G252 VanDerWaalsContact C-N 3.29Å; G250-G252 PolarHBondContact O-N 2.69Å; G252-I254 PolarHBondContact O-N 3.05Å; G252-S255 WeakPolarHBondContact O-CB 3.44Å; G252-S255 PolarHBondContact O-N 3.13Å; G252-S255 VanDerWaalsContact O-N 3.17Å; G252-H256 PolarHBondContact O-CD2 3.17Å; G252-H256 VanDerWaalsContact O-CD2 3.3Å; G252-H256 PolarHBondContact O-N 3.48Å; G252-H256 VanDerWaalsContact O-N 3.08Å |
| 253 | M | 98.1 | Very high | 94.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -59.1 | -47.8 | -178.7 | -71.4 | -170.6 | -82.7 | 0 | 0 | 112.4 | M74 F78 F184 P249 G250 S255 H256 I257 A388 W396 | M74-M253 HydrophobicContact CG-CE 4.09Å; M74-M253 HydrophobicContact SD-CE 3.52Å; M74-M253 VanDerWaalsContact SD-CE 3.52Å; F78-M253 HydrophobicContact CB-SD 4.41Å; F78-M253 HydrophobicContact CD1-SD 4.06Å; F78-M253 HydrophobicContact CD2-CE 4.17Å; F78-M253 HydrophobicContact CD2-SD 3.68Å; F78-M253 HydrophobicContact CE1-SD 4.23Å; F78-M253 HydrophobicContact CE2-CE 4.44Å; F78-M253 HydrophobicContact CE2-SD 3.86Å; F78-M253 HydrophobicContact CG-SD 3.79Å; F78-M253 HydrophobicContact CZ-SD 4.14Å; F184-M253 HydrophobicContact CD2-CG 3.75Å; F184-M253 HydrophobicContact CE2-CG 3.65Å; F184-M253 HydrophobicContact CE2-SD 4.49Å; P249-M253 WeakPolarHBondContact O-CG 3.19Å; P249-M253 PolarHBondContact O-N 3.3Å; G250-M253 PolarHBondContact O-N 3.4Å; M253-S255 VanDerWaalsContact C-N 3.29Å; M253-S255 PolarHBondContact O-N 3.06Å; M253-H256 PolarHBondContact O-N 3.41Å; M253-I257 VanDerWaalsContact O-CG1 3.32Å; M253-I257 WeakPolarHBondContact O-CG1 3.18Å; M253-I257 PolarHBondContact O-N 3Å; M253-A388 HydrophobicContact CE-CB 4.24Å; M253-W396 HydrophobicContact CB-CH2 4.02Å; M253-W396 HydrophobicContact CB-CZ3 3.88Å; M253-W396 HydrophobicContact CG-CH2 3.94Å; M253-W396 HydrophobicContact CG-CZ3 3.61Å; M253-W396 HydrophobicContact SD-CZ3 3.96Å |
| 254 | I | 98.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.1 | -38.7 | 178.3 | -64.8 | -53.4 | 0 | 0 | 0 | 111.4 | G250 G252 H256 I257 V258 W323 A341 F344 I345 A388 | G250-I254 VanDerWaalsContact O-CG1 3.28Å; G250-I254 WeakPolarHBondContact O-CG1 3.29Å; G250-I254 PolarHBondContact O-N 2.76Å; G252-I254 PolarHBondContact O-N 3.05Å; I254-H256 VanDerWaalsContact C-N 3.34Å; I254-H256 PolarHBondContact O-N 2.87Å; I254-I257 HydrophobicContact CD1-CD1 4.34Å; I254-I257 PolarHBondContact O-N 3.35Å; I254-V258 HydrophobicContact CG2-CG2 4.08Å; I254-V258 VanDerWaalsContact O-CB 3.29Å; I254-V258 WeakPolarHBondContact O-CB 3.46Å; I254-V258 VanDerWaalsContact O-CG2 3.25Å; I254-V258 WeakPolarHBondContact O-CG2 3.34Å; I254-V258 PolarHBondContact O-N 2.66Å; I254-W323 HydrophobicContact CB-CZ2 4.45Å; I254-W323 HydrophobicContact CG2-CD2 4.17Å; I254-W323 HydrophobicContact CG2-CG 4.48Å; I254-W323 HydrophobicContact CG2-CZ2 4.29Å; I254-A341 HydrophobicContact CD1-CB 4.08Å; I254-A341 HydrophobicContact CG2-CB 4.43Å; I254-F344 HydrophobicContact CB-CD1 4.24Å; I254-F344 HydrophobicContact CB-CE1 4.37Å; I254-F344 HydrophobicContact CD1-CB 3.97Å; I254-F344 HydrophobicContact CD1-CD1 4.22Å; I254-F344 HydrophobicContact CD1-CD2 4.45Å; I254-F344 HydrophobicContact CD1-CG 3.96Å; I254-F344 HydrophobicContact CG1-CB 4.26Å; I254-F344 HydrophobicContact CG1-CD1 3.57Å; I254-F344 HydrophobicContact CG1-CD2 4.09Å; I254-F344 HydrophobicContact CG1-CE1 3.88Å; I254-F344 HydrophobicContact CG1-CE2 4.34Å; I254-F344 HydrophobicContact CG1-CG 3.7Å; I254-F344 HydrophobicContact CG1-CZ 4.27Å; I254-F344 HydrophobicContact CG2-CD1 3.96Å; I254-F344 HydrophobicContact CG2-CE1 4.32Å; I254-I345 HydrophobicContact CG2-CG1 4.33Å; I254-A388 HydrophobicContact CD1-CB 4.21Å; I254-A388 HydrophobicContact CG1-CB 4.11Å |
| 255 | S | 97.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 21.8 Ų | 21.8 | 1% | 0.014 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 177 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | F251 G252 M253 T259 M273 W323 | F251-S255 WeakPolarHBondContact O-CB 3.4Å; F251-S255 PolarHBondContact O-N 3.04Å; F251-S255 PolarHBondContact O-OG 3.5Å; G252-S255 WeakPolarHBondContact O-CB 3.44Å; G252-S255 PolarHBondContact O-N 3.13Å; G252-S255 VanDerWaalsContact O-N 3.17Å; M253-S255 VanDerWaalsContact C-N 3.29Å; M253-S255 PolarHBondContact O-N 3.06Å; S255-T259 VanDerWaalsContact O-CB 3.29Å; S255-T259 WeakPolarHBondContact O-CB 3.3Å; S255-T259 PolarHBondContact O-N 3.42Å; S255-T259 PolarHBondContact O-OG1 3.48Å; S255-M273 WeakPolarHBondContact OG-CE 2.8Å; S255-W323 PolarHBondContact OG-NE1 3.33Å |
| 256 | H | 95 | Very high | 93.9 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 8% | 0.083 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.6 | -48.9 | 174.5 | -84.6 | -103.4 | 0 | 0 | 0 | 111.8 | P182 F184 G252 M253 I254 V258 T259 Y260 W396 | P182-H256 WeakPolarHBondContact CB-CE1 3.27Å; P182-H256 VanDerWaalsContact CB-NE2 3.29Å; P182-H256 WeakPolarHBondContact CB-NE2 3.4Å; F184-H256 WeakPolarHBondContact CB-NE2 3.44Å; F184-H256 PolarHBondContact N-NE2 2.92Å; G252-H256 PolarHBondContact O-CD2 3.17Å; G252-H256 VanDerWaalsContact O-CD2 3.3Å; G252-H256 PolarHBondContact O-N 3.48Å; G252-H256 VanDerWaalsContact O-N 3.08Å; M253-H256 PolarHBondContact O-N 3.41Å; I254-H256 VanDerWaalsContact C-N 3.34Å; I254-H256 PolarHBondContact O-N 2.87Å; H256-V258 PolarHBondContact O-N 3.13Å; H256-T259 PolarHBondContact O-N 2.93Å; H256-Y260 VanDerWaalsContact O-CB 3.24Å; H256-Y260 WeakPolarHBondContact O-CB 3.44Å; H256-Y260 PolarHBondContact O-N 3.46Å; H256-W396 HydrophobicContact CB-CH2 4.02Å; H256-W396 HydrophobicContact CB-CZ2 3.91Å |
| 257 | I | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.9 | -49.3 | 179.9 | -64.9 | 164.1 | 0 | 0 | 0 | 110.6 | M253 I254 T259 Y260 Y261 A337 A341 H395 | M253-I257 VanDerWaalsContact O-CG1 3.32Å; M253-I257 WeakPolarHBondContact O-CG1 3.18Å; M253-I257 PolarHBondContact O-N 3Å; I254-I257 HydrophobicContact CD1-CD1 4.34Å; I254-I257 PolarHBondContact O-N 3.35Å; I257-T259 VanDerWaalsContact C-N 3.31Å; I257-T259 PolarHBondContact O-N 3.48Å; I257-Y260 PolarHBondContact O-N 3.03Å; I257-Y261 HydrophobicContact CG2-CD2 3.78Å; I257-Y261 HydrophobicContact CG2-CE2 4.05Å; I257-Y261 VanDerWaalsContact O-CD2 3.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.29Å; I257-Y261 PolarHBondContact O-N 3.2Å; I257-A337 HydrophobicContact CG2-CB 4.1Å; I257-A341 HydrophobicContact CG2-CB 3.91Å; I257-H395 HydrophobicContact CD1-CB 4.38Å; I257-H395 HydrophobicContact CG1-CB 4.03Å |
| 258 | V | 95.6 | Very high | 94 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.024 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.6 | -42.9 | 179.7 | 164.3 | 0 | 0 | 0 | 0 | 111.2 | I254 H256 S262 T326 L327 A341 I345 | I254-V258 HydrophobicContact CG2-CG2 4.08Å; I254-V258 VanDerWaalsContact O-CB 3.29Å; I254-V258 WeakPolarHBondContact O-CB 3.46Å; I254-V258 VanDerWaalsContact O-CG2 3.25Å; I254-V258 WeakPolarHBondContact O-CG2 3.34Å; I254-V258 PolarHBondContact O-N 2.66Å; H256-V258 PolarHBondContact O-N 3.13Å; V258-S262 WeakPolarHBondContact O-CB 3.48Å; V258-S262 PolarHBondContact O-N 3.29Å; V258-S262 VanDerWaalsContact O-N 3.15Å; V258-S262 PolarHBondContact O-OG 3.07Å; V258-T326 HydrophobicContact CG1-CG2 3.7Å; V258-L327 HydrophobicContact CB-CD2 4.45Å; V258-L327 HydrophobicContact CG1-CD1 4.45Å; V258-L327 HydrophobicContact CG1-CD2 3.79Å; V258-L327 HydrophobicContact CG1-CG 3.76Å; V258-L327 HydrophobicContact CG2-CD2 4.33Å; V258-A341 HydrophobicContact CG2-CB 4.16Å; V258-I345 HydrophobicContact CG2-CD1 4.28Å |
| 259 | T | 93.2 | Very high | 94 | Very high | 15 Ų | 15 | 35.1 Ų | 35.1 | 9% | 0.092 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.6 | -48.3 | -179.9 | -56 | 0 | 0 | 0 | 0 | 111.2 | S255 H256 I257 Y261 S262 G263 K264 | S255-T259 VanDerWaalsContact O-CB 3.29Å; S255-T259 WeakPolarHBondContact O-CB 3.3Å; S255-T259 PolarHBondContact O-N 3.42Å; S255-T259 PolarHBondContact O-OG1 3.48Å; H256-T259 PolarHBondContact O-N 2.93Å; I257-T259 VanDerWaalsContact C-N 3.31Å; I257-T259 PolarHBondContact O-N 3.48Å; T259-Y261 PolarHBondContact O-N 2.96Å; T259-S262 PolarHBondContact O-N 3.38Å; T259-G263 PolarHBondContact O-N 3.48Å; T259-K264 WeakPolarHBondContact CG2-O 3.35Å; T259-K264 PolarHBondContact O-N 2.96Å |
| 260 | Y | 92.1 | Very high | 93.9 | Very high | 42 Ų | 42 | 36.6 Ų | 36.6 | 17% | 0.165 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.4 | -53.9 | -179.8 | -175.6 | -91.5 | 0 | 0 | 0 | 111.7 | H256 I257 S262 G263 H395 E486 | H256-Y260 VanDerWaalsContact O-CB 3.24Å; H256-Y260 WeakPolarHBondContact O-CB 3.44Å; H256-Y260 PolarHBondContact O-N 3.46Å; I257-Y260 PolarHBondContact O-N 3.03Å; Y260-S262 VanDerWaalsContact C-N 3.3Å; Y260-S262 PolarHBondContact O-N 3.19Å; Y260-G263 PolarHBondContact O-N 3.49Å; Y260-H395 AromaticContact CD1-CE1 3.64Å; Y260-H395 AromaticContact CE1-CE1 3.98Å; Y260-H395 AromaticContact CG-CE1 3.66Å; Y260-E486 WeakPolarHBondContact CE2-O 3.29Å; Y260-E486 PolarHBondContact OH-O 3.1Å |
| 261 | Y | 92.1 | Very high | 93.9 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 19% | 0.188 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -77.7 | -12.9 | -177.4 | -72.6 | -78 | 0 | 0 | 0 | 114.2 | I257 T259 G263 S335 A337 V338 H395 | I257-Y261 HydrophobicContact CG2-CD2 3.78Å; I257-Y261 HydrophobicContact CG2-CE2 4.05Å; I257-Y261 VanDerWaalsContact O-CD2 3.31Å; I257-Y261 WeakPolarHBondContact O-CD2 3.29Å; I257-Y261 PolarHBondContact O-N 3.2Å; T259-Y261 PolarHBondContact O-N 2.96Å; Y261-G263 VanDerWaalsContact C-N 3.33Å; Y261-S335 WeakPolarHBondContact CD1-OG 3.33Å; Y261-S335 WeakPolarHBondContact CE1-OG 3.42Å; Y261-A337 HydrophobicContact CD2-CB 4.39Å; Y261-A337 HydrophobicContact CE2-CB 3.53Å; Y261-V338 HydrophobicContact CD1-CG2 3.94Å; Y261-V338 HydrophobicContact CD2-CG2 3.76Å; Y261-V338 HydrophobicContact CG-CG2 3.39Å; Y261-H395 AromaticContact CE2-ND1 3.76Å |
| 262 | S | 91.4 | Very high | 93.8 | Very high | 12 Ų | 12 | 41.7 Ų | 41.7 | 8% | 0.084 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -83.3 | -10.2 | 170.2 | -62.9 | 0 | 0 | 0 | 0 | 113 | V258 T259 Y260 K264 S330 | V258-S262 WeakPolarHBondContact O-CB 3.48Å; V258-S262 PolarHBondContact O-N 3.29Å; V258-S262 VanDerWaalsContact O-N 3.15Å; V258-S262 PolarHBondContact O-OG 3.07Å; T259-S262 PolarHBondContact O-N 3.38Å; Y260-S262 VanDerWaalsContact C-N 3.3Å; Y260-S262 PolarHBondContact O-N 3.19Å; S262-K264 PolarHBondContact O-N 3.18Å; S262-S330 WeakPolarHBondContact O-CB 3.3Å |
| 263 | G | 88 | Confident | 93.8 | Very high | 60 Ų | 60 | 41.8 Ų | 41.8 | 62% | 0.619 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 18.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | T259 Y260 Y261 | T259-G263 PolarHBondContact O-N 3.48Å; Y260-G263 PolarHBondContact O-N 3.49Å; Y261-G263 VanDerWaalsContact C-N 3.33Å |
| 264 | K | 88.1 | Confident | 93.8 | Very high | 69 Ų | 69 | 41.8 Ų | 41.8 | 30% | 0.3 | 23% | 0.226 | S | C | . | . | trans | -89.7 | 147 | 177.7 | -68.6 | -176.1 | 178.8 | 172.9 | 0 | 109 | T259 S262 E266 A325 T326 H328 | T259-K264 WeakPolarHBondContact CG2-O 3.35Å; T259-K264 PolarHBondContact O-N 2.96Å; S262-K264 PolarHBondContact O-N 3.18Å; K264-E266 VanDerWaalsContact C-N 3.33Å; K264-A325 PolarHBondContact NZ-O 2.82Å; K264-T326 HydrophobicContact CD-CG2 4.09Å; K264-T326 WeakPolarHBondContact CD-O 3.35Å; K264-T326 WeakPolarHBondContact CE-O 3.46Å; K264-T326 PolarHBondContact NZ-O 2.87Å; K264-H328 PolarHBondContact NZ-O 3.26Å | ||
| 265 | K | 86 | Confident | 93.8 | Very high | 176 Ų | 176 | 48.1 Ų | 48.1 | 77% | 0.765 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -68.8 | -34.7 | 178.4 | -65.4 | -175.3 | 177.3 | -176.2 | 0 | 112.6 | M490 | K265-M490 HydrophobicContact CB-SD 4.3Å; K265-M490 HydrophobicContact CG-CE 3.85Å; K265-M490 HydrophobicContact CG-SD 3.79Å |
| 266 | E | 89.3 | Confident | 93.8 | Very high | 124 Ų | 124 | 48.3 Ų | 48.3 | 58% | 0.579 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -144.3 | 154.9 | -178.4 | 62.5 | 178.9 | 171 | 0 | 0 | 110 | K264 | K264-E266 VanDerWaalsContact C-N 3.33Š|
| 267 | P | 93.1 | Very high | 93.9 | Very high | 11 Ų | 11 | 47.6 Ų | 47.6 | 7% | 0.071 | 25% | 0.249 | C | C | . | . | trans | -68.5 | 149.9 | 171 | 27.3 | -31.8 | 0 | 0 | 0 | 110.8 | L183 G269 Y270 M273 T326 | L183-P267 HydrophobicContact CD1-CB 4.4Å; L183-P267 HydrophobicContact CD1-CG 3.48Å; L183-P267 VanDerWaalsContact CD1-CG 3.48Å; L183-P267 HydrophobicContact CG-CG 4.41Å; P267-G269 PolarHBondContact O-N 2.55Å; P267-Y270 HydrophobicContact CG-CD2 4.4Å; P267-Y270 PolarHBondContact O-N 3.15Å; P267-M273 HydrophobicContact CB-SD 3.7Å; P267-M273 HydrophobicContact CG-SD 3.84Å; P267-T326 HydrophobicContact CB-CG2 4.42Å | ||
| 268 | F | 96.2 | Very high | 94 | Very high | 112 Ų | 112 | 50 Ų | 50 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 122.3 | 177.5 | 175.7 | -90.5 | 0 | 0 | 0 | 110.8 | F321 S322 A325 T326 | F268-F321 HydrophobicContact CD1-CE1 4.38Å; F268-F321 HydrophobicContact CE1-CD1 4.32Å; F268-F321 AromaticContact CE1-CE1 3.72Å; F268-F321 HydrophobicContact CE1-CE1 3.72Å; F268-F321 HydrophobicContact CZ-CE1 4.4Å; F268-S322 WeakPolarHBondContact O-CB 3.44Å; F268-S322 PolarHBondContact O-OG 3.4Å; F268-A325 HydrophobicContact CB-CB 3.84Å; F268-A325 HydrophobicContact CD1-CB 3.58Å; F268-A325 HydrophobicContact CD2-CB 4.16Å; F268-A325 HydrophobicContact CE1-CB 4.18Å; F268-A325 HydrophobicContact CG-CB 3.56Å; F268-T326 PolarHBondContact N-OG1 2.87Å |
| 269 | G | 95.4 | Very high | 94.1 | Very high | 41 Ų | 41 | 52.3 Ų | 52.3 | 42% | 0.423 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 44.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | P267 M271 G272 M273 | P267-G269 PolarHBondContact O-N 2.55Å; G269-M271 VanDerWaalsContact C-N 3.26Å; G269-M271 PolarHBondContact O-N 3.48Å; G269-M271 VanDerWaalsContact O-N 3.16Å; G269-G272 VanDerWaalsContact O-CA 3.32Å; G269-G272 WeakPolarHBondContact O-CA 3.25Å; G269-G272 PolarHBondContact O-N 3.47Å; G269-M273 PolarHBondContact O-N 3.31Å |
| 270 | Y | 95.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 51.6 Ų | 51.6 | 12% | 0.122 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -41.8 | -49.5 | 177 | 166.6 | -90.7 | 0 | 0 | 0 | 113.3 | Y179 T181 L183 W186 P267 G272 M273 V274 | Y179-Y270 WeakPolarHBondContact O-CE1 3.41Å; Y179-Y270 PolarHBondContact O-OH 3.48Å; T181-Y270 PolarHBondContact O-OH 2.9Å; L183-Y270 HydrophobicContact CD1-CD2 4.31Å; L183-Y270 HydrophobicContact CD2-CD2 3.65Å; L183-Y270 HydrophobicContact CD2-CE2 3.49Å; L183-Y270 VanDerWaalsContact CD2-CE2 3.49Å; L183-Y270 HydrophobicContact CG-CD2 3.78Å; L183-Y270 HydrophobicContact CG-CE2 3.76Å; W186-Y270 PolarHBondContact NE1-OH 3.32Å; W186-Y270 VanDerWaalsContact NE1-OH 3.07Å; P267-Y270 HydrophobicContact CG-CD2 4.4Å; P267-Y270 PolarHBondContact O-N 3.15Å; Y270-G272 VanDerWaalsContact C-N 3.33Å; Y270-G272 PolarHBondContact O-N 2.83Å; Y270-M273 WeakPolarHBondContact O-CB 3.46Å; Y270-M273 PolarHBondContact O-N 3.45Å; Y270-M273 VanDerWaalsContact O-N 3.08Å; Y270-V274 HydrophobicContact CD1-CG2 4.49Å; Y270-V274 HydrophobicContact CE1-CG2 3.92Å; Y270-V274 HydrophobicContact CE2-CG2 4.13Å; Y270-V274 PolarHBondContact O-N 3.41Å |
| 271 | M | 96.4 | Very high | 94.4 | Very high | 78 Ų | 78 | 49.9 Ų | 49.9 | 38% | 0.384 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 177.2 | -73 | -59.2 | -74.6 | 0 | 0 | 112.7 | Y179 G269 M273 V274 W275 | Y179-M271 HydrophobicContact CD1-CE 3.48Å; Y179-M271 VanDerWaalsContact CD1-CE 3.48Å; Y179-M271 HydrophobicContact CD1-SD 3.75Å; Y179-M271 HydrophobicContact CE1-CE 3.65Å; Y179-M271 HydrophobicContact CE1-SD 4.45Å; Y179-M271 HydrophobicContact CG-CE 4.08Å; Y179-M271 HydrophobicContact CG-SD 4.26Å; G269-M271 VanDerWaalsContact C-N 3.26Å; G269-M271 PolarHBondContact O-N 3.48Å; G269-M271 VanDerWaalsContact O-N 3.16Å; M271-M273 VanDerWaalsContact C-N 3.27Å; M271-M273 PolarHBondContact O-N 3.16Å; M271-V274 PolarHBondContact O-N 2.77Å; M271-W275 PolarHBondContact O-N 3.4Å |
| 272 | G | 96.9 | Very high | 94.6 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 34% | 0.34 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -36.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | G269 Y270 A276 | G269-G272 VanDerWaalsContact O-CA 3.32Å; G269-G272 WeakPolarHBondContact O-CA 3.25Å; G269-G272 PolarHBondContact O-N 3.47Å; Y270-G272 VanDerWaalsContact C-N 3.33Å; Y270-G272 PolarHBondContact O-N 2.83Å; G272-A276 WeakPolarHBondContact O-CB 3.28Å; G272-A276 PolarHBondContact O-N 3.26Å |
| 273 | M | 97.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 174.5 | -59.6 | -175.6 | 80.5 | 0 | 0 | 112.4 | L183 S255 P267 G269 Y270 M271 A276 M277 S322 W323 | L183-M273 HydrophobicContact CD1-CB 4.05Å; L183-M273 HydrophobicContact CD1-CE 3.71Å; L183-M273 HydrophobicContact CD1-CG 4.37Å; L183-M273 HydrophobicContact CD1-SD 3.34Å; L183-M273 WeakPolarHBondContact CD1-SD 3.38Å; L183-M273 HydrophobicContact CD2-CB 4.01Å; S255-M273 WeakPolarHBondContact OG-CE 2.8Å; P267-M273 HydrophobicContact CB-SD 3.7Å; P267-M273 HydrophobicContact CG-SD 3.84Å; G269-M273 PolarHBondContact O-N 3.31Å; Y270-M273 WeakPolarHBondContact O-CB 3.46Å; Y270-M273 PolarHBondContact O-N 3.45Å; Y270-M273 VanDerWaalsContact O-N 3.08Å; M271-M273 VanDerWaalsContact C-N 3.27Å; M271-M273 PolarHBondContact O-N 3.16Å; M273-A276 PolarHBondContact O-N 3.24Å; M273-M277 WeakPolarHBondContact O-CG 3.38Å; M273-M277 PolarHBondContact O-N 2.98Å; M273-S322 WeakPolarHBondContact CG-OG 3.01Å; M273-S322 PolarHBondContact SD-OG 2.74Å; M273-W323 VanDerWaalsContact CE-NE1 3.33Å |
| 274 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.9 | -51 | 175.7 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | L183 W186 Y270 M271 A276 M277 M278 | L183-V274 HydrophobicContact CD2-CG2 3.64Å; W186-V274 HydrophobicContact CD2-CG1 3.88Å; W186-V274 HydrophobicContact CD2-CG2 4.43Å; W186-V274 HydrophobicContact CE3-CG1 4.2Å; W186-V274 HydrophobicContact CG-CG1 4.39Å; W186-V274 HydrophobicContact CG-CG2 4.16Å; W186-V274 HydrophobicContact CH2-CG1 4.1Å; W186-V274 HydrophobicContact CZ2-CG1 3.78Å; W186-V274 HydrophobicContact CZ3-CG1 4.32Å; Y270-V274 HydrophobicContact CD1-CG2 4.49Å; Y270-V274 HydrophobicContact CE1-CG2 3.92Å; Y270-V274 HydrophobicContact CE2-CG2 4.13Å; Y270-V274 PolarHBondContact O-N 3.41Å; M271-V274 PolarHBondContact O-N 2.77Å; V274-A276 PolarHBondContact O-N 3.02Å; V274-M277 PolarHBondContact O-N 3.46Å; V274-M278 HydrophobicContact CG1-CE 3.97Å; V274-M278 PolarHBondContact O-N 3.17Å |
| 275 | W | 97.8 | Very high | 95.4 | Very high | 133 Ų | 133 | 50.6 Ų | 50.6 | 50% | 0.504 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.2 | -73 | 111.6 | 0 | 0 | 0 | 112.3 | Y179 M271 M277 M278 S279 | Y179-W275 HydrophobicContact CE1-CZ2 4.49Å; M271-W275 PolarHBondContact O-N 3.4Å; W275-M277 VanDerWaalsContact C-N 3.35Å; W275-M277 PolarHBondContact O-N 3.15Å; W275-M278 HydrophobicContact CD2-CE 3.52Å; W275-M278 HydrophobicContact CE3-CE 3.14Å; W275-M278 HydrophobicContact CG-CE 4.24Å; W275-M278 HydrophobicContact CH2-CE 3.79Å; W275-M278 HydrophobicContact CZ2-CE 4.15Å; W275-M278 HydrophobicContact CZ3-CE 3.28Å; W275-M278 PolarHBondContact O-N 2.89Å; W275-S279 WeakPolarHBondContact O-CB 3.49Å; W275-S279 PolarHBondContact O-N 3.19Å; W275-S279 PolarHBondContact O-OG 2.76Å; W275-S279 VanDerWaalsContact O-OG 3.05Å |
| 276 | A | 97.6 | Very high | 95.9 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 5% | 0.05 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G272 M273 V274 S279 I280 P315 V318 K319 | G272-A276 WeakPolarHBondContact O-CB 3.28Å; G272-A276 PolarHBondContact O-N 3.26Å; M273-A276 PolarHBondContact O-N 3.24Å; V274-A276 PolarHBondContact O-N 3.02Å; A276-S279 PolarHBondContact O-N 2.95Å; A276-I280 WeakPolarHBondContact O-CD1 3.5Å; A276-I280 VanDerWaalsContact O-CG1 3.26Å; A276-I280 WeakPolarHBondContact O-CG1 3.38Å; A276-I280 PolarHBondContact O-N 3.22Å; A276-P315 HydrophobicContact CB-CB 3.85Å; A276-P315 WeakPolarHBondContact CB-O 3.25Å; A276-V318 HydrophobicContact CB-CB 4.43Å; A276-V318 HydrophobicContact CB-CG1 4.32Å; A276-K319 HydrophobicContact CB-CD 3.99Å; A276-K319 HydrophobicContact CB-CG 3.8Å |
| 277 | M | 97.3 | Very high | 96.3 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.5 | -41.2 | 176 | -71.1 | -172.4 | -67.1 | 0 | 0 | 112.1 | L183 W186 I190 R248 M273 V274 W275 G281 K319 | L183-M277 HydrophobicContact CB-CE 4.4Å; L183-M277 HydrophobicContact CD2-CE 3.7Å; W186-M277 HydrophobicContact CB-CE 3.81Å; I190-M277 HydrophobicContact CD1-CB 3.59Å; R248-M277 PolarHBondContact NH1-O 3.46Å; M273-M277 WeakPolarHBondContact O-CG 3.38Å; M273-M277 PolarHBondContact O-N 2.98Å; V274-M277 PolarHBondContact O-N 3.46Å; W275-M277 VanDerWaalsContact C-N 3.35Å; W275-M277 PolarHBondContact O-N 3.15Å; M277-G281 PolarHBondContact O-N 2.92Å; M277-K319 HydrophobicContact CG-CD 4.05Å |
| 278 | M | 97.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 25% | 0.251 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -66.1 | -41.8 | 176.3 | -70 | -170.2 | -59.9 | 0 | 0 | 111.9 | W186 I190 V274 W275 G281 F282 | W186-M278 HydrophobicContact CZ3-SD 4.11Å; I190-M278 HydrophobicContact CD1-CG 3.78Å; I190-M278 HydrophobicContact CG1-CG 4.33Å; V274-M278 HydrophobicContact CG1-CE 3.97Å; V274-M278 PolarHBondContact O-N 3.17Å; W275-M278 HydrophobicContact CD2-CE 3.52Å; W275-M278 HydrophobicContact CE3-CE 3.14Å; W275-M278 HydrophobicContact CG-CE 4.24Å; W275-M278 HydrophobicContact CH2-CE 3.79Å; W275-M278 HydrophobicContact CZ2-CE 4.15Å; W275-M278 HydrophobicContact CZ3-CE 3.28Å; W275-M278 PolarHBondContact O-N 2.89Å; M278-G281 CarbonylContact O-C 3.56Å; M278-G281 VanDerWaalsContact O-CA 3.23Å; M278-G281 WeakPolarHBondContact O-CA 2.89Å; M278-G281 PolarHBondContact O-N 3.08Å; M278-F282 PolarHBondContact O-N 3.49Å |
| 279 | S | 97.4 | Very high | 96.5 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 175.5 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | W275 A276 G281 F282 L283 | W275-S279 WeakPolarHBondContact O-CB 3.49Å; W275-S279 PolarHBondContact O-N 3.19Å; W275-S279 PolarHBondContact O-OG 2.76Å; W275-S279 VanDerWaalsContact O-OG 3.05Å; A276-S279 PolarHBondContact O-N 2.95Å; S279-G281 PolarHBondContact O-N 3.36Å; S279-F282 PolarHBondContact O-N 3.49Å; S279-L283 VanDerWaalsContact O-CB 3.3Å; S279-L283 WeakPolarHBondContact O-CB 3.4Å; S279-L283 WeakPolarHBondContact O-CG 3.46Å; S279-L283 PolarHBondContact O-N 3.27Å |
| 280 | I | 96 | Very high | 96.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -31.2 | 173.5 | -61.1 | 162.6 | 0 | 0 | 0 | 110.1 | Y244 R248 A276 G284 I312 P315 K319 | Y244-I280 HydrophobicContact CD1-CG2 3.82Å; Y244-I280 HydrophobicContact CD2-CG2 4.1Å; Y244-I280 HydrophobicContact CE1-CG2 3.94Å; Y244-I280 HydrophobicContact CE2-CG2 4.18Å; Y244-I280 HydrophobicContact CG-CG2 3.94Å; R248-I280 PolarHBondContact NH2-O 3.19Å; A276-I280 WeakPolarHBondContact O-CD1 3.5Å; A276-I280 VanDerWaalsContact O-CG1 3.26Å; A276-I280 WeakPolarHBondContact O-CG1 3.38Å; A276-I280 PolarHBondContact O-N 3.22Å; I280-G284 PolarHBondContact O-N 2.8Å; I280-G284 VanDerWaalsContact O-N 3.13Å; I280-I312 HydrophobicContact CG1-CG2 4.41Å; I280-I312 HydrophobicContact CG2-CG2 4.47Å; I280-P315 HydrophobicContact CD1-CB 4.21Å; I280-P315 HydrophobicContact CD1-CG 4.38Å; I280-P315 HydrophobicContact CG1-CB 3.88Å; I280-P315 HydrophobicContact CG1-CG 3.67Å; I280-K319 HydrophobicContact CD1-CD 4.16Å |
| 281 | G | 95.1 | Very high | 96.7 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.4 | -60.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R248 M277 M278 S279 G284 | R248-G281 VanDerWaalsContact CZ-CA 3.48Å; M277-G281 PolarHBondContact O-N 2.92Å; M278-G281 CarbonylContact O-C 3.56Å; M278-G281 VanDerWaalsContact O-CA 3.23Å; M278-G281 WeakPolarHBondContact O-CA 2.89Å; M278-G281 PolarHBondContact O-N 3.08Å; S279-G281 PolarHBondContact O-N 3.36Å; G281-G284 PolarHBondContact O-N 3Å |
| 282 | F | 96.6 | Very high | 96.7 | Very high | 143 Ų | 143 | 31.6 Ų | 31.6 | 63% | 0.627 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -64.3 | -48.7 | -179.7 | 177.9 | -100.1 | 0 | 0 | 0 | 112.4 | M278 S279 G284 F285 I286 | M278-F282 PolarHBondContact O-N 3.49Å; S279-F282 PolarHBondContact O-N 3.49Å; F282-G284 PolarHBondContact O-N 3.28Å; F282-G284 VanDerWaalsContact O-N 3.17Å; F282-F285 PolarHBondContact O-N 2.97Å; F282-F285 VanDerWaalsContact O-N 3.13Å; F282-I286 HydrophobicContact CE1-CD1 4.2Å |
| 283 | L | 94.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 30.2 Ų | 30.2 | 13% | 0.131 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -29.5 | -177.9 | -69 | 174.1 | 0 | 0 | 0 | 112.1 | S279 F285 I286 V287 I311 I312 P315 | S279-L283 VanDerWaalsContact O-CB 3.3Å; S279-L283 WeakPolarHBondContact O-CB 3.4Å; S279-L283 WeakPolarHBondContact O-CG 3.46Å; S279-L283 PolarHBondContact O-N 3.27Å; L283-F285 PolarHBondContact O-N 3.48Å; L283-I286 HydrophobicContact CD2-CD1 3.77Å; L283-I286 HydrophobicContact CD2-CG1 4.26Å; L283-I286 WeakPolarHBondContact O-CG1 3.35Å; L283-I286 PolarHBondContact O-N 3.46Å; L283-V287 WeakPolarHBondContact O-CG1 3.4Å; L283-V287 WeakPolarHBondContact O-CG2 3.46Å; L283-I311 HydrophobicContact CD1-CG2 4Å; L283-I312 HydrophobicContact CB-CD1 3.97Å; L283-I312 HydrophobicContact CB-CG1 3.8Å; L283-I312 HydrophobicContact CD1-CG1 3.87Å; L283-I312 HydrophobicContact CG-CG1 4.43Å; L283-P315 HydrophobicContact CD1-CG 4.42Å |
| 284 | G | 93.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -25.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115 | H240 P241 I280 G281 F282 | H240-G284 PolarHBondContact CD2-O 2.84Å; P241-G284 WeakPolarHBondContact CD-O 3.05Å; I280-G284 PolarHBondContact O-N 2.8Å; I280-G284 VanDerWaalsContact O-N 3.13Å; G281-G284 PolarHBondContact O-N 3Å; F282-G284 PolarHBondContact O-N 3.28Å; F282-G284 VanDerWaalsContact O-N 3.17Å |
| 285 | F | 96.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 16% | 0.158 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -7.1 | 176.4 | -75.5 | -66.3 | 0 | 0 | 0 | 114.6 | L194 L197 F237 P241 F282 L283 W288 | L194-F285 HydrophobicContact CD2-CD2 4.01Å; L194-F285 HydrophobicContact CD2-CE2 3.22Å; L194-F285 HydrophobicContact CD2-CZ 3.73Å; L197-F285 HydrophobicContact CB-CE1 4.36Å; L197-F285 HydrophobicContact CB-CE2 4.35Å; L197-F285 HydrophobicContact CB-CZ 3.67Å; L197-F285 HydrophobicContact CD1-CE2 4.16Å; L197-F285 HydrophobicContact CD1-CZ 4.31Å; F237-F285 HydrophobicContact CE1-CD1 4.02Å; F237-F285 HydrophobicContact CE1-CE1 4.14Å; F237-F285 HydrophobicContact CE2-CD1 4.38Å; F237-F285 AromaticContact CZ-CD1 3.79Å; F237-F285 HydrophobicContact CZ-CD1 3.79Å; F237-F285 HydrophobicContact CZ-CE1 4.32Å; P241-F285 HydrophobicContact CB-CE1 4.16Å; P241-F285 HydrophobicContact CB-CZ 4.44Å; P241-F285 HydrophobicContact CG-CD1 3.68Å; P241-F285 HydrophobicContact CG-CE1 3.67Å; P241-F285 HydrophobicContact CG-CG 4.35Å; P241-F285 HydrophobicContact CG-CZ 4.36Å; F282-F285 PolarHBondContact O-N 2.97Å; F282-F285 VanDerWaalsContact O-N 3.13Å; L283-F285 PolarHBondContact O-N 3.48Å; F285-W288 WeakPolarHBondContact O-CZ3 3.31Å |
| 286 | I | 96.6 | Very high | 96.4 | Very high | 46 Ų | 46 | 31.9 Ų | 31.9 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -119.3 | 12.4 | -174.6 | 67.6 | 168.5 | 0 | 0 | 0 | 113.6 | F282 L283 F305 | F282-I286 HydrophobicContact CE1-CD1 4.2Å; L283-I286 HydrophobicContact CD2-CD1 3.77Å; L283-I286 HydrophobicContact CD2-CG1 4.26Å; L283-I286 WeakPolarHBondContact O-CG1 3.35Å; L283-I286 PolarHBondContact O-N 3.46Å; I286-F305 WeakPolarHBondContact O-CE1 3.38Å |
| 287 | V | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -124.5 | -0.2 | -177.3 | -59.7 | 0 | 0 | 0 | 0 | 114.4 | H240 L283 A289 H290 A308 I312 | H240-V287 WeakPolarHBondContact CD2-CG2 3.48Å; H240-V287 WeakPolarHBondContact NE2-CG2 3.39Å; L283-V287 WeakPolarHBondContact O-CG1 3.4Å; L283-V287 WeakPolarHBondContact O-CG2 3.46Å; V287-A289 PolarHBondContact O-N 3Å; V287-H290 PolarHBondContact O-CE1 2.94Å; V287-H290 PolarHBondContact O-N 3.48Å; V287-H290 PolarHBondContact O-ND1 2.85Å; V287-A308 HydrophobicContact CG1-CB 3.83Å; V287-I312 HydrophobicContact CB-CD1 4.29Å; V287-I312 HydrophobicContact CG1-CD1 3.83Å; V287-I312 HydrophobicContact CG2-CD1 3.69Å | ||
| 288 | W | 97.6 | Very high | 96.2 | Very high | 60 Ų | 60 | 36.6 Ų | 36.6 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -54.4 | -32.3 | -167.3 | 71.7 | 97 | 0 | 0 | 0 | 115.3 | H233 W236 F237 H240 F285 H290 H291 F305 | H233-W288 AromaticContact ND1-NE1 3.58Å; W236-W288 HydrophobicContact CB-CB 4.19Å; W236-W288 VanDerWaalsContact O-CB 3.25Å; W236-W288 WeakPolarHBondContact O-CB 3.41Å; F237-W288 HydrophobicContact CB-CG 4.43Å; F237-W288 HydrophobicContact CD2-CD2 4.16Å; F237-W288 HydrophobicContact CD2-CE3 4.12Å; F237-W288 HydrophobicContact CD2-CZ3 4.35Å; H240-W288 HydrophobicContact CB-CB 4.09Å; F285-W288 WeakPolarHBondContact O-CZ3 3.31Å; W288-H290 PolarHBondContact O-N 3.23Å; W288-H291 PolarHBondContact O-CD2 3.35Å; W288-H291 PolarHBondContact O-N 3.33Å; W288-F305 HydrophobicContact CD2-CE1 4.28Å; W288-F305 HydrophobicContact CD2-CZ 4.41Å; W288-F305 HydrophobicContact CE3-CE1 4.15Å; W288-F305 HydrophobicContact CE3-CZ 4.42Å; W288-F305 HydrophobicContact CH2-CZ 4.14Å; W288-F305 HydrophobicContact CZ2-CZ 4.13Å; W288-F305 HydrophobicContact CZ3-CE1 4.33Å; W288-F305 HydrophobicContact CZ3-CZ 4.29Å |
| 289 | A | 96.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.008 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -75.1 | -1.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | V287 H291 M292 M297 F305 | V287-A289 PolarHBondContact O-N 3Å; A289-H291 PolarHBondContact O-N 3.02Å; A289-M292 WeakPolarHBondContact O-CA 3.11Å; A289-M292 WeakPolarHBondContact O-CB 3.49Å; A289-M292 PolarHBondContact O-N 2.87Å; A289-M297 HydrophobicContact CB-CE 4.06Å; A289-M297 HydrophobicContact CB-SD 3.94Å; A289-M297 VanDerWaalsContact O-CE 3.25Å; A289-M297 WeakPolarHBondContact O-CE 3.4Å; A289-F305 HydrophobicContact CB-CD1 3.82Å; A289-F305 HydrophobicContact CB-CD2 3.64Å; A289-F305 HydrophobicContact CB-CE1 3.64Å; A289-F305 HydrophobicContact CB-CE2 3.45Å; A289-F305 VanDerWaalsContact CB-CE2 3.45Å; A289-F305 HydrophobicContact CB-CG 3.83Å; A289-F305 HydrophobicContact CB-CZ 3.45Å; A289-F305 VanDerWaalsContact CB-CZ 3.45Å |
| 290 | H | 97.3 | Very high | 96.1 | Very high | 24 Ų | 24 | 42.6 Ų | 42.6 | 11% | 0.111 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -63 | -21 | 168.4 | 62.4 | -116.4 | 0 | 0 | 0 | 113 | H240 V287 W288 M292 F293 T309 | H240-H290 AromaticContact CE1-CE1 3.04Å; H240-H290 PolarHBondContact CE1-CE1 3.34Å; H240-H290 AromaticContact CE1-NE2 3.32Å; H240-H290 PolarHBondContact CE1-NE2 3.2Å; H240-H290 VanDerWaalsContact CE1-NE2 3.32Å; H240-H290 AromaticContact CG-CE1 3.76Å; H240-H290 AromaticContact ND1-CE1 3Å; H240-H290 PolarHBondContact ND1-CE1 3.5Å; H240-H290 AromaticContact ND1-NE2 2.99Å; H240-H290 PolarHBondContact ND1-NE2 3.24Å; H240-H290 AromaticContact NE2-CE1 3.71Å; V287-H290 PolarHBondContact O-CE1 2.94Å; V287-H290 PolarHBondContact O-N 3.48Å; V287-H290 PolarHBondContact O-ND1 2.85Å; W288-H290 PolarHBondContact O-N 3.23Å; H290-M292 PolarHBondContact O-N 3.41Å; H290-F293 HydrophobicContact CB-CD2 4.2Å; H290-F293 HydrophobicContact CB-CE1 4.21Å; H290-F293 HydrophobicContact CB-CE2 3.47Å; H290-F293 VanDerWaalsContact CB-CE2 3.47Å; H290-F293 HydrophobicContact CB-CZ 3.48Å; H290-F293 VanDerWaalsContact CB-CZ 3.48Å; H290-F293 WeakPolarHBondContact O-CD2 3.29Å; H290-T309 WeakPolarHBondContact ND1-CG2 3.28Å; H290-T309 PolarHBondContact ND1-OG1 2.6Å |
| 291 | H | 97.3 | Very high | 96.2 | Very high | 43 Ų | 43 | 44.7 Ų | 44.7 | 20% | 0.199 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -74.7 | 1 | 171.9 | -63.4 | -70.1 | 0 | 0 | 0 | 113.5 | W236 H240 W288 A289 H368 | W236-H291 HydrophobicContact CD2-CB 3.4Å; W236-H291 AromaticContact CD2-CD2 3.54Å; W236-H291 AromaticContact CD2-CG 3.55Å; W236-H291 AromaticContact CE2-CG 3.75Å; W236-H291 HydrophobicContact CE3-CB 3.96Å; W236-H291 AromaticContact CE3-CD2 3.21Å; W236-H291 AromaticContact CE3-CG 3.53Å; W236-H291 AromaticContact CE3-NE2 3.6Å; W236-H291 HydrophobicContact CG-CB 3.67Å; W236-H291 HydrophobicContact CH2-CB 4.29Å; W236-H291 AromaticContact CH2-CG 3.95Å; W236-H291 AromaticContact CH2-ND1 3.82Å; W236-H291 HydrophobicContact CZ2-CB 3.78Å; W236-H291 AromaticContact CZ2-CG 3.96Å; W236-H291 HydrophobicContact CZ3-CB 4.36Å; W236-H291 AromaticContact CZ3-CD2 3.66Å; W236-H291 AromaticContact CZ3-CE1 3.74Å; W236-H291 AromaticContact CZ3-CG 3.74Å; W236-H291 AromaticContact CZ3-ND1 3.81Å; W236-H291 AromaticContact CZ3-NE2 3.63Å; H240-H291 AromaticContact ND1-NE2 3.3Å; H240-H291 PolarHBondContact ND1-NE2 3.48Å; W288-H291 PolarHBondContact O-CD2 3.35Å; W288-H291 PolarHBondContact O-N 3.33Å; A289-H291 PolarHBondContact O-N 3.02Å; H291-H368 PolarHBondContact O-CE1 2.81Å |
| 292 | M | 97 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -127.4 | 15.5 | -171.6 | -56.8 | 174.4 | 60.8 | 0 | 0 | 111.9 | I229 Q232 H233 A289 H290 T294 V295 M297 | I229-M292 HydrophobicContact CG2-CE 3.73Å; Q232-M292 HydrophobicContact CB-CE 3.55Å; Q232-M292 HydrophobicContact CB-CG 4.38Å; Q232-M292 HydrophobicContact CB-SD 3.99Å; H233-M292 WeakPolarHBondContact CE1-CE 3.36Å; H233-M292 WeakPolarHBondContact ND1-CE 3.38Å; H233-M292 PolarHBondContact ND1-SD 3.4Å; A289-M292 WeakPolarHBondContact O-CA 3.11Å; A289-M292 WeakPolarHBondContact O-CB 3.49Å; A289-M292 PolarHBondContact O-N 2.87Å; H290-M292 PolarHBondContact O-N 3.41Å; M292-T294 PolarHBondContact O-N 3.31Å; M292-V295 HydrophobicContact CB-CG1 3.96Å; M292-V295 HydrophobicContact CB-CG2 4.05Å; M292-V295 HydrophobicContact CE-CG2 4.16Å; M292-V295 VanDerWaalsContact O-CG2 3.24Å; M292-V295 WeakPolarHBondContact O-CG2 3.27Å; M292-V295 PolarHBondContact O-N 3.23Å; M292-M297 HydrophobicContact CB-CE 4.17Å; M292-M297 WeakPolarHBondContact O-CE 3.35Å |
| 293 | F | 96.9 | Very high | 96.2 | Very high | 3 Ų | 3 | 42.8 Ų | 42.8 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -21.4 | -174.1 | -72.3 | -40.2 | 0 | 0 | 0 | 114.6 | H290 M297 R302 F305 D364 | H290-F293 HydrophobicContact CB-CD2 4.2Å; H290-F293 HydrophobicContact CB-CE1 4.21Å; H290-F293 HydrophobicContact CB-CE2 3.47Å; H290-F293 VanDerWaalsContact CB-CE2 3.47Å; H290-F293 HydrophobicContact CB-CZ 3.48Å; H290-F293 VanDerWaalsContact CB-CZ 3.48Å; H290-F293 WeakPolarHBondContact O-CD2 3.29Å; F293-M297 HydrophobicContact CD1-CE 3.79Å; F293-M297 HydrophobicContact CE1-CE 4.42Å; F293-R302 HydrophobicContact CD1-CB 4.46Å; F293-R302 HydrophobicContact CD1-CG 4.05Å; F293-F305 HydrophobicContact CE1-CB 3.76Å; F293-F305 HydrophobicContact CZ-CB 4.15Å; F293-D364 HydrophobicContact CB-CB 4.45Å; F293-D364 HydrophobicContact CD2-CB 3.76Å |
| 294 | T | 95.9 | Very high | 96.4 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 39% | 0.393 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -3.7 | 179.4 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | M292 G296 H368 | M292-T294 PolarHBondContact O-N 3.31Å; T294-G296 PolarHBondContact O-N 2.88Å; T294-H368 HydrophobicContact CG2-CB 3.5Å; T294-H368 VanDerWaalsContact CG2-CG 3.45Å; T294-H368 PolarHBondContact OG1-CD2 3.36Å; T294-H368 VanDerWaalsContact OG1-CD2 3.3Å; T294-H368 PolarHBondContact OG1-NE2 2.95Å |
| 295 | V | 95.9 | Very high | 96.6 | Very high | 37 Ų | 37 | 48 Ų | 48 | 22% | 0.224 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -80.4 | 1.5 | -178.1 | -48.2 | 0 | 0 | 0 | 0 | 114 | I229 M292 M297 | I229-V295 HydrophobicContact CD1-CB 4.4Å; I229-V295 HydrophobicContact CG2-CG2 4.24Å; M292-V295 HydrophobicContact CB-CG1 3.96Å; M292-V295 HydrophobicContact CB-CG2 4.05Å; M292-V295 HydrophobicContact CE-CG2 4.16Å; M292-V295 VanDerWaalsContact O-CG2 3.24Å; M292-V295 WeakPolarHBondContact O-CG2 3.27Å; M292-V295 PolarHBondContact O-N 3.23Å; V295-M297 HydrophobicContact CG2-CG 3.88Å |
| 296 | G | 94.6 | Very high | 96.7 | Very high | 70 Ų | 70 | 47 Ų | 47 | 72% | 0.722 | 26% | 0.263 | S | S | * | . | trans | 88.5 | 26.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T294 | T294-G296 PolarHBondContact O-N 2.88Š| ||
| 297 | M | 95 | Very high | 96.7 | Very high | 23 Ų | 23 | 48.2 Ų | 48.2 | 11% | 0.113 | 28% | 0.275 | C | S | . | . | trans | -58.7 | 148.6 | 171.4 | -66.5 | -170.3 | -68.9 | 0 | 0 | 111.9 | A289 M292 F293 V295 T301 R302 | A289-M297 HydrophobicContact CB-CE 4.06Å; A289-M297 HydrophobicContact CB-SD 3.94Å; A289-M297 VanDerWaalsContact O-CE 3.25Å; A289-M297 WeakPolarHBondContact O-CE 3.4Å; M292-M297 HydrophobicContact CB-CE 4.17Å; M292-M297 WeakPolarHBondContact O-CE 3.35Å; F293-M297 HydrophobicContact CD1-CE 3.79Å; F293-M297 HydrophobicContact CE1-CE 4.42Å; V295-M297 HydrophobicContact CG2-CG 3.88Å; M297-T301 HydrophobicContact CB-CG2 4.27Å; M297-T301 HydrophobicContact CG-CG2 4.44Å; M297-T301 HydrophobicContact SD-CG2 3.7Å; M297-R302 HydrophobicContact CB-CG 3.96Å; M297-R302 HydrophobicContact CE-CG 4.3Å; M297-R302 PolarHBondContact O-NE 3.06Å; M297-R302 VanDerWaalsContact O-NE 3.15Å | ||
| 298 | D | 95.8 | Very high | 96.7 | Very high | 85 Ų | 85 | 48.6 Ų | 48.6 | 46% | 0.455 | 28% | 0.279 | S | S | . | . | trans | -61.6 | 163.6 | 176.9 | 69.9 | -87.9 | 0 | 0 | 0 | 112.2 | D300 T301 R302 | D298-D300 VanDerWaalsContact C-N 3.33Å; D298-D300 PolarHBondContact O-N 3.2Å; D298-D300 WeakPolarHBondContact OD2-CB 3.4Å; D298-D300 PolarHBondContact OD2-N 3.5Å; D298-T301 VanDerWaalsContact CG-OG1 3.28Å; D298-T301 VanDerWaalsContact OD1-CB 3.25Å; D298-T301 WeakPolarHBondContact OD1-CB 3.24Å; D298-T301 PolarHBondContact OD1-OG1 2.88Å; D298-T301 PolarHBondContact OD2-N 2.9Å; D298-T301 PolarHBondContact OD2-OG1 3.03Å; D298-R302 WeakPolarHBondContact O-CG 3.4Å; D298-R302 PolarHBondContact O-N 3Å; D298-R302 VanDerWaalsContact O-N 3.08Å | ||
| 299 | V | 95.5 | Very high | 96.7 | Very high | 98 Ų | 98 | 46.6 Ų | 46.6 | 59% | 0.594 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.9 | -39.5 | -174.1 | 178.2 | 0 | 0 | 0 | 0 | 111.7 | R302 A303 | V299-R302 PolarHBondContact O-N 3.44Å; V299-A303 WeakPolarHBondContact O-CB 3.49Å; V299-A303 PolarHBondContact O-N 3.33Å |
| 300 | D | 97.4 | Very high | 96.7 | Very high | 130 Ų | 130 | 49.6 Ų | 49.6 | 70% | 0.695 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -71.4 | -42.1 | -175.7 | -65.5 | -22.6 | 0 | 0 | 0 | 110.6 | D298 R302 A303 Y304 | D298-D300 VanDerWaalsContact C-N 3.33Å; D298-D300 PolarHBondContact O-N 3.2Å; D298-D300 WeakPolarHBondContact OD2-CB 3.4Å; D298-D300 PolarHBondContact OD2-N 3.5Å; D300-R302 PolarHBondContact O-N 2.74Å; D300-A303 PolarHBondContact O-N 3.04Å; D300-Y304 WeakPolarHBondContact O-CB 3.07Å; D300-Y304 PolarHBondContact O-N 3.31Å |
| 301 | T | 96.5 | Very high | 96.7 | Very high | 44 Ų | 44 | 52.5 Ų | 52.5 | 27% | 0.27 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 173.1 | -64.6 | 0 | 0 | 0 | 0 | 111 | M297 D298 A303 Y304 F305 | M297-T301 HydrophobicContact CB-CG2 4.27Å; M297-T301 HydrophobicContact CG-CG2 4.44Å; M297-T301 HydrophobicContact SD-CG2 3.7Å; D298-T301 VanDerWaalsContact CG-OG1 3.28Å; D298-T301 VanDerWaalsContact OD1-CB 3.25Å; D298-T301 WeakPolarHBondContact OD1-CB 3.24Å; D298-T301 PolarHBondContact OD1-OG1 2.88Å; D298-T301 PolarHBondContact OD2-N 2.9Å; D298-T301 PolarHBondContact OD2-OG1 3.03Å; T301-A303 PolarHBondContact O-N 3.01Å; T301-Y304 PolarHBondContact O-N 3.47Å; T301-F305 HydrophobicContact CG2-CD2 3.7Å; T301-F305 HydrophobicContact CG2-CE2 3.78Å; T301-F305 VanDerWaalsContact O-CD2 3.29Å; T301-F305 WeakPolarHBondContact O-CD2 3.36Å; T301-F305 PolarHBondContact O-N 2.7Å |
| 302 | R | 96.4 | Very high | 96.7 | Very high | 61 Ų | 61 | 50.9 Ų | 50.9 | 23% | 0.23 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -40 | 176.1 | -72.6 | -171.8 | -69.3 | 159.4 | 1.2 | 112.5 | F293 M297 D298 V299 D300 T306 | F293-R302 HydrophobicContact CD1-CB 4.46Å; F293-R302 HydrophobicContact CD1-CG 4.05Å; M297-R302 HydrophobicContact CB-CG 3.96Å; M297-R302 HydrophobicContact CE-CG 4.3Å; M297-R302 PolarHBondContact O-NE 3.06Å; M297-R302 VanDerWaalsContact O-NE 3.15Å; D298-R302 WeakPolarHBondContact O-CG 3.4Å; D298-R302 PolarHBondContact O-N 3Å; D298-R302 VanDerWaalsContact O-N 3.08Å; V299-R302 PolarHBondContact O-N 3.44Å; D300-R302 PolarHBondContact O-N 2.74Å; R302-T306 VanDerWaalsContact O-CB 3.27Å; R302-T306 WeakPolarHBondContact O-CB 3.37Å; R302-T306 PolarHBondContact O-N 3.1Å; R302-T306 PolarHBondContact O-OG1 3.43Å |
| 303 | A | 96.8 | Very high | 96.6 | Very high | 49 Ų | 49 | 52.7 Ų | 52.7 | 41% | 0.405 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | V299 D300 T301 S307 | V299-A303 WeakPolarHBondContact O-CB 3.49Å; V299-A303 PolarHBondContact O-N 3.33Å; D300-A303 PolarHBondContact O-N 3.04Å; T301-A303 PolarHBondContact O-N 3.01Å; A303-S307 WeakPolarHBondContact O-CB 3.41Å; A303-S307 PolarHBondContact O-N 3.36Å; A303-S307 PolarHBondContact O-OG 2.87Å |
| 304 | Y | 97.9 | Very high | 96.7 | Very high | 121 Ų | 121 | 58 Ų | 58 | 48% | 0.475 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.3 | -56.4 | 173.4 | 171.8 | -95.2 | 0 | 0 | 0 | 111.2 | D300 T301 T306 S307 A308 | D300-Y304 WeakPolarHBondContact O-CB 3.07Å; D300-Y304 PolarHBondContact O-N 3.31Å; T301-Y304 PolarHBondContact O-N 3.47Å; Y304-T306 VanDerWaalsContact C-N 3.28Å; Y304-T306 PolarHBondContact O-N 3.31Å; Y304-S307 PolarHBondContact O-N 3.17Å; Y304-S307 VanDerWaalsContact O-N 3.14Å; Y304-A308 HydrophobicContact CE1-CB 4.36Å; Y304-A308 WeakPolarHBondContact O-CB 3.13Å; Y304-A308 PolarHBondContact O-N 2.77Å |
| 305 | F | 97.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 55.5 Ų | 55.5 | 6% | 0.061 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66 | -31.5 | -176.8 | -82.3 | -72.4 | 0 | 0 | 0 | 112.6 | I286 W288 A289 F293 T301 T309 | I286-F305 WeakPolarHBondContact O-CE1 3.38Å; W288-F305 HydrophobicContact CD2-CE1 4.28Å; W288-F305 HydrophobicContact CD2-CZ 4.41Å; W288-F305 HydrophobicContact CE3-CE1 4.15Å; W288-F305 HydrophobicContact CE3-CZ 4.42Å; W288-F305 HydrophobicContact CH2-CZ 4.14Å; W288-F305 HydrophobicContact CZ2-CZ 4.13Å; W288-F305 HydrophobicContact CZ3-CE1 4.33Å; W288-F305 HydrophobicContact CZ3-CZ 4.29Å; A289-F305 HydrophobicContact CB-CD1 3.82Å; A289-F305 HydrophobicContact CB-CD2 3.64Å; A289-F305 HydrophobicContact CB-CE1 3.64Å; A289-F305 HydrophobicContact CB-CE2 3.45Å; A289-F305 VanDerWaalsContact CB-CE2 3.45Å; A289-F305 HydrophobicContact CB-CG 3.83Å; A289-F305 HydrophobicContact CB-CZ 3.45Å; A289-F305 VanDerWaalsContact CB-CZ 3.45Å; F293-F305 HydrophobicContact CE1-CB 3.76Å; F293-F305 HydrophobicContact CZ-CB 4.15Å; T301-F305 HydrophobicContact CG2-CD2 3.7Å; T301-F305 HydrophobicContact CG2-CE2 3.78Å; T301-F305 VanDerWaalsContact O-CD2 3.29Å; T301-F305 WeakPolarHBondContact O-CD2 3.36Å; T301-F305 PolarHBondContact O-N 2.7Å; F305-T309 WeakPolarHBondContact O-CB 3.42Å; F305-T309 PolarHBondContact O-N 3.27Å; F305-T309 PolarHBondContact O-OG1 3.03Å |
| 306 | T | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.092 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -54.2 | 170.3 | -63.7 | 0 | 0 | 0 | 0 | 110.6 | R302 Y304 T309 M310 A359 S361 | R302-T306 VanDerWaalsContact O-CB 3.27Å; R302-T306 WeakPolarHBondContact O-CB 3.37Å; R302-T306 PolarHBondContact O-N 3.1Å; R302-T306 PolarHBondContact O-OG1 3.43Å; Y304-T306 VanDerWaalsContact C-N 3.28Å; Y304-T306 PolarHBondContact O-N 3.31Å; T306-T309 PolarHBondContact O-N 3.45Å; T306-M310 HydrophobicContact CG2-CE 3.79Å; T306-M310 HydrophobicContact CG2-SD 4.12Å; T306-M310 WeakPolarHBondContact O-CG 3.37Å; T306-M310 PolarHBondContact O-N 3.16Å; T306-A359 WeakPolarHBondContact CA-O 2.99Å; T306-A359 WeakPolarHBondContact CG2-O 3.4Å; T306-S361 VanDerWaalsContact OG1-CB 3.31Å; T306-S361 WeakPolarHBondContact OG1-CB 3.44Å; T306-S361 PolarHBondContact OG1-N 2.9Å; T306-S361 PolarHBondContact OG1-OG 3.14Å |
| 307 | S | 97.1 | Very high | 96.9 | Very high | 71 Ų | 71 | 53.3 Ų | 53.3 | 50% | 0.497 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | -177 | -55.8 | 0 | 0 | 0 | 0 | 111.8 | A303 Y304 T309 M310 I311 | A303-S307 WeakPolarHBondContact O-CB 3.41Å; A303-S307 PolarHBondContact O-N 3.36Å; A303-S307 PolarHBondContact O-OG 2.87Å; Y304-S307 PolarHBondContact O-N 3.17Å; Y304-S307 VanDerWaalsContact O-N 3.14Å; S307-T309 VanDerWaalsContact C-N 3.35Å; S307-T309 PolarHBondContact O-N 3.17Å; S307-M310 PolarHBondContact O-N 3.21Å; S307-I311 WeakPolarHBondContact O-CG1 3.31Å; S307-I311 PolarHBondContact O-N 2.79Å; S307-I311 VanDerWaalsContact O-N 3.11Å |
| 308 | A | 97.4 | Very high | 97 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 7% | 0.066 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | V287 Y304 I311 | V287-A308 HydrophobicContact CG1-CB 3.83Å; Y304-A308 HydrophobicContact CE1-CB 4.36Å; Y304-A308 WeakPolarHBondContact O-CB 3.13Å; Y304-A308 PolarHBondContact O-N 2.77Å; A308-I311 PolarHBondContact O-N 3.23Å |
| 309 | T | 97.3 | Very high | 97.1 | Very high | 18 Ų | 18 | 51.1 Ų | 51.1 | 11% | 0.11 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | H290 F305 T306 S307 I311 I312 A359 | H290-T309 WeakPolarHBondContact ND1-CG2 3.28Å; H290-T309 PolarHBondContact ND1-OG1 2.6Å; F305-T309 WeakPolarHBondContact O-CB 3.42Å; F305-T309 PolarHBondContact O-N 3.27Å; F305-T309 PolarHBondContact O-OG1 3.03Å; T306-T309 PolarHBondContact O-N 3.45Å; S307-T309 VanDerWaalsContact C-N 3.35Å; S307-T309 PolarHBondContact O-N 3.17Å; T309-I311 VanDerWaalsContact C-N 3.28Å; T309-I311 PolarHBondContact O-N 3.36Å; T309-I312 WeakPolarHBondContact O-CB 3.19Å; T309-I312 PolarHBondContact O-N 2.91Å; T309-I312 VanDerWaalsContact O-N 3.16Å; T309-A359 HydrophobicContact CG2-CB 3.59Å |
| 310 | M | 97.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 32% | 0.315 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.9 | -32.6 | 177.5 | -72.5 | -179.8 | 178.3 | 0 | 0 | 112.9 | T306 S307 I312 A313 A359 N360 | T306-M310 HydrophobicContact CG2-CE 3.79Å; T306-M310 HydrophobicContact CG2-SD 4.12Å; T306-M310 WeakPolarHBondContact O-CG 3.37Å; T306-M310 PolarHBondContact O-N 3.16Å; S307-M310 PolarHBondContact O-N 3.21Å; M310-I312 PolarHBondContact O-N 3.19Å; M310-A313 VanDerWaalsContact O-CB 3.23Å; M310-A313 WeakPolarHBondContact O-CB 3.25Å; M310-A313 PolarHBondContact O-N 3.41Å; M310-A359 HydrophobicContact CE-CB 4.41Å; M310-A359 HydrophobicContact CG-CB 3.87Å; M310-N360 HydrophobicContact CE-CB 3.71Å |
| 311 | I | 97.3 | Very high | 97.2 | Very high | 85 Ų | 85 | 47.4 Ų | 47.4 | 44% | 0.436 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.4 | -29.1 | 177 | -72.3 | 166.5 | 0 | 0 | 0 | 111.9 | L283 S307 A308 T309 A313 I314 P315 | L283-I311 HydrophobicContact CD1-CG2 4Å; S307-I311 WeakPolarHBondContact O-CG1 3.31Å; S307-I311 PolarHBondContact O-N 2.79Å; S307-I311 VanDerWaalsContact O-N 3.11Å; A308-I311 PolarHBondContact O-N 3.23Å; T309-I311 VanDerWaalsContact C-N 3.28Å; T309-I311 PolarHBondContact O-N 3.36Å; I311-A313 PolarHBondContact O-N 3.15Å; I311-A313 VanDerWaalsContact O-N 3.17Å; I311-I314 WeakPolarHBondContact O-CB 3.23Å; I311-I314 PolarHBondContact O-N 3.17Å; I311-P315 VanDerWaalsContact O-CD 3.23Å; I311-P315 WeakPolarHBondContact O-CD 3.33Å |
| 312 | I | 96.6 | Very high | 97.2 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -24.3 | 178.4 | -59.6 | -177.5 | 0 | 0 | 0 | 112.2 | Y244 I280 L283 V287 T309 M310 I314 P315 T316 | Y244-I312 HydrophobicContact CE2-CD1 4.18Å; Y244-I312 WeakPolarHBondContact OH-CD1 3.26Å; I280-I312 HydrophobicContact CG1-CG2 4.41Å; I280-I312 HydrophobicContact CG2-CG2 4.47Å; L283-I312 HydrophobicContact CB-CD1 3.97Å; L283-I312 HydrophobicContact CB-CG1 3.8Å; L283-I312 HydrophobicContact CD1-CG1 3.87Å; L283-I312 HydrophobicContact CG-CG1 4.43Å; V287-I312 HydrophobicContact CB-CD1 4.29Å; V287-I312 HydrophobicContact CG1-CD1 3.83Å; V287-I312 HydrophobicContact CG2-CD1 3.69Å; T309-I312 WeakPolarHBondContact O-CB 3.19Å; T309-I312 PolarHBondContact O-N 2.91Å; T309-I312 VanDerWaalsContact O-N 3.16Å; M310-I312 PolarHBondContact O-N 3.19Å; I312-I314 PolarHBondContact O-N 3.45Å; I312-P315 VanDerWaalsContact O-CD 3.29Å; I312-P315 WeakPolarHBondContact O-CD 3.23Å; I312-P315 WeakPolarHBondContact O-CG 3.24Å; I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.27Å; I312-T316 PolarHBondContact O-OG1 3.29Å |
| 313 | A | 96.4 | Very high | 97.3 | Very high | 38 Ų | 38 | 42.6 Ų | 42.6 | 31% | 0.314 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.8 | -29 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | M310 I311 G317 I356 | M310-A313 VanDerWaalsContact O-CB 3.23Å; M310-A313 WeakPolarHBondContact O-CB 3.25Å; M310-A313 PolarHBondContact O-N 3.41Å; I311-A313 PolarHBondContact O-N 3.15Å; I311-A313 VanDerWaalsContact O-N 3.17Å; A313-G317 PolarHBondContact O-N 2.8Å; A313-I356 HydrophobicContact CB-CD1 3.81Å; A313-I356 HydrophobicContact CB-CG1 4.1Å |
| 314 | I | 97.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 44.5 Ų | 44.5 | 59% | 0.585 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.7 | -62.3 | -179 | -59.9 | 173.3 | 0 | 0 | 0 | 111.8 | I311 I312 T316 G317 V318 | I311-I314 WeakPolarHBondContact O-CB 3.23Å; I311-I314 PolarHBondContact O-N 3.17Å; I312-I314 PolarHBondContact O-N 3.45Å; I314-T316 PolarHBondContact O-N 2.85Å; I314-G317 PolarHBondContact O-N 3.23Å; I314-G317 VanDerWaalsContact O-N 3.1Å; I314-V318 WeakPolarHBondContact O-CG2 3.48Å; I314-V318 PolarHBondContact O-N 3.12Å |
| 315 | P | 97.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 39.7 Ų | 39.7 | 8% | 0.078 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.3 | -29.6 | 178.8 | 25.7 | -35 | 0 | 0 | 0 | 112.3 | A276 I280 L283 I311 I312 V318 K319 | A276-P315 HydrophobicContact CB-CB 3.85Å; A276-P315 WeakPolarHBondContact CB-O 3.25Å; I280-P315 HydrophobicContact CD1-CB 4.21Å; I280-P315 HydrophobicContact CD1-CG 4.38Å; I280-P315 HydrophobicContact CG1-CB 3.88Å; I280-P315 HydrophobicContact CG1-CG 3.67Å; L283-P315 HydrophobicContact CD1-CG 4.42Å; I311-P315 VanDerWaalsContact O-CD 3.23Å; I311-P315 WeakPolarHBondContact O-CD 3.33Å; I312-P315 VanDerWaalsContact O-CD 3.29Å; I312-P315 WeakPolarHBondContact O-CD 3.23Å; I312-P315 WeakPolarHBondContact O-CG 3.24Å; P315-V318 PolarHBondContact O-N 3.16Å; P315-K319 PolarHBondContact O-N 3.46Å |
| 316 | T | 96.2 | Very high | 97.2 | Very high | 26 Ų | 26 | 39 Ų | 39 | 16% | 0.16 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.2 | -45.6 | 173 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | I312 I314 V318 K319 V320 F348 | I312-T316 WeakPolarHBondContact O-CB 3.42Å; I312-T316 PolarHBondContact O-N 3.27Å; I312-T316 PolarHBondContact O-OG1 3.29Å; I314-T316 PolarHBondContact O-N 2.85Å; T316-V318 PolarHBondContact O-N 2.89Å; T316-K319 PolarHBondContact O-N 3.4Å; T316-V320 PolarHBondContact O-N 3.01Å; T316-V320 VanDerWaalsContact O-N 3.11Å; T316-F348 HydrophobicContact CG2-CE1 3.51Å; T316-F348 HydrophobicContact CG2-CZ 3.89Å |
| 317 | G | 97.1 | Very high | 97 | Very high | 35 Ų | 35 | 39.3 Ų | 39.3 | 36% | 0.361 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62.3 | -39.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A313 I314 K319 V320 F321 | A313-G317 PolarHBondContact O-N 2.8Å; I314-G317 PolarHBondContact O-N 3.23Å; I314-G317 VanDerWaalsContact O-N 3.1Å; G317-K319 VanDerWaalsContact C-N 3.25Å; G317-K319 PolarHBondContact O-N 3.43Å; G317-V320 PolarHBondContact O-N 3.45Å; G317-F321 WeakPolarHBondContact O-CB 3.12Å; G317-F321 PolarHBondContact O-N 2.88Å |
| 318 | V | 97.6 | Very high | 96.9 | Very high | 62 Ų | 62 | 43.2 Ų | 43.2 | 38% | 0.376 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -55.6 | -42.2 | 173.6 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | A276 I314 P315 T316 S322 | A276-V318 HydrophobicContact CB-CB 4.43Å; A276-V318 HydrophobicContact CB-CG1 4.32Å; I314-V318 WeakPolarHBondContact O-CG2 3.48Å; I314-V318 PolarHBondContact O-N 3.12Å; P315-V318 PolarHBondContact O-N 3.16Å; T316-V318 PolarHBondContact O-N 2.89Å; V318-S322 VanDerWaalsContact O-CB 3.25Å; V318-S322 WeakPolarHBondContact O-CB 3.37Å; V318-S322 PolarHBondContact O-N 2.97Å |
| 319 | K | 97.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 0% | 0.004 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 178.7 | -69.4 | 172.3 | 55.3 | -89.9 | 0 | 112.4 | F251 A276 M277 I280 P315 T316 G317 F321 S322 W323 | F251-K319 VanDerWaalsContact CE2-NZ 3.29Å; F251-K319 VanDerWaalsContact CG-CE 3.49Å; A276-K319 HydrophobicContact CB-CD 3.99Å; A276-K319 HydrophobicContact CB-CG 3.8Å; M277-K319 HydrophobicContact CG-CD 4.05Å; I280-K319 HydrophobicContact CD1-CD 4.16Å; P315-K319 PolarHBondContact O-N 3.46Å; T316-K319 PolarHBondContact O-N 3.4Å; G317-K319 VanDerWaalsContact C-N 3.25Å; G317-K319 PolarHBondContact O-N 3.43Å; K319-F321 VanDerWaalsContact C-N 3.34Å; K319-F321 PolarHBondContact O-N 2.83Å; K319-S322 PolarHBondContact O-N 3.41Å; K319-W323 HydrophobicContact CB-CH2 4.29Å; K319-W323 HydrophobicContact CB-CZ2 4.43Å; K319-W323 HydrophobicContact CB-CZ3 4.48Å; K319-W323 VanDerWaalsContact NZ-CH2 3.31Å; K319-W323 VanDerWaalsContact O-CD2 3.31Å; K319-W323 PolarHBondContact O-N 3.34Å |
| 320 | V | 97.6 | Very high | 96.1 | Very high | 22 Ų | 22 | 47 Ų | 47 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.2 | -47.6 | 175.9 | 173 | 0 | 0 | 0 | 0 | 110.6 | T316 G317 S322 W323 L324 I345 F348 | T316-V320 PolarHBondContact O-N 3.01Å; T316-V320 VanDerWaalsContact O-N 3.11Å; G317-V320 PolarHBondContact O-N 3.45Å; V320-S322 PolarHBondContact O-N 2.65Å; V320-W323 HydrophobicContact CG2-CE3 4.32Å; V320-W323 HydrophobicContact CG2-CZ3 4.09Å; V320-W323 PolarHBondContact O-N 3.43Å; V320-L324 HydrophobicContact CG1-CD1 4.27Å; V320-L324 WeakPolarHBondContact O-CG 3.41Å; V320-L324 PolarHBondContact O-N 2.99Å; V320-L324 VanDerWaalsContact O-N 3.12Å; V320-I345 HydrophobicContact CG1-CG2 4.25Å; V320-F348 HydrophobicContact CG2-CD1 4.5Å |
| 321 | F | 97.9 | Very high | 95.6 | Very high | 127 Ų | 127 | 51.7 Ų | 51.7 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -59.4 | -45.4 | 175.9 | 177 | -100.2 | 0 | 0 | 0 | 112 | F268 G317 K319 W323 L324 A325 | F268-F321 HydrophobicContact CD1-CE1 4.38Å; F268-F321 HydrophobicContact CE1-CD1 4.32Å; F268-F321 AromaticContact CE1-CE1 3.72Å; F268-F321 HydrophobicContact CE1-CE1 3.72Å; F268-F321 HydrophobicContact CZ-CE1 4.4Å; G317-F321 WeakPolarHBondContact O-CB 3.12Å; G317-F321 PolarHBondContact O-N 2.88Å; K319-F321 VanDerWaalsContact C-N 3.34Å; K319-F321 PolarHBondContact O-N 2.83Å; F321-W323 PolarHBondContact O-N 2.76Å; F321-L324 PolarHBondContact O-N 3.46Å; F321-A325 HydrophobicContact CE1-CB 4.43Å; F321-A325 WeakPolarHBondContact O-CB 3.49Å; F321-A325 PolarHBondContact O-N 3.17Å |
| 322 | S | 97.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 49.4 Ų | 49.4 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -59.7 | -42.5 | 178.2 | 167.2 | 0 | 0 | 0 | 0 | 112.6 | F268 M273 V318 K319 V320 A325 T326 | F268-S322 WeakPolarHBondContact O-CB 3.44Å; F268-S322 PolarHBondContact O-OG 3.4Å; M273-S322 WeakPolarHBondContact CG-OG 3.01Å; M273-S322 PolarHBondContact SD-OG 2.74Å; V318-S322 VanDerWaalsContact O-CB 3.25Å; V318-S322 WeakPolarHBondContact O-CB 3.37Å; V318-S322 PolarHBondContact O-N 2.97Å; K319-S322 PolarHBondContact O-N 3.41Å; V320-S322 PolarHBondContact O-N 2.65Å; S322-A325 PolarHBondContact O-N 3.49Å; S322-T326 WeakPolarHBondContact O-CB 3.43Å; S322-T326 PolarHBondContact O-N 2.71Å; S322-T326 PolarHBondContact O-OG1 2.58Å |
| 323 | W | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.2 | -46.1 | 174.6 | -65.4 | -42.5 | 0 | 0 | 0 | 111.9 | F251 I254 S255 M273 K319 V320 F321 A325 T326 L327 F344 I345 | F251-W323 HydrophobicContact CB-CH2 4.32Å; F251-W323 HydrophobicContact CB-CZ2 4.01Å; F251-W323 AromaticContact CD1-CH2 3.57Å; F251-W323 HydrophobicContact CD1-CH2 3.57Å; F251-W323 HydrophobicContact CD1-CZ2 4.12Å; F251-W323 HydrophobicContact CE1-CH2 4.14Å; F251-W323 HydrophobicContact CG-CH2 4.21Å; F251-W323 HydrophobicContact CG-CZ2 4.39Å; I254-W323 HydrophobicContact CB-CZ2 4.45Å; I254-W323 HydrophobicContact CG2-CD2 4.17Å; I254-W323 HydrophobicContact CG2-CG 4.48Å; I254-W323 HydrophobicContact CG2-CZ2 4.29Å; S255-W323 PolarHBondContact OG-NE1 3.33Å; M273-W323 VanDerWaalsContact CE-NE1 3.33Å; K319-W323 HydrophobicContact CB-CH2 4.29Å; K319-W323 HydrophobicContact CB-CZ2 4.43Å; K319-W323 HydrophobicContact CB-CZ3 4.48Å; K319-W323 VanDerWaalsContact NZ-CH2 3.31Å; K319-W323 VanDerWaalsContact O-CD2 3.31Å; K319-W323 PolarHBondContact O-N 3.34Å; V320-W323 HydrophobicContact CG2-CE3 4.32Å; V320-W323 HydrophobicContact CG2-CZ3 4.09Å; V320-W323 PolarHBondContact O-N 3.43Å; F321-W323 PolarHBondContact O-N 2.76Å; W323-A325 PolarHBondContact O-N 3.05Å; W323-T326 WeakPolarHBondContact O-CB 3.34Å; W323-T326 PolarHBondContact O-N 2.91Å; W323-T326 VanDerWaalsContact O-N 3.16Å; W323-L327 WeakPolarHBondContact O-CG 3.22Å; W323-L327 PolarHBondContact O-N 3.06Å; W323-F344 AromaticContact CH2-CE1 3.67Å; W323-F344 HydrophobicContact CH2-CE1 3.67Å; W323-F344 HydrophobicContact CH2-CZ 4.37Å; W323-F344 HydrophobicContact CZ2-CE1 4.47Å; W323-F344 HydrophobicContact CZ3-CD1 4.49Å; W323-F344 AromaticContact CZ3-CE1 3.75Å; W323-F344 HydrophobicContact CZ3-CE1 3.75Å; W323-I345 HydrophobicContact CB-CD1 3.73Å; W323-I345 HydrophobicContact CB-CG1 4.38Å; W323-I345 HydrophobicContact CD2-CG1 4.35Å; W323-I345 HydrophobicContact CE3-CD1 4.44Å; W323-I345 HydrophobicContact CE3-CG1 3.84Å; W323-I345 HydrophobicContact CG-CD1 4.28Å |
| 324 | L | 97 | Very high | 94 | Very high | 89 Ų | 89 | 60 Ų | 60 | 47% | 0.466 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.6 | -41.8 | 177.8 | -65.6 | 175.8 | 0 | 0 | 0 | 112 | V320 F321 T326 L327 H328 I345 | V320-L324 HydrophobicContact CG1-CD1 4.27Å; V320-L324 WeakPolarHBondContact O-CG 3.41Å; V320-L324 PolarHBondContact O-N 2.99Å; V320-L324 VanDerWaalsContact O-N 3.12Å; F321-L324 PolarHBondContact O-N 3.46Å; L324-T326 VanDerWaalsContact C-N 3.3Å; L324-T326 PolarHBondContact O-N 3.26Å; L324-L327 PolarHBondContact O-N 3.31Å; L324-H328 PolarHBondContact O-N 3.1Å; L324-I345 HydrophobicContact CD2-CG2 4.26Å |
| 325 | A | 97 | Very high | 93.8 | Very high | 21 Ų | 21 | 55.1 Ų | 55.1 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.8 | -32.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K264 F268 F321 S322 W323 H328 | K264-A325 PolarHBondContact NZ-O 2.82Å; F268-A325 HydrophobicContact CB-CB 3.84Å; F268-A325 HydrophobicContact CD1-CB 3.58Å; F268-A325 HydrophobicContact CD2-CB 4.16Å; F268-A325 HydrophobicContact CE1-CB 4.18Å; F268-A325 HydrophobicContact CG-CB 3.56Å; F321-A325 HydrophobicContact CE1-CB 4.43Å; F321-A325 WeakPolarHBondContact O-CB 3.49Å; F321-A325 PolarHBondContact O-N 3.17Å; S322-A325 PolarHBondContact O-N 3.49Å; W323-A325 PolarHBondContact O-N 3.05Å; A325-H328 PolarHBondContact O-N 2.7Å |
| 326 | T | 95.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.7 | -39 | 173.8 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | V258 K264 P267 F268 S322 W323 L324 | V258-T326 HydrophobicContact CG1-CG2 3.7Å; K264-T326 HydrophobicContact CD-CG2 4.09Å; K264-T326 WeakPolarHBondContact CD-O 3.35Å; K264-T326 WeakPolarHBondContact CE-O 3.46Å; K264-T326 PolarHBondContact NZ-O 2.87Å; P267-T326 HydrophobicContact CB-CG2 4.42Å; F268-T326 PolarHBondContact N-OG1 2.87Å; S322-T326 WeakPolarHBondContact O-CB 3.43Å; S322-T326 PolarHBondContact O-N 2.71Å; S322-T326 PolarHBondContact O-OG1 2.58Å; W323-T326 WeakPolarHBondContact O-CB 3.34Å; W323-T326 PolarHBondContact O-N 2.91Å; W323-T326 VanDerWaalsContact O-N 3.16Å; L324-T326 VanDerWaalsContact C-N 3.3Å; L324-T326 PolarHBondContact O-N 3.26Å |
| 327 | L | 94.6 | Very high | 93.8 | Very high | 21 Ų | 21 | 53.3 Ų | 53.3 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.8 | -26.8 | 175.3 | -62.8 | 163.3 | 0 | 0 | 0 | 112.5 | V258 W323 L324 G329 S330 M332 L342 I345 | V258-L327 HydrophobicContact CB-CD2 4.45Å; V258-L327 HydrophobicContact CG1-CD1 4.45Å; V258-L327 HydrophobicContact CG1-CD2 3.79Å; V258-L327 HydrophobicContact CG1-CG 3.76Å; V258-L327 HydrophobicContact CG2-CD2 4.33Å; W323-L327 WeakPolarHBondContact O-CG 3.22Å; W323-L327 PolarHBondContact O-N 3.06Å; L324-L327 PolarHBondContact O-N 3.31Å; L327-G329 PolarHBondContact O-N 3.19Å; L327-S330 PolarHBondContact O-N 3.07Å; L327-S330 PolarHBondContact O-OG 3.2Å; L327-M332 HydrophobicContact CB-SD 4.32Å; L327-M332 HydrophobicContact CD2-SD 3.35Å; L327-M332 WeakPolarHBondContact CD2-SD 3.48Å; L327-M332 HydrophobicContact CG-SD 4.39Å; L327-L342 HydrophobicContact CD1-CD2 3.67Å; L327-I345 HydrophobicContact CD1-CD1 4.18Å |
| 328 | H | 94.4 | Very high | 93.7 | Very high | 153 Ų | 153 | 51.9 Ų | 51.9 | 71% | 0.708 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | 129.9 | -178.8 | -176.2 | -92.5 | 0 | 0 | 0 | 112.1 | K264 L324 A325 S330 | K264-H328 PolarHBondContact NZ-O 3.26Å; L324-H328 PolarHBondContact O-N 3.1Å; A325-H328 PolarHBondContact O-N 2.7Å; H328-S330 VanDerWaalsContact C-N 3.27Å; H328-S330 PolarHBondContact O-N 3.48Å |
| 329 | G | 89.3 | Confident | 93.7 | Very high | 77 Ų | 77 | 50.7 Ų | 50.7 | 79% | 0.794 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 9.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.3 | L327 | L327-G329 PolarHBondContact O-N 3.19Š|
| 330 | S | 88.9 | Confident | 93.8 | Very high | 27 Ų | 27 | 50.7 Ų | 50.7 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | trans | -90.3 | 148.7 | 174 | 69.1 | 0 | 0 | 0 | 0 | 112 | S262 L327 H328 M332 | S262-S330 WeakPolarHBondContact O-CB 3.3Å; L327-S330 PolarHBondContact O-N 3.07Å; L327-S330 PolarHBondContact O-OG 3.2Å; H328-S330 VanDerWaalsContact C-N 3.27Å; H328-S330 PolarHBondContact O-N 3.48Å; S330-M332 PolarHBondContact O-N 2.95Å; S330-M332 WeakPolarHBondContact OG-CG 3.21Å | ||
| 331 | N | 85.8 | Confident | 93.8 | Very high | 163 Ų | 163 | 49.7 Ų | 49.7 | 87% | 0.872 | 26% | 0.261 | S | S | * | . | trans | -88.4 | 82.2 | 171.7 | -173.3 | 10 | 0 | 0 | 0 | 109.3 | ||||
| 332 | M | 83.9 | Confident | 93.8 | Very high | 38 Ų | 38 | 46 Ų | 46 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | trans | -75.3 | 132.6 | -172.1 | -63.8 | -166.1 | -61.4 | 0 | 0 | 113.2 | L327 S330 W334 V338 | L327-M332 HydrophobicContact CB-SD 4.32Å; L327-M332 HydrophobicContact CD2-SD 3.35Å; L327-M332 WeakPolarHBondContact CD2-SD 3.48Å; L327-M332 HydrophobicContact CG-SD 4.39Å; S330-M332 PolarHBondContact O-N 2.95Å; S330-M332 WeakPolarHBondContact OG-CG 3.21Å; M332-W334 HydrophobicContact CE-CH2 3.79Å; M332-W334 HydrophobicContact CE-CZ2 4.03Å; M332-W334 HydrophobicContact CE-CZ3 4.28Å; M332-V338 HydrophobicContact SD-CG1 4.36Å | ||
| 333 | K | 83.4 | Confident | 93.8 | Very high | 118 Ų | 118 | 46 Ų | 46 | 51% | 0.513 | 25% | 0.247 | S | C | . | . | trans | -79.6 | 121.5 | 160.3 | -66.9 | 177.3 | -176.1 | 166.1 | 0 | 109 | S335 E486 | K333-S335 PolarHBondContact O-N 2.99Å; K333-E486 IonicContact NZ-OE1 3.81Å; K333-E486 PolarHBondContact NZ-OE1 2.99Å; K333-E486 IonicContact NZ-OE2 2.68Å; K333-E486 PolarHBondContact NZ-OE2 3.41Å | ||
| 334 | W | 90.7 | Very high | 93.8 | Very high | 149 Ų | 149 | 46 Ų | 46 | 56% | 0.564 | 25% | 0.247 | S | C | * | . | trans | -72.9 | 70.8 | 176.6 | -63.7 | 102.7 | 0 | 0 | 0 | 112 | M332 V338 L339 L342 K411 | M332-W334 HydrophobicContact CE-CH2 3.79Å; M332-W334 HydrophobicContact CE-CZ2 4.03Å; M332-W334 HydrophobicContact CE-CZ3 4.28Å; W334-V338 HydrophobicContact CE3-CG1 4.45Å; W334-L339 HydrophobicContact CE3-CD2 4.16Å; W334-L342 HydrophobicContact CE3-CD1 4.44Å; W334-L342 HydrophobicContact CH2-CD1 4.2Å; W334-L342 HydrophobicContact CZ3-CD1 3.5Å; W334-K411 WeakPolarHBondContact O-CE 3.27Å; W334-K411 PolarHBondContact O-NZ 3.29Å | ||
| 335 | S | 93.8 | Very high | 93.8 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | trans | -80.9 | 161.3 | 172.4 | 73.6 | 0 | 0 | 0 | 0 | 111.1 | Y261 K333 A337 V338 L339 | Y261-S335 WeakPolarHBondContact CD1-OG 3.33Å; Y261-S335 WeakPolarHBondContact CE1-OG 3.42Å; K333-S335 PolarHBondContact O-N 2.99Å; S335-A337 VanDerWaalsContact C-N 3.28Å; S335-A337 PolarHBondContact O-N 2.99Å; S335-V338 PolarHBondContact O-N 2.93Å; S335-V338 WeakPolarHBondContact OG-CG2 3.25Å; S335-V338 PolarHBondContact OG-N 3.1Å; S335-L339 PolarHBondContact O-N 2.98Å | ||
| 336 | A | 96.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V338 L339 W340 I394 Q407 A410 K411 | A336-V338 VanDerWaalsContact C-N 3.31Å; A336-V338 PolarHBondContact O-N 3.02Å; A336-L339 WeakPolarHBondContact O-CB 3.38Å; A336-L339 PolarHBondContact O-N 2.95Å; A336-L339 VanDerWaalsContact O-N 3.1Å; A336-W340 PolarHBondContact O-N 3.35Å; A336-I394 HydrophobicContact CB-CD1 4.42Å; A336-I394 HydrophobicContact CB-CG2 4.16Å; A336-Q407 VanDerWaalsContact N-OE1 3.16Å; A336-A410 HydrophobicContact CB-CB 3.5Å; A336-A410 VanDerWaalsContact CB-CB 3.5Å; A336-K411 HydrophobicContact CB-CG 4.29Å |
| 337 | A | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.8 | I257 Y261 S335 W340 A341 I394 H395 | I257-A337 HydrophobicContact CG2-CB 4.1Å; Y261-A337 HydrophobicContact CD2-CB 4.39Å; Y261-A337 HydrophobicContact CE2-CB 3.53Å; S335-A337 VanDerWaalsContact C-N 3.28Å; S335-A337 PolarHBondContact O-N 2.99Å; A337-W340 PolarHBondContact O-N 2.66Å; A337-A341 PolarHBondContact O-N 3.45Å; A337-I394 HydrophobicContact CB-CG2 4.17Å; A337-H395 HydrophobicContact CB-CB 4.25Å |
| 338 | V | 95.8 | Very high | 94 | Very high | 5 Ų | 5 | 46.2 Ų | 46.2 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.2 | -40.3 | 174.4 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | Y261 M332 W334 S335 A336 W340 A341 L342 | Y261-V338 HydrophobicContact CD1-CG2 3.94Å; Y261-V338 HydrophobicContact CD2-CG2 3.76Å; Y261-V338 HydrophobicContact CG-CG2 3.39Å; M332-V338 HydrophobicContact SD-CG1 4.36Å; W334-V338 HydrophobicContact CE3-CG1 4.45Å; S335-V338 PolarHBondContact O-N 2.93Å; S335-V338 WeakPolarHBondContact OG-CG2 3.25Å; S335-V338 PolarHBondContact OG-N 3.1Å; A336-V338 VanDerWaalsContact C-N 3.31Å; A336-V338 PolarHBondContact O-N 3.02Å; V338-W340 PolarHBondContact O-N 2.71Å; V338-A341 PolarHBondContact O-N 3.39Å; V338-L342 HydrophobicContact CG1-CD1 3.92Å; V338-L342 HydrophobicContact CG1-CG 4.28Å; V338-L342 WeakPolarHBondContact O-CG 3.31Å; V338-L342 PolarHBondContact O-N 3.27Å |
| 339 | L | 97.7 | Very high | 94.1 | Very high | 37 Ų | 37 | 41.3 Ų | 41.3 | 19% | 0.194 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 176.1 | -63.7 | 178.6 | 0 | 0 | 0 | 111.6 | W334 S335 A336 A341 L342 G343 K411 F414 | W334-L339 HydrophobicContact CE3-CD2 4.16Å; S335-L339 PolarHBondContact O-N 2.98Å; A336-L339 WeakPolarHBondContact O-CB 3.38Å; A336-L339 PolarHBondContact O-N 2.95Å; A336-L339 VanDerWaalsContact O-N 3.1Å; L339-A341 VanDerWaalsContact C-N 3.34Å; L339-A341 PolarHBondContact O-N 3.41Å; L339-L342 PolarHBondContact O-N 3.17Å; L339-G343 PolarHBondContact O-N 3.07Å; L339-K411 HydrophobicContact CD1-CB 4.46Å; L339-K411 HydrophobicContact CD1-CG 3.93Å; L339-F414 VanDerWaalsContact C-CE2 3.49Å; L339-F414 HydrophobicContact CB-CD1 3.69Å; L339-F414 HydrophobicContact CB-CD2 4.1Å; L339-F414 HydrophobicContact CB-CE1 3.79Å; L339-F414 HydrophobicContact CB-CE2 4.17Å; L339-F414 HydrophobicContact CB-CG 3.85Å; L339-F414 HydrophobicContact CB-CZ 4.02Å; L339-F414 HydrophobicContact CD1-CD1 3.9Å; L339-F414 HydrophobicContact CD1-CE1 4.39Å; L339-F414 HydrophobicContact CD1-CG 4.48Å; L339-F414 HydrophobicContact CG-CD1 4.35Å; L339-F414 HydrophobicContact CG-CE1 4.48Å; L339-F414 WeakPolarHBondContact O-CE2 3.44Å; L339-F414 WeakPolarHBondContact O-CZ 3.21Å |
| 340 | W | 98.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.5 | -41 | 173.8 | -75.5 | 101.8 | 0 | 0 | 0 | 112.5 | A336 A337 V338 G343 F344 F387 M390 I394 H413 F414 M417 | A336-W340 PolarHBondContact O-N 3.35Å; A337-W340 PolarHBondContact O-N 2.66Å; V338-W340 PolarHBondContact O-N 2.71Å; W340-G343 PolarHBondContact O-N 3.02Å; W340-F344 WeakPolarHBondContact O-CB 3.26Å; W340-F344 PolarHBondContact O-N 2.8Å; W340-F387 HydrophobicContact CE3-CB 4.08Å; W340-F387 AromaticContact CE3-CD1 3.47Å; W340-F387 HydrophobicContact CE3-CD1 3.47Å; W340-F387 VanDerWaalsContact CE3-CD1 3.47Å; W340-F387 HydrophobicContact CE3-CD2 4.36Å; W340-F387 AromaticContact CE3-CE1 3.85Å; W340-F387 HydrophobicContact CE3-CE1 3.85Å; W340-F387 AromaticContact CE3-CG 3.74Å; W340-F387 HydrophobicContact CE3-CG 3.74Å; W340-F387 HydrophobicContact CE3-CZ 4.45Å; W340-F387 HydrophobicContact CZ3-CB 4.42Å; W340-F387 AromaticContact CZ3-CD1 3.71Å; W340-F387 HydrophobicContact CZ3-CD1 3.71Å; W340-F387 AromaticContact CZ3-CD2 3.92Å; W340-F387 HydrophobicContact CZ3-CD2 3.92Å; W340-F387 AromaticContact CZ3-CE1 3.75Å; W340-F387 HydrophobicContact CZ3-CE1 3.75Å; W340-F387 AromaticContact CZ3-CE2 3.98Å; W340-F387 HydrophobicContact CZ3-CE2 3.98Å; W340-F387 AromaticContact CZ3-CG 3.78Å; W340-F387 HydrophobicContact CZ3-CG 3.78Å; W340-F387 AromaticContact CZ3-CZ 3.9Å; W340-F387 HydrophobicContact CZ3-CZ 3.9Å; W340-M390 HydrophobicContact CD2-CB 3.67Å; W340-M390 HydrophobicContact CE3-CB 3.57Å; W340-M390 HydrophobicContact CE3-CG 4.33Å; W340-M390 HydrophobicContact CG-CB 4.41Å; W340-M390 HydrophobicContact CH2-CB 3.81Å; W340-M390 HydrophobicContact CH2-CG 3.86Å; W340-M390 HydrophobicContact CZ2-CB 3.94Å; W340-M390 HydrophobicContact CZ2-CG 4.31Å; W340-M390 HydrophobicContact CZ3-CB 3.63Å; W340-M390 HydrophobicContact CZ3-CG 3.88Å; W340-I394 HydrophobicContact CG-CD1 4.41Å; W340-H413 AromaticContact CH2-CE1 3.92Å; W340-H413 AromaticContact CZ2-CE1 3.47Å; W340-H413 VanDerWaalsContact CZ2-CE1 3.47Å; W340-H413 WeakPolarHBondContact CZ2-CE1 3.35Å; W340-H413 AromaticContact CZ2-ND1 3.46Å; W340-H413 WeakPolarHBondContact CZ2-ND1 3.35Å; W340-F414 AromaticContact CD2-CD2 3.7Å; W340-F414 HydrophobicContact CD2-CD2 3.7Å; W340-F414 AromaticContact CE2-CD2 3.82Å; W340-F414 HydrophobicContact CE3-CD2 4.06Å; W340-F414 AromaticContact CG-CD2 3.97Å; W340-F414 HydrophobicContact CG-CD2 3.97Å; W340-F414 HydrophobicContact CZ2-CB 4.05Å; W340-F414 HydrophobicContact CZ2-CD2 4.28Å; W340-M417 HydrophobicContact CH2-CB 3.72Å; W340-M417 HydrophobicContact CH2-CG 3.74Å; W340-M417 HydrophobicContact CZ2-CB 4.44Å; W340-M417 HydrophobicContact CZ3-CG 4.21Å |
| 341 | A | 97.5 | Very high | 94.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I254 I257 V258 A337 V338 L339 F344 I345 | I254-A341 HydrophobicContact CD1-CB 4.08Å; I254-A341 HydrophobicContact CG2-CB 4.43Å; I257-A341 HydrophobicContact CG2-CB 3.91Å; V258-A341 HydrophobicContact CG2-CB 4.16Å; A337-A341 PolarHBondContact O-N 3.45Å; V338-A341 PolarHBondContact O-N 3.39Å; L339-A341 VanDerWaalsContact C-N 3.34Å; L339-A341 PolarHBondContact O-N 3.41Å; A341-F344 WeakPolarHBondContact O-CB 3.39Å; A341-F344 PolarHBondContact O-N 2.62Å; A341-I345 VanDerWaalsContact O-CG1 3.24Å; A341-I345 WeakPolarHBondContact O-CG1 3.34Å; A341-I345 PolarHBondContact O-N 2.93Å |
| 342 | L | 97.4 | Very high | 95.2 | Very high | 50 Ų | 50 | 31.4 Ų | 31.4 | 26% | 0.262 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 175.1 | -70 | 173 | 0 | 0 | 0 | 112 | L327 W334 V338 L339 F344 I345 F346 | L327-L342 HydrophobicContact CD1-CD2 3.67Å; W334-L342 HydrophobicContact CE3-CD1 4.44Å; W334-L342 HydrophobicContact CH2-CD1 4.2Å; W334-L342 HydrophobicContact CZ3-CD1 3.5Å; V338-L342 HydrophobicContact CG1-CD1 3.92Å; V338-L342 HydrophobicContact CG1-CG 4.28Å; V338-L342 WeakPolarHBondContact O-CG 3.31Å; V338-L342 PolarHBondContact O-N 3.27Å; L339-L342 PolarHBondContact O-N 3.17Å; L342-F344 VanDerWaalsContact C-N 3.32Å; L342-F344 PolarHBondContact O-N 3.24Å; L342-I345 PolarHBondContact O-N 3.45Å; L342-F346 WeakPolarHBondContact O-CB 3.17Å; L342-F346 PolarHBondContact O-N 3.45Å |
| 343 | G | 97.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -58.8 | -44.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L339 W340 L347 | L339-G343 PolarHBondContact O-N 3.07Å; W340-G343 PolarHBondContact O-N 3.02Å; G343-L347 WeakPolarHBondContact O-CB 3.45Å; G343-L347 WeakPolarHBondContact O-CG 3.3Å; G343-L347 PolarHBondContact O-N 3.3Å |
| 344 | F | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.3 | -55.2 | 171.9 | 172.6 | -86.7 | 0 | 0 | 0 | 111.4 | I247 F251 I254 W323 W340 A341 L342 F346 L347 F348 G384 F387 A388 | I247-F344 HydrophobicContact CD1-CE2 3.88Å; I247-F344 HydrophobicContact CD1-CZ 4.28Å; F251-F344 HydrophobicContact CD1-CE1 4.24Å; F251-F344 AromaticContact CD1-CZ 3.7Å; F251-F344 HydrophobicContact CD1-CZ 3.7Å; F251-F344 HydrophobicContact CE1-CE1 4.48Å; F251-F344 AromaticContact CE1-CZ 3.81Å; F251-F344 HydrophobicContact CE1-CZ 3.81Å; I254-F344 HydrophobicContact CB-CD1 4.24Å; I254-F344 HydrophobicContact CB-CE1 4.37Å; I254-F344 HydrophobicContact CD1-CB 3.97Å; I254-F344 HydrophobicContact CD1-CD1 4.22Å; I254-F344 HydrophobicContact CD1-CD2 4.45Å; I254-F344 HydrophobicContact CD1-CG 3.96Å; I254-F344 HydrophobicContact CG1-CB 4.26Å; I254-F344 HydrophobicContact CG1-CD1 3.57Å; I254-F344 HydrophobicContact CG1-CD2 4.09Å; I254-F344 HydrophobicContact CG1-CE1 3.88Å; I254-F344 HydrophobicContact CG1-CE2 4.34Å; I254-F344 HydrophobicContact CG1-CG 3.7Å; I254-F344 HydrophobicContact CG1-CZ 4.27Å; I254-F344 HydrophobicContact CG2-CD1 3.96Å; I254-F344 HydrophobicContact CG2-CE1 4.32Å; W323-F344 AromaticContact CH2-CE1 3.67Å; W323-F344 HydrophobicContact CH2-CE1 3.67Å; W323-F344 HydrophobicContact CH2-CZ 4.37Å; W323-F344 HydrophobicContact CZ2-CE1 4.47Å; W323-F344 HydrophobicContact CZ3-CD1 4.49Å; W323-F344 AromaticContact CZ3-CE1 3.75Å; W323-F344 HydrophobicContact CZ3-CE1 3.75Å; W340-F344 WeakPolarHBondContact O-CB 3.26Å; W340-F344 PolarHBondContact O-N 2.8Å; A341-F344 WeakPolarHBondContact O-CB 3.39Å; A341-F344 PolarHBondContact O-N 2.62Å; L342-F344 VanDerWaalsContact C-N 3.32Å; L342-F344 PolarHBondContact O-N 3.24Å; F344-F346 VanDerWaalsContact C-N 3.27Å; F344-F346 PolarHBondContact O-N 3.48Å; F344-L347 PolarHBondContact O-N 3.26Å; F344-F348 HydrophobicContact CE1-CB 4.28Å; F344-F348 HydrophobicContact CE1-CG 4.34Å; F344-F348 HydrophobicContact CZ-CB 4.28Å; F344-F348 HydrophobicContact CZ-CD2 4.25Å; F344-F348 HydrophobicContact CZ-CG 4.12Å; F344-F348 WeakPolarHBondContact O-CB 3.34Å; F344-F348 PolarHBondContact O-N 3.3Å; F344-G384 WeakPolarHBondContact CD2-O 3.48Å; F344-G384 WeakPolarHBondContact CE2-O 3.35Å; F344-F387 HydrophobicContact CB-CB 4.15Å; F344-F387 HydrophobicContact CD2-CB 4.4Å; F344-A388 HydrophobicContact CD2-CB 4.07Å; F344-A388 HydrophobicContact CE2-CB 4.11Å |
| 345 | I | 97.9 | Very high | 96.8 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.041 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -57.3 | -44.9 | -175.5 | -68.8 | 164.9 | 0 | 0 | 0 | 110.5 | I254 V258 V320 W323 L324 L327 A341 L342 T349 | I254-I345 HydrophobicContact CG2-CG1 4.33Å; V258-I345 HydrophobicContact CG2-CD1 4.28Å; V320-I345 HydrophobicContact CG1-CG2 4.25Å; W323-I345 HydrophobicContact CB-CD1 3.73Å; W323-I345 HydrophobicContact CB-CG1 4.38Å; W323-I345 HydrophobicContact CD2-CG1 4.35Å; W323-I345 HydrophobicContact CE3-CD1 4.44Å; W323-I345 HydrophobicContact CE3-CG1 3.84Å; W323-I345 HydrophobicContact CG-CD1 4.28Å; L324-I345 HydrophobicContact CD2-CG2 4.26Å; L327-I345 HydrophobicContact CD1-CD1 4.18Å; A341-I345 VanDerWaalsContact O-CG1 3.24Å; A341-I345 WeakPolarHBondContact O-CG1 3.34Å; A341-I345 PolarHBondContact O-N 2.93Å; L342-I345 PolarHBondContact O-N 3.45Å; I345-T349 WeakPolarHBondContact O-CB 3.17Å; I345-T349 PolarHBondContact O-N 2.86Å; I345-T349 VanDerWaalsContact O-N 3.17Å; I345-T349 PolarHBondContact O-OG1 3.07Å |
| 346 | F | 97.4 | Very high | 96.9 | Very high | 116 Ų | 116 | 26.2 Ų | 26.2 | 51% | 0.509 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64.3 | -58 | 179.1 | 176.2 | -107.3 | 0 | 0 | 0 | 112.2 | L342 F344 F348 T349 V350 F418 | L342-F346 WeakPolarHBondContact O-CB 3.17Å; L342-F346 PolarHBondContact O-N 3.45Å; F344-F346 VanDerWaalsContact C-N 3.27Å; F344-F346 PolarHBondContact O-N 3.48Å; F346-F348 PolarHBondContact O-N 2.91Å; F346-T349 PolarHBondContact O-N 3.47Å; F346-T349 VanDerWaalsContact O-N 3.15Å; F346-V350 HydrophobicContact CE1-CG2 4.34Å; F346-V350 HydrophobicContact CE2-CG2 4.2Å; F346-V350 HydrophobicContact CZ-CG2 4.05Å; F346-V350 PolarHBondContact O-N 3.01Å; F346-F418 HydrophobicContact CD1-CE2 4.29Å; F346-F418 AromaticContact CD1-CZ 4Å; F346-F418 HydrophobicContact CD1-CZ 4Å; F346-F418 HydrophobicContact CE1-CZ 4.21Å |
| 347 | L | 97 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.2 | -37.7 | -173.5 | -60.9 | 169.7 | 0 | 0 | 0 | 111.7 | G343 F344 T349 V350 G351 Y379 M383 F387 F418 V421 N422 | G343-L347 WeakPolarHBondContact O-CB 3.45Å; G343-L347 WeakPolarHBondContact O-CG 3.3Å; G343-L347 PolarHBondContact O-N 3.3Å; F344-L347 PolarHBondContact O-N 3.26Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 2.79Å; L347-V350 PolarHBondContact O-N 3Å; L347-G351 PolarHBondContact O-N 3.21Å; L347-Y379 HydrophobicContact CB-CD1 4.26Å; L347-Y379 HydrophobicContact CD2-CD1 4.35Å; L347-Y379 HydrophobicContact CD2-CE1 3.75Å; L347-M383 HydrophobicContact CB-CB 3.7Å; L347-M383 HydrophobicContact CB-CG 4.36Å; L347-M383 HydrophobicContact CB-SD 4.01Å; L347-M383 HydrophobicContact CD1-CB 3.85Å; L347-M383 HydrophobicContact CD1-CG 3.86Å; L347-M383 HydrophobicContact CD1-SD 3.72Å; L347-M383 HydrophobicContact CD2-SD 3.84Å; L347-M383 HydrophobicContact CG-CB 4.36Å; L347-M383 HydrophobicContact CG-SD 4.04Å; L347-F387 HydrophobicContact CD1-CD1 4.22Å; L347-F387 HydrophobicContact CD1-CE1 3.68Å; L347-F387 HydrophobicContact CD1-CE2 4.23Å; L347-F387 HydrophobicContact CD1-CZ 3.68Å; L347-F418 HydrophobicContact CD1-CD2 3.87Å; L347-F418 HydrophobicContact CD1-CE2 3.69Å; L347-F418 HydrophobicContact CD2-CE2 4.03Å; L347-F418 HydrophobicContact CD2-CZ 4.3Å; L347-F418 HydrophobicContact CG-CE2 3.9Å; L347-V421 HydrophobicContact CD1-CG2 4.49Å; L347-N422 WeakPolarHBondContact CD2-ND2 3.45Å; L347-N422 VanDerWaalsContact CD2-OD1 3.23Å; L347-N422 WeakPolarHBondContact CD2-OD1 3.28Å |
| 348 | F | 96.6 | Very high | 97 | Very high | 12 Ų | 12 | 29.3 Ų | 29.3 | 5% | 0.053 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63 | -36.2 | 174.3 | -179.1 | -98 | 0 | 0 | 0 | 111.7 | I247 F251 T316 V320 F344 F346 G352 V380 | I247-F348 HydrophobicContact CD1-CD2 4.42Å; I247-F348 HydrophobicContact CD1-CE2 4.41Å; I247-F348 HydrophobicContact CG1-CD2 4.36Å; I247-F348 HydrophobicContact CG1-CE2 3.87Å; F251-F348 HydrophobicContact CE1-CD1 4.45Å; F251-F348 HydrophobicContact CE1-CD2 4.36Å; F251-F348 AromaticContact CE1-CE1 3.87Å; F251-F348 HydrophobicContact CE1-CE1 3.87Å; F251-F348 AromaticContact CE1-CE2 3.76Å; F251-F348 HydrophobicContact CE1-CE2 3.76Å; F251-F348 AromaticContact CE1-CZ 3.5Å; F251-F348 HydrophobicContact CE1-CZ 3.5Å; F251-F348 HydrophobicContact CZ-CE1 4.1Å; F251-F348 AromaticContact CZ-CE2 3.88Å; F251-F348 HydrophobicContact CZ-CE2 3.88Å; F251-F348 AromaticContact CZ-CZ 3.44Å; F251-F348 HydrophobicContact CZ-CZ 3.44Å; F251-F348 VanDerWaalsContact CZ-CZ 3.44Å; T316-F348 HydrophobicContact CG2-CE1 3.51Å; T316-F348 HydrophobicContact CG2-CZ 3.89Å; V320-F348 HydrophobicContact CG2-CD1 4.5Å; F344-F348 HydrophobicContact CE1-CB 4.28Å; F344-F348 HydrophobicContact CE1-CG 4.34Å; F344-F348 HydrophobicContact CZ-CB 4.28Å; F344-F348 HydrophobicContact CZ-CD2 4.25Å; F344-F348 HydrophobicContact CZ-CG 4.12Å; F344-F348 WeakPolarHBondContact O-CB 3.34Å; F344-F348 PolarHBondContact O-N 3.3Å; F346-F348 PolarHBondContact O-N 2.91Å; F348-G352 PolarHBondContact O-N 3.39Å; F348-V380 HydrophobicContact CD2-CG1 4.36Å; F348-V380 HydrophobicContact CE2-CG1 3.92Å |
| 349 | T | 96.8 | Very high | 97.1 | Very high | 50 Ų | 50 | 29.3 Ų | 29.3 | 31% | 0.307 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -69.2 | -43 | 174.8 | -62.9 | 0 | 0 | 0 | 0 | 111.5 | I345 F346 L347 G351 G352 L353 | I345-T349 WeakPolarHBondContact O-CB 3.17Å; I345-T349 PolarHBondContact O-N 2.86Å; I345-T349 VanDerWaalsContact O-N 3.17Å; I345-T349 PolarHBondContact O-OG1 3.07Å; F346-T349 PolarHBondContact O-N 3.47Å; F346-T349 VanDerWaalsContact O-N 3.15Å; L347-T349 VanDerWaalsContact C-N 3.28Å; L347-T349 PolarHBondContact O-N 2.79Å; T349-G351 PolarHBondContact O-N 3.15Å; T349-G352 PolarHBondContact O-N 2.95Å; T349-L353 HydrophobicContact CG2-CD1 4.49Å; T349-L353 WeakPolarHBondContact O-CG 3.46Å; T349-L353 PolarHBondContact O-N 2.92Å |
| 350 | V | 96.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 29.8 Ų | 29.8 | 21% | 0.206 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -58.4 | -47.4 | 174.1 | 173.8 | 0 | 0 | 0 | 0 | 110.9 | F346 L347 G352 L353 T354 Y379 | F346-V350 HydrophobicContact CE1-CG2 4.34Å; F346-V350 HydrophobicContact CE2-CG2 4.2Å; F346-V350 HydrophobicContact CZ-CG2 4.05Å; F346-V350 PolarHBondContact O-N 3.01Å; L347-V350 PolarHBondContact O-N 3Å; V350-G352 PolarHBondContact O-N 3.45Å; V350-L353 PolarHBondContact O-N 3.41Å; V350-T354 PolarHBondContact O-N 3.05Å; V350-Y379 HydrophobicContact CB-CD1 4.19Å; V350-Y379 HydrophobicContact CB-CE1 4.31Å; V350-Y379 HydrophobicContact CG1-CD1 4.01Å; V350-Y379 HydrophobicContact CG1-CE1 3.92Å |
| 351 | G | 96 | Very high | 97 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.4 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | L347 T349 L353 T354 G355 H376 | L347-G351 PolarHBondContact O-N 3.21Å; T349-G351 PolarHBondContact O-N 3.15Å; G351-L353 VanDerWaalsContact C-N 3.33Å; G351-L353 PolarHBondContact O-N 3.07Å; G351-T354 PolarHBondContact O-N 2.94Å; G351-T354 PolarHBondContact O-OG1 3.37Å; G351-G355 PolarHBondContact O-N 3.34Å; G351-H376 PolarHBondContact O-CE1 3.39Å; G351-H376 PolarHBondContact O-ND1 2.9Å |
| 352 | G | 95.5 | Very high | 96.9 | Very high | 25 Ų | 25 | 34.3 Ų | 34.3 | 26% | 0.258 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | F348 T349 V350 G355 I356 | F348-G352 PolarHBondContact O-N 3.39Å; T349-G352 PolarHBondContact O-N 2.95Å; V350-G352 PolarHBondContact O-N 3.45Å; G352-G355 WeakPolarHBondContact O-CA 3.21Å; G352-G355 PolarHBondContact O-N 3.48Å; G352-G355 VanDerWaalsContact O-N 3.17Å; G352-I356 WeakPolarHBondContact O-CG1 3.32Å; G352-I356 PolarHBondContact O-N 3.35Å |
| 353 | L | 96.2 | Very high | 96.9 | Very high | 108 Ų | 108 | 36 Ų | 36 | 57% | 0.565 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -64.6 | -41.9 | 177.3 | -68.8 | 173.9 | 0 | 0 | 0 | 112.2 | T349 V350 G351 G355 I356 V357 | T349-L353 HydrophobicContact CG2-CD1 4.49Å; T349-L353 WeakPolarHBondContact O-CG 3.46Å; T349-L353 PolarHBondContact O-N 2.92Å; V350-L353 PolarHBondContact O-N 3.41Å; G351-L353 VanDerWaalsContact C-N 3.33Å; G351-L353 PolarHBondContact O-N 3.07Å; L353-G355 PolarHBondContact O-N 2.97Å; L353-I356 HydrophobicContact CD2-CD1 4.41Å; L353-I356 PolarHBondContact O-N 2.97Å; L353-V357 PolarHBondContact O-N 3.15Å |
| 354 | T | 97.3 | Very high | 96.8 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69 | -26.3 | 174.7 | 62.6 | 0 | 0 | 0 | 0 | 112.1 | V350 G351 V357 L358 H376 | V350-T354 PolarHBondContact O-N 3.05Å; G351-T354 PolarHBondContact O-N 2.94Å; G351-T354 PolarHBondContact O-OG1 3.37Å; T354-V357 WeakPolarHBondContact O-CB 3.31Å; T354-V357 PolarHBondContact O-N 2.86Å; T354-L358 PolarHBondContact O-N 3.12Å; T354-H376 PolarHBondContact OG1-ND1 3.02Å; T354-H376 VanDerWaalsContact OG1-ND1 3.14Å |
| 355 | G | 96.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 40.6 Ų | 40.6 | 16% | 0.155 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -35.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G351 G352 L353 V357 L358 A359 H376 | G351-G355 PolarHBondContact O-N 3.34Å; G352-G355 WeakPolarHBondContact O-CA 3.21Å; G352-G355 PolarHBondContact O-N 3.48Å; G352-G355 VanDerWaalsContact O-N 3.17Å; L353-G355 PolarHBondContact O-N 2.97Å; G355-V357 PolarHBondContact O-N 2.87Å; G355-L358 CarbonylContact O-C 3.53Å; G355-L358 PolarHBondContact O-N 3.31Å; G355-A359 WeakPolarHBondContact O-CB 3.46Å; G355-A359 PolarHBondContact O-N 3.18Å; G355-H376 WeakPolarHBondContact CA-CE1 3.4Å; G355-H376 VanDerWaalsContact CA-ND1 3.34Å; G355-H376 WeakPolarHBondContact CA-ND1 3.36Å; G355-H376 PolarHBondContact N-CE1 3.08Å; G355-H376 PolarHBondContact N-ND1 3.02Å |
| 356 | I | 96.4 | Very high | 96.6 | Very high | 68 Ų | 68 | 45.4 Ų | 45.4 | 35% | 0.349 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.2 | -34.6 | 174.3 | -65.1 | 168.4 | 0 | 0 | 0 | 110.7 | A313 G352 L353 A359 | A313-I356 HydrophobicContact CB-CD1 3.81Å; A313-I356 HydrophobicContact CB-CG1 4.1Å; G352-I356 WeakPolarHBondContact O-CG1 3.32Å; G352-I356 PolarHBondContact O-N 3.35Å; L353-I356 HydrophobicContact CD2-CD1 4.41Å; L353-I356 PolarHBondContact O-N 2.97Å; I356-A359 PolarHBondContact O-N 3.36Å |
| 357 | V | 97.6 | Very high | 96.6 | Very high | 49 Ų | 49 | 40.7 Ų | 40.7 | 30% | 0.297 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.5 | -48 | 173.4 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | L353 T354 G355 A359 N360 L363 L367 Y372 | L353-V357 PolarHBondContact O-N 3.15Å; T354-V357 WeakPolarHBondContact O-CB 3.31Å; T354-V357 PolarHBondContact O-N 2.86Å; G355-V357 PolarHBondContact O-N 2.87Å; V357-A359 VanDerWaalsContact C-N 3.29Å; V357-A359 PolarHBondContact O-N 3.34Å; V357-N360 WeakPolarHBondContact O-CB 3.38Å; V357-N360 PolarHBondContact O-N 3.11Å; V357-L363 HydrophobicContact CG1-CD1 3.88Å; V357-L367 HydrophobicContact CG1-CD1 3.83Å; V357-Y372 HydrophobicContact CB-CE1 4.4Å; V357-Y372 HydrophobicContact CG1-CE1 4.37Å |
| 358 | L | 97.5 | Very high | 96.6 | Very high | 17 Ų | 17 | 42.4 Ų | 42.4 | 9% | 0.089 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.7 | -24.5 | 178.1 | -69.5 | 173.3 | 0 | 0 | 0 | 113.8 | T354 G355 N360 L367 Y372 V373 H376 | T354-L358 PolarHBondContact O-N 3.12Å; G355-L358 CarbonylContact O-C 3.53Å; G355-L358 PolarHBondContact O-N 3.31Å; L358-N360 PolarHBondContact O-N 3.12Å; L358-L367 HydrophobicContact CD2-CB 3.82Å; L358-L367 HydrophobicContact CD2-CD1 4.16Å; L358-Y372 HydrophobicContact CD1-CD1 4.01Å; L358-Y372 HydrophobicContact CD1-CE1 4.22Å; L358-Y372 HydrophobicContact CD2-CD1 3.71Å; L358-Y372 HydrophobicContact CD2-CE1 4.1Å; L358-Y372 HydrophobicContact CG-CD1 3.85Å; L358-Y372 HydrophobicContact CG-CE1 3.85Å; L358-V373 HydrophobicContact CD1-CB 4.38Å; L358-V373 HydrophobicContact CD1-CG2 3.99Å; L358-V373 HydrophobicContact CD2-CG2 3.74Å; L358-H376 HydrophobicContact CD1-CB 3.62Å |
| 359 | A | 97.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 45.1 Ų | 45.1 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T306 T309 M310 G355 I356 V357 S361 | T306-A359 WeakPolarHBondContact CA-O 2.99Å; T306-A359 WeakPolarHBondContact CG2-O 3.4Å; T309-A359 HydrophobicContact CG2-CB 3.59Å; M310-A359 HydrophobicContact CE-CB 4.41Å; M310-A359 HydrophobicContact CG-CB 3.87Å; G355-A359 WeakPolarHBondContact O-CB 3.46Å; G355-A359 PolarHBondContact O-N 3.18Å; I356-A359 PolarHBondContact O-N 3.36Å; V357-A359 VanDerWaalsContact C-N 3.29Å; V357-A359 PolarHBondContact O-N 3.34Å; A359-S361 PolarHBondContact O-N 3.01Å |
| 360 | N | 97.6 | Very high | 96.7 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 26% | 0.257 | 25% | 0.252 | S | S | . | . | trans | -83.3 | 110.4 | 177.3 | -172.1 | -56.4 | 0 | 0 | 0 | 111 | M310 V357 L358 S362 L363 D364 | M310-N360 HydrophobicContact CE-CB 3.71Å; V357-N360 WeakPolarHBondContact O-CB 3.38Å; V357-N360 PolarHBondContact O-N 3.11Å; L358-N360 PolarHBondContact O-N 3.12Å; N360-S362 PolarHBondContact O-N 2.95Å; N360-S362 VanDerWaalsContact O-N 3.12Å; N360-S362 WeakPolarHBondContact OD1-CA 3.37Å; N360-S362 VanDerWaalsContact OD1-CB 3.32Å; N360-S362 WeakPolarHBondContact OD1-CB 3.39Å; N360-S362 PolarHBondContact OD1-N 3.47Å; N360-L363 HydrophobicContact CB-CB 4.2Å; N360-L363 HydrophobicContact CB-CD1 4.1Å; N360-L363 HydrophobicContact CB-CG 4.17Å; N360-L363 PolarHBondContact O-N 3.22Å; N360-L363 VanDerWaalsContact O-N 3.07Å; N360-L363 PolarHBondContact OD1-N 3.3Å; N360-D364 WeakPolarHBondContact O-CB 3.49Å; N360-D364 PolarHBondContact O-N 3.2Å | ||
| 361 | S | 96.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 42 Ų | 42 | 9% | 0.091 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -56.9 | -28.3 | -179.6 | 56.5 | 0 | 0 | 0 | 0 | 115.4 | T306 A359 I365 | T306-S361 VanDerWaalsContact OG1-CB 3.31Å; T306-S361 WeakPolarHBondContact OG1-CB 3.44Å; T306-S361 PolarHBondContact OG1-N 2.9Å; T306-S361 PolarHBondContact OG1-OG 3.14Å; A359-S361 PolarHBondContact O-N 3.01Å; S361-I365 WeakPolarHBondContact O-CG1 3.48Å; S361-I365 PolarHBondContact O-N 3.48Å |
| 362 | S | 95.7 | Very high | 96.9 | Very high | 82 Ų | 82 | 42.9 Ų | 42.9 | 57% | 0.573 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -75.1 | -36.8 | 177.2 | -58.3 | 0 | 0 | 0 | 0 | 112.4 | N360 | N360-S362 PolarHBondContact O-N 2.95Å; N360-S362 VanDerWaalsContact O-N 3.12Å; N360-S362 WeakPolarHBondContact OD1-CA 3.37Å; N360-S362 VanDerWaalsContact OD1-CB 3.32Å; N360-S362 WeakPolarHBondContact OD1-CB 3.39Å; N360-S362 PolarHBondContact OD1-N 3.47Å |
| 363 | L | 96.8 | Very high | 97 | Very high | 85 Ų | 85 | 43 Ų | 43 | 45% | 0.445 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -77.5 | -36.9 | 176.2 | -63.5 | 178.9 | 0 | 0 | 0 | 111.2 | V357 N360 I365 V366 L367 | V357-L363 HydrophobicContact CG1-CD1 3.88Å; N360-L363 HydrophobicContact CB-CB 4.2Å; N360-L363 HydrophobicContact CB-CD1 4.1Å; N360-L363 HydrophobicContact CB-CG 4.17Å; N360-L363 PolarHBondContact O-N 3.22Å; N360-L363 VanDerWaalsContact O-N 3.07Å; N360-L363 PolarHBondContact OD1-N 3.3Å; L363-I365 PolarHBondContact O-N 3.48Å; L363-V366 PolarHBondContact O-N 2.95Å; L363-V366 VanDerWaalsContact O-N 3.09Å; L363-L367 PolarHBondContact O-N 2.81Å |
| 364 | D | 96.4 | Very high | 97 | Very high | 7 Ų | 7 | 39.3 Ų | 39.3 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -34.5 | 179.3 | -167.5 | 64.4 | 0 | 0 | 0 | 111.2 | F293 N360 V366 L367 H368 | F293-D364 HydrophobicContact CB-CB 4.45Å; F293-D364 HydrophobicContact CD2-CB 3.76Å; N360-D364 WeakPolarHBondContact O-CB 3.49Å; N360-D364 PolarHBondContact O-N 3.2Å; D364-V366 PolarHBondContact O-N 3.34Å; D364-L367 CarbonylContact O-C 3.59Å; D364-L367 PolarHBondContact O-N 2.94Å; D364-H368 WeakPolarHBondContact O-CA 3.27Å; D364-H368 WeakPolarHBondContact O-CB 3.37Å; D364-H368 PolarHBondContact O-N 3.11Å; D364-H368 IonicContact OD1-ND1 3.63Å; D364-H368 IonicContact OD2-CE1 2.99Å; D364-H368 IonicContact OD2-CG 3.84Å; D364-H368 IonicContact OD2-ND1 2.61Å; D364-H368 PolarHBondContact OD2-ND1 3.35Å |
| 365 | I | 94.5 | Very high | 97.1 | Very high | 93 Ų | 93 | 38.5 Ų | 38.5 | 48% | 0.477 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -49.2 | -36.5 | 175.5 | -68.8 | 162.9 | 0 | 0 | 0 | 113.2 | S361 L363 | S361-I365 WeakPolarHBondContact O-CG1 3.48Å; S361-I365 PolarHBondContact O-N 3.48Å; L363-I365 PolarHBondContact O-N 3.48Å |
| 366 | V | 96.5 | Very high | 97.1 | Very high | 110 Ų | 110 | 39.4 Ų | 39.4 | 67% | 0.667 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -92.8 | -23.8 | -178.1 | -159.8 | 0 | 0 | 0 | 0 | 112.2 | L363 D364 | L363-V366 PolarHBondContact O-N 2.95Å; L363-V366 VanDerWaalsContact O-N 3.09Å; D364-V366 PolarHBondContact O-N 3.34Å |
| 367 | L | 97.7 | Very high | 97.1 | Very high | 16 Ų | 16 | 38.7 Ų | 38.7 | 8% | 0.084 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -100.6 | -15.6 | -175.7 | -60.8 | 177.2 | 0 | 0 | 0 | 113.3 | V357 L358 L363 D364 T370 Y372 V373 L433 | V357-L367 HydrophobicContact CG1-CD1 3.83Å; L358-L367 HydrophobicContact CD2-CB 3.82Å; L358-L367 HydrophobicContact CD2-CD1 4.16Å; L363-L367 PolarHBondContact O-N 2.81Å; D364-L367 CarbonylContact O-C 3.59Å; D364-L367 PolarHBondContact O-N 2.94Å; L367-T370 WeakPolarHBondContact O-CB 3.31Å; L367-T370 WeakPolarHBondContact O-CG2 3.38Å; L367-T370 PolarHBondContact O-N 3.1Å; L367-T370 VanDerWaalsContact O-N 3.13Å; L367-T370 PolarHBondContact O-OG1 2.83Å; L367-Y372 HydrophobicContact CD1-CD1 4.03Å; L367-Y372 HydrophobicContact CD1-CE1 4.13Å; L367-Y372 HydrophobicContact CD1-CG 4.27Å; L367-Y372 HydrophobicContact CD2-CD2 4.3Å; L367-Y372 HydrophobicContact CD2-CG 4.13Å; L367-V373 WeakPolarHBondContact O-CG2 3.45Å; L367-L433 HydrophobicContact CD2-CD2 4.04Å |
| 368 | H | 97.7 | Very high | 97 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 17% | 0.167 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 139.1 | -178.9 | -159.3 | 88.4 | 0 | 0 | 0 | 109.9 | H291 T294 D364 T370 | H291-H368 PolarHBondContact O-CE1 2.81Å; T294-H368 HydrophobicContact CG2-CB 3.5Å; T294-H368 VanDerWaalsContact CG2-CG 3.45Å; T294-H368 PolarHBondContact OG1-CD2 3.36Å; T294-H368 VanDerWaalsContact OG1-CD2 3.3Å; T294-H368 PolarHBondContact OG1-NE2 2.95Å; D364-H368 WeakPolarHBondContact O-CA 3.27Å; D364-H368 WeakPolarHBondContact O-CB 3.37Å; D364-H368 PolarHBondContact O-N 3.11Å; D364-H368 IonicContact OD1-ND1 3.63Å; D364-H368 IonicContact OD2-CE1 2.99Å; D364-H368 IonicContact OD2-CG 3.84Å; D364-H368 IonicContact OD2-ND1 2.61Å; D364-H368 PolarHBondContact OD2-ND1 3.35Å; H368-T370 PolarHBondContact O-N 2.97Å |
| 369 | D | 96.3 | Very high | 96.9 | Very high | 70 Ų | 70 | 37.6 Ų | 37.6 | 37% | 0.374 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 16.9 | -177.1 | -70.6 | -36.5 | 0 | 0 | 0 | 115.7 | P437 R438 | D369-P437 CarbonylContact O-C 3.59Å; D369-P437 WeakPolarHBondContact O-CA 3.12Å; D369-R438 HydrophobicContact CB-CG 4.42Å; D369-R438 VanDerWaalsContact O-CG 3.27Å; D369-R438 WeakPolarHBondContact O-CG 3.49Å; D369-R438 PolarHBondContact O-N 3.27Å; D369-R438 IonicContact OD1-CZ 2.79Å; D369-R438 IonicContact OD1-NE 3.74Å; D369-R438 PolarHBondContact OD1-NE 2.61Å; D369-R438 IonicContact OD1-NH2 2.74Å; D369-R438 PolarHBondContact OD1-NH2 3.32Å |
| 370 | T | 98.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 6% | 0.055 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -95.4 | 172.1 | 172 | 75.2 | 0 | 0 | 0 | 0 | 112 | L367 H368 Y372 V373 M436 | L367-T370 WeakPolarHBondContact O-CB 3.31Å; L367-T370 WeakPolarHBondContact O-CG2 3.38Å; L367-T370 PolarHBondContact O-N 3.1Å; L367-T370 VanDerWaalsContact O-N 3.13Å; L367-T370 PolarHBondContact O-OG1 2.83Å; H368-T370 PolarHBondContact O-N 2.97Å; T370-Y372 PolarHBondContact O-N 3.5Å; T370-Y372 VanDerWaalsContact O-N 3.12Å; T370-Y372 WeakPolarHBondContact OG1-CB 3.38Å; T370-Y372 PolarHBondContact OG1-N 2.9Å; T370-Y372 VanDerWaalsContact OG1-N 3.11Å; T370-V373 PolarHBondContact O-N 2.86Å; T370-M436 CarbonylContact C-O 3.42Å; T370-M436 VanDerWaalsContact CA-O 3.26Å; T370-M436 WeakPolarHBondContact CA-O 3.32Å; T370-M436 WeakPolarHBondContact CB-O 3.36Å |
| 371 | Y | 98.1 | Very high | 96 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 4% | 0.039 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -11.6 | 169.7 | -88.3 | -103.1 | 0 | 0 | 0 | 114.1 | L41 V374 A375 Q428 L431 M436 P437 | L41-Y371 WeakPolarHBondContact CD1-OH 3.38Å; Y371-V374 PolarHBondContact O-N 3.2Å; Y371-A375 WeakPolarHBondContact O-CB 3.3Å; Y371-A375 PolarHBondContact O-N 3.31Å; Y371-Q428 CarbonylContact C-O 3.46Å; Y371-Q428 WeakPolarHBondContact CB-O 3.49Å; Y371-Q428 HydrophobicContact CD1-CB 4.12Å; Y371-Q428 HydrophobicContact CD1-CG 3.92Å; Y371-L431 HydrophobicContact CD1-CD1 4.31Å; Y371-L431 HydrophobicContact CG-CB 4.27Å; Y371-M436 HydrophobicContact CD2-CB 4.11Å; Y371-M436 HydrophobicContact CD2-CE 4.2Å; Y371-M436 HydrophobicContact CD2-CG 3.68Å; Y371-M436 HydrophobicContact CD2-SD 3.83Å; Y371-M436 HydrophobicContact CE2-CE 3.54Å; Y371-M436 HydrophobicContact CE2-CG 3.89Å; Y371-M436 HydrophobicContact CE2-SD 3.8Å; Y371-M436 HydrophobicContact CG-SD 4.35Å; Y371-M436 PolarHBondContact N-O 3.11Å; Y371-P437 WeakPolarHBondContact CE2-O 3.13Å |
| 372 | Y | 98.4 | Very high | 95 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 7% | 0.067 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -44.6 | 175.3 | -167 | -85 | 0 | 0 | 0 | 110.6 | V357 L358 L367 T370 V374 A375 H376 H429 G432 L433 | V357-Y372 HydrophobicContact CB-CE1 4.4Å; V357-Y372 HydrophobicContact CG1-CE1 4.37Å; L358-Y372 HydrophobicContact CD1-CD1 4.01Å; L358-Y372 HydrophobicContact CD1-CE1 4.22Å; L358-Y372 HydrophobicContact CD2-CD1 3.71Å; L358-Y372 HydrophobicContact CD2-CE1 4.1Å; L358-Y372 HydrophobicContact CG-CD1 3.85Å; L358-Y372 HydrophobicContact CG-CE1 3.85Å; L367-Y372 HydrophobicContact CD1-CD1 4.03Å; L367-Y372 HydrophobicContact CD1-CE1 4.13Å; L367-Y372 HydrophobicContact CD1-CG 4.27Å; L367-Y372 HydrophobicContact CD2-CD2 4.3Å; L367-Y372 HydrophobicContact CD2-CG 4.13Å; T370-Y372 PolarHBondContact O-N 3.5Å; T370-Y372 VanDerWaalsContact O-N 3.12Å; T370-Y372 WeakPolarHBondContact OG1-CB 3.38Å; T370-Y372 PolarHBondContact OG1-N 2.9Å; T370-Y372 VanDerWaalsContact OG1-N 3.11Å; Y372-V374 VanDerWaalsContact C-N 3.32Å; Y372-A375 PolarHBondContact O-N 3.29Å; Y372-H376 WeakPolarHBondContact O-CB 3.43Å; Y372-H376 PolarHBondContact O-N 2.84Å; Y372-H429 HydrophobicContact CD2-CB 4.31Å; Y372-H429 HydrophobicContact CE2-CB 4.41Å; Y372-H429 AromaticContact CE2-CD2 3.93Å; Y372-G432 VanDerWaalsContact N-CA 3.31Å; Y372-L433 HydrophobicContact CD2-CD2 4.06Å; Y372-L433 HydrophobicContact CD2-CG 3.91Å; Y372-L433 HydrophobicContact CE2-CD1 4.46Å; Y372-L433 HydrophobicContact CE2-CD2 4.02Å; Y372-L433 HydrophobicContact CE2-CG 4.09Å |
| 373 | V | 97.8 | Very high | 94.3 | Very high | 29 Ų | 29 | 34.5 Ų | 34.5 | 18% | 0.176 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.6 | -39.1 | 176.1 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | L358 L367 T370 F377 | L358-V373 HydrophobicContact CD1-CB 4.38Å; L358-V373 HydrophobicContact CD1-CG2 3.99Å; L358-V373 HydrophobicContact CD2-CG2 3.74Å; L367-V373 WeakPolarHBondContact O-CG2 3.45Å; T370-V373 PolarHBondContact O-N 2.86Å; V373-F377 WeakPolarHBondContact O-CB 3.46Å; V373-F377 PolarHBondContact O-N 2.83Å |
| 374 | V | 97.8 | Very high | 93.8 | Very high | 30 Ų | 30 | 30.4 Ų | 30.4 | 18% | 0.182 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.6 | -48.5 | 175.5 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | Y371 Y372 F377 H378 R438 | Y371-V374 PolarHBondContact O-N 3.2Å; Y372-V374 VanDerWaalsContact C-N 3.32Å; V374-F377 PolarHBondContact O-N 3.25Å; V374-H378 PolarHBondContact O-N 2.91Å; V374-H378 PolarHBondContact O-ND1 3.46Å; V374-R438 HydrophobicContact CG2-CB 3.86Å |
| 375 | A | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -61.9 | -50.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y371 Y372 F377 H378 Y379 Q428 H429 | Y371-A375 WeakPolarHBondContact O-CB 3.3Å; Y371-A375 PolarHBondContact O-N 3.31Å; Y372-A375 PolarHBondContact O-N 3.29Å; A375-F377 VanDerWaalsContact C-N 3.33Å; A375-F377 PolarHBondContact O-N 2.96Å; A375-H378 PolarHBondContact O-N 3.47Å; A375-Y379 WeakPolarHBondContact O-CD2 3.46Å; A375-Y379 PolarHBondContact O-N 2.74Å; A375-Q428 HydrophobicContact CB-CB 3.76Å; A375-H429 WeakPolarHBondContact CB-NE2 3.23Å |
| 376 | H | 97.6 | Very high | 93.6 | Very high | 35 Ų | 35 | 26.5 Ų | 26.5 | 16% | 0.162 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.2 | -52.9 | 175.7 | 166.2 | 62.5 | 0 | 0 | 0 | 111.4 | G351 T354 G355 L358 Y372 H378 Y379 V380 | G351-H376 PolarHBondContact O-CE1 3.39Å; G351-H376 PolarHBondContact O-ND1 2.9Å; T354-H376 PolarHBondContact OG1-ND1 3.02Å; T354-H376 VanDerWaalsContact OG1-ND1 3.14Å; G355-H376 WeakPolarHBondContact CA-CE1 3.4Å; G355-H376 VanDerWaalsContact CA-ND1 3.34Å; G355-H376 WeakPolarHBondContact CA-ND1 3.36Å; G355-H376 PolarHBondContact N-CE1 3.08Å; G355-H376 PolarHBondContact N-ND1 3.02Å; L358-H376 HydrophobicContact CD1-CB 3.62Å; Y372-H376 WeakPolarHBondContact O-CB 3.43Å; Y372-H376 PolarHBondContact O-N 2.84Å; H376-H378 VanDerWaalsContact C-N 3.34Å; H376-H378 PolarHBondContact O-N 3.28Å; H376-Y379 PolarHBondContact O-N 3.17Å; H376-Y379 VanDerWaalsContact O-N 3.17Å; H376-V380 PolarHBondContact O-N 3.04Å |
| 377 | F | 94.8 | Very high | 93.6 | Very high | 53 Ų | 53 | 21.3 Ų | 21.3 | 23% | 0.232 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | -176.8 | -170 | -116.9 | 0 | 0 | 0 | 112.2 | V243 V373 V374 A375 V380 L381 | V243-F377 HydrophobicContact CB-CE2 4.11Å; V243-F377 HydrophobicContact CG1-CE2 3.43Å; V243-F377 VanDerWaalsContact CG1-CE2 3.43Å; V243-F377 HydrophobicContact CG1-CZ 3.82Å; V373-F377 WeakPolarHBondContact O-CB 3.46Å; V373-F377 PolarHBondContact O-N 2.83Å; V374-F377 PolarHBondContact O-N 3.25Å; A375-F377 VanDerWaalsContact C-N 3.33Å; A375-F377 PolarHBondContact O-N 2.96Å; F377-V380 PolarHBondContact O-N 3.39Å; F377-L381 HydrophobicContact CD1-CB 4.43Å; F377-L381 HydrophobicContact CD1-CD2 4.3Å; F377-L381 HydrophobicContact CD2-CB 4.5Å; F377-L381 HydrophobicContact CE1-CB 4.14Å; F377-L381 HydrophobicContact CE1-CD2 3.43Å; F377-L381 VanDerWaalsContact CE1-CD2 3.43Å; F377-L381 HydrophobicContact CE1-CG 4.36Å; F377-L381 HydrophobicContact CE2-CB 4.18Å; F377-L381 HydrophobicContact CZ-CB 4.02Å; F377-L381 HydrophobicContact CZ-CD2 3.57Å; F377-L381 HydrophobicContact CZ-CG 4.24Å; F377-L381 WeakPolarHBondContact O-CA 3.33Å; F377-L381 WeakPolarHBondContact O-CB 3.49Å; F377-L381 PolarHBondContact O-N 3.16Å |
| 378 | H | 97 | Very high | 93.6 | Very high | 42 Ų | 42 | 20.6 Ų | 20.6 | 19% | 0.194 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -71.7 | -30.4 | 174.4 | -74 | 84.3 | 0 | 0 | 0 | 112.8 | V374 A375 H376 S382 M383 F425 | V374-H378 PolarHBondContact O-N 2.91Å; V374-H378 PolarHBondContact O-ND1 3.46Å; A375-H378 PolarHBondContact O-N 3.47Å; H376-H378 VanDerWaalsContact C-N 3.34Å; H376-H378 PolarHBondContact O-N 3.28Å; H378-S382 CarbonylContact O-C 3.59Å; H378-S382 VanDerWaalsContact O-CA 3.28Å; H378-S382 WeakPolarHBondContact O-CA 3.39Å; H378-S382 WeakPolarHBondContact O-CB 3.49Å; H378-S382 PolarHBondContact O-N 3.46Å; H378-M383 PolarHBondContact O-N 3.34Å; H378-F425 HydrophobicContact CB-CB 4.45Å; H378-F425 HydrophobicContact CB-CD1 3.38Å; H378-F425 HydrophobicContact CB-CD2 4.07Å; H378-F425 HydrophobicContact CB-CE1 3.48Å; H378-F425 VanDerWaalsContact CB-CE1 3.48Å; H378-F425 HydrophobicContact CB-CE2 4.13Å; H378-F425 HydrophobicContact CB-CG 3.7Å; H378-F425 HydrophobicContact CB-CZ 3.86Å; H378-F425 AromaticContact CD2-CE1 3.15Å; H378-F425 WeakPolarHBondContact CD2-CE1 3.39Å; H378-F425 AromaticContact CD2-CZ 3.27Å; H378-F425 WeakPolarHBondContact CD2-CZ 3.45Å; H378-F425 AromaticContact CG-CD1 3.6Å; H378-F425 AromaticContact CG-CE1 3.22Å; H378-F425 AromaticContact CG-CZ 3.71Å; H378-F425 AromaticContact ND1-CE1 3.89Å; H378-F425 AromaticContact NE2-CE1 3.8Å |
| 379 | Y | 95.4 | Very high | 93.7 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 0% | 0.004 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66 | -36.7 | 169.8 | -91.3 | -94 | 0 | 0 | 0 | 112.8 | L347 V350 A375 H376 M383 G384 N422 F425 F426 H429 | L347-Y379 HydrophobicContact CB-CD1 4.26Å; L347-Y379 HydrophobicContact CD2-CD1 4.35Å; L347-Y379 HydrophobicContact CD2-CE1 3.75Å; V350-Y379 HydrophobicContact CB-CD1 4.19Å; V350-Y379 HydrophobicContact CB-CE1 4.31Å; V350-Y379 HydrophobicContact CG1-CD1 4.01Å; V350-Y379 HydrophobicContact CG1-CE1 3.92Å; A375-Y379 WeakPolarHBondContact O-CD2 3.46Å; A375-Y379 PolarHBondContact O-N 2.74Å; H376-Y379 PolarHBondContact O-N 3.17Å; H376-Y379 VanDerWaalsContact O-N 3.17Å; Y379-M383 HydrophobicContact CD1-CE 3.54Å; Y379-M383 HydrophobicContact CD1-SD 3.49Å; Y379-M383 WeakPolarHBondContact CD1-SD 3.45Å; Y379-M383 HydrophobicContact CD2-CE 3.21Å; Y379-M383 HydrophobicContact CD2-SD 4.29Å; Y379-M383 HydrophobicContact CE1-CE 3.61Å; Y379-M383 HydrophobicContact CE1-SD 3.43Å; Y379-M383 WeakPolarHBondContact CE1-SD 3.47Å; Y379-M383 HydrophobicContact CE2-CE 3.29Å; Y379-M383 HydrophobicContact CE2-SD 4.24Å; Y379-M383 HydrophobicContact CG-CE 3.32Å; Y379-M383 HydrophobicContact CG-SD 3.93Å; Y379-M383 VanDerWaalsContact CZ-CE 3.47Å; Y379-M383 WeakPolarHBondContact O-CB 3.35Å; Y379-G384 PolarHBondContact O-N 2.87Å; Y379-N422 PolarHBondContact OH-OD1 2.95Å; Y379-F425 HydrophobicContact CD2-CB 4.08Å; Y379-F425 HydrophobicContact CE2-CB 3.74Å; Y379-F426 WeakPolarHBondContact OH-CB 3.45Å; Y379-H429 AromaticContact CD2-CE1 3.53Å; Y379-H429 AromaticContact CE2-CE1 3.52Å |
| 380 | V | 92.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 17.3 Ų | 17.3 | 19% | 0.188 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -84 | -41.9 | -179.9 | 179.2 | 0 | 0 | 0 | 0 | 112.3 | F348 H376 F377 G384 | F348-V380 HydrophobicContact CD2-CG1 4.36Å; F348-V380 HydrophobicContact CE2-CG1 3.92Å; H376-V380 PolarHBondContact O-N 3.04Å; F377-V380 PolarHBondContact O-N 3.39Å; V380-G384 WeakPolarHBondContact O-CA 3.22Å; V380-G384 PolarHBondContact O-N 2.99Å |
| 381 | L | 83 | Confident | 93.7 | Very high | 24 Ų | 24 | 16.9 Ų | 16.9 | 13% | 0.126 | 9% | 0.088 | C | C | . | . | I | π-helix | trans | -88.5 | -59.2 | -178.6 | -175.3 | 71.2 | 0 | 0 | 0 | 112.3 | I66 L246 F377 A385 | I66-L381 HydrophobicContact CG1-CD2 4.11Å; L246-L381 HydrophobicContact CB-CD1 3.66Å; L246-L381 HydrophobicContact CD1-CD1 3.64Å; L246-L381 HydrophobicContact CG-CD1 4.22Å; F377-L381 HydrophobicContact CD1-CB 4.43Å; F377-L381 HydrophobicContact CD1-CD2 4.3Å; F377-L381 HydrophobicContact CD2-CB 4.5Å; F377-L381 HydrophobicContact CE1-CB 4.14Å; F377-L381 HydrophobicContact CE1-CD2 3.43Å; F377-L381 VanDerWaalsContact CE1-CD2 3.43Å; F377-L381 HydrophobicContact CE1-CG 4.36Å; F377-L381 HydrophobicContact CE2-CB 4.18Å; F377-L381 HydrophobicContact CZ-CB 4.02Å; F377-L381 HydrophobicContact CZ-CD2 3.57Å; F377-L381 HydrophobicContact CZ-CG 4.24Å; F377-L381 WeakPolarHBondContact O-CA 3.33Å; F377-L381 WeakPolarHBondContact O-CB 3.49Å; F377-L381 PolarHBondContact O-N 3.16Å; L381-A385 HydrophobicContact CD1-CB 4.25Å; L381-A385 WeakPolarHBondContact O-CA 3.4Å; L381-A385 WeakPolarHBondContact O-CB 3.28Å; L381-A385 PolarHBondContact O-N 3.23Å |
| 382 | S | 74.9 | Confident | 93.7 | Very high | 26 Ų | 26 | 16.4 Ų | 16.4 | 18% | 0.182 | 9% | 0.086 | C | C | . | . | I | π-helix | trans | -66 | -54.6 | -178.4 | -174.8 | 0 | 0 | 0 | 0 | 110.4 | H378 G384 V386 | H378-S382 CarbonylContact O-C 3.59Å; H378-S382 VanDerWaalsContact O-CA 3.28Å; H378-S382 WeakPolarHBondContact O-CA 3.39Å; H378-S382 WeakPolarHBondContact O-CB 3.49Å; H378-S382 PolarHBondContact O-N 3.46Å; S382-G384 VanDerWaalsContact C-N 3.33Å; S382-G384 PolarHBondContact O-N 3.27Å; S382-V386 WeakPolarHBondContact O-CB 3.27Å; S382-V386 WeakPolarHBondContact O-CG2 3.09Å; S382-V386 PolarHBondContact O-N 3.37Å; S382-V386 VanDerWaalsContact O-N 3.15Å |
| 383 | M | 81 | Confident | 93.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | I | π-helix | trans | -80.5 | -11.5 | -179.3 | -65.4 | 173.5 | -110.4 | 0 | 0 | 114.5 | L347 H378 Y379 F387 V421 F425 | L347-M383 HydrophobicContact CB-CB 3.7Å; L347-M383 HydrophobicContact CB-CG 4.36Å; L347-M383 HydrophobicContact CB-SD 4.01Å; L347-M383 HydrophobicContact CD1-CB 3.85Å; L347-M383 HydrophobicContact CD1-CG 3.86Å; L347-M383 HydrophobicContact CD1-SD 3.72Å; L347-M383 HydrophobicContact CD2-SD 3.84Å; L347-M383 HydrophobicContact CG-CB 4.36Å; L347-M383 HydrophobicContact CG-SD 4.04Å; H378-M383 PolarHBondContact O-N 3.34Å; Y379-M383 HydrophobicContact CD1-CE 3.54Å; Y379-M383 HydrophobicContact CD1-SD 3.49Å; Y379-M383 WeakPolarHBondContact CD1-SD 3.45Å; Y379-M383 HydrophobicContact CD2-CE 3.21Å; Y379-M383 HydrophobicContact CD2-SD 4.29Å; Y379-M383 HydrophobicContact CE1-CE 3.61Å; Y379-M383 HydrophobicContact CE1-SD 3.43Å; Y379-M383 WeakPolarHBondContact CE1-SD 3.47Å; Y379-M383 HydrophobicContact CE2-CE 3.29Å; Y379-M383 HydrophobicContact CE2-SD 4.24Å; Y379-M383 HydrophobicContact CG-CE 3.32Å; Y379-M383 HydrophobicContact CG-SD 3.93Å; Y379-M383 VanDerWaalsContact CZ-CE 3.47Å; Y379-M383 WeakPolarHBondContact O-CB 3.35Å; M383-F387 HydrophobicContact CB-CD2 4.32Å; M383-F387 HydrophobicContact CB-CE2 4.41Å; M383-F387 HydrophobicContact CG-CE2 4.17Å; M383-F387 VanDerWaalsContact O-CB 3.26Å; M383-F387 WeakPolarHBondContact O-CB 3.31Å; M383-F387 WeakPolarHBondContact O-CG 3.41Å; M383-V421 HydrophobicContact CG-CB 4.17Å; M383-V421 HydrophobicContact CG-CG2 3.81Å; M383-V421 HydrophobicContact SD-CB 4.34Å; M383-V421 HydrophobicContact SD-CG2 3.86Å; M383-F425 HydrophobicContact CE-CB 3.64Å; M383-F425 HydrophobicContact CE-CD2 3.57Å; M383-F425 HydrophobicContact CE-CG 3.94Å |
| 384 | G | 86.1 | Confident | 93.7 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | I | π-helix | trans | -88.5 | -71.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I247 F344 Y379 V380 S382 V386 F387 A388 | I247-G384 VanDerWaalsContact CD1-C 3.47Å; F344-G384 WeakPolarHBondContact CD2-O 3.48Å; F344-G384 WeakPolarHBondContact CE2-O 3.35Å; Y379-G384 PolarHBondContact O-N 2.87Å; V380-G384 WeakPolarHBondContact O-CA 3.22Å; V380-G384 PolarHBondContact O-N 2.99Å; S382-G384 VanDerWaalsContact C-N 3.33Å; S382-G384 PolarHBondContact O-N 3.27Å; G384-V386 PolarHBondContact O-N 2.97Å; G384-F387 PolarHBondContact O-N 3.43Å; G384-A388 WeakPolarHBondContact O-CB 3.47Å; G384-A388 PolarHBondContact O-N 3.25Å |
| 385 | A | 92.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -64.1 | -46.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V70 M74 L246 I247 L381 F387 A388 I389 | V70-A385 HydrophobicContact CG1-CB 3.78Å; V70-A385 HydrophobicContact CG2-CB 4.49Å; M74-A385 HydrophobicContact CE-CB 4.34Å; L246-A385 VanDerWaalsContact O-CB 3.29Å; L246-A385 WeakPolarHBondContact O-CB 3.36Å; I247-A385 HydrophobicContact CD1-CB 4.36Å; L381-A385 HydrophobicContact CD1-CB 4.25Å; L381-A385 WeakPolarHBondContact O-CA 3.4Å; L381-A385 WeakPolarHBondContact O-CB 3.28Å; L381-A385 PolarHBondContact O-N 3.23Å; A385-F387 PolarHBondContact O-N 3.42Å; A385-A388 PolarHBondContact O-N 2.96Å; A385-I389 WeakPolarHBondContact O-CB 3.34Å; A385-I389 VanDerWaalsContact O-CG1 3.26Å; A385-I389 WeakPolarHBondContact O-CG1 3.35Å; A385-I389 PolarHBondContact O-N 3.46Å |
| 386 | V | 94.6 | Very high | 93.5 | Very high | 18 Ų | 18 | 15.4 Ų | 15.4 | 11% | 0.109 | 8% | 0.078 | C | C | . | . | I | π-helix | trans | -68.1 | -39 | -178.3 | -173.2 | 0 | 0 | 0 | 0 | 111.1 | M69 S382 G384 A388 I389 M390 | M69-V386 HydrophobicContact CE-CG1 4.3Å; M69-V386 HydrophobicContact CE-CG2 4.13Å; S382-V386 WeakPolarHBondContact O-CB 3.27Å; S382-V386 WeakPolarHBondContact O-CG2 3.09Å; S382-V386 PolarHBondContact O-N 3.37Å; S382-V386 VanDerWaalsContact O-N 3.15Å; G384-V386 PolarHBondContact O-N 2.97Å; V386-A388 VanDerWaalsContact C-N 3.34Å; V386-A388 PolarHBondContact O-N 3.02Å; V386-I389 WeakPolarHBondContact O-CB 3.33Å; V386-I389 PolarHBondContact O-N 2.84Å; V386-M390 HydrophobicContact CG1-CE 3.92Å; V386-M390 HydrophobicContact CG1-CG 4.23Å; V386-M390 VanDerWaalsContact O-CG 3.25Å; V386-M390 WeakPolarHBondContact O-CG 3.39Å; V386-M390 PolarHBondContact O-N 3.01Å |
| 387 | F | 97.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.4 | -85.4 | -120.3 | 0 | 0 | 0 | 112.1 | W340 F344 L347 M383 G384 A385 M390 G391 F414 M417 F418 V421 | W340-F387 HydrophobicContact CE3-CB 4.08Å; W340-F387 AromaticContact CE3-CD1 3.47Å; W340-F387 HydrophobicContact CE3-CD1 3.47Å; W340-F387 VanDerWaalsContact CE3-CD1 3.47Å; W340-F387 HydrophobicContact CE3-CD2 4.36Å; W340-F387 AromaticContact CE3-CE1 3.85Å; W340-F387 HydrophobicContact CE3-CE1 3.85Å; W340-F387 AromaticContact CE3-CG 3.74Å; W340-F387 HydrophobicContact CE3-CG 3.74Å; W340-F387 HydrophobicContact CE3-CZ 4.45Å; W340-F387 HydrophobicContact CZ3-CB 4.42Å; W340-F387 AromaticContact CZ3-CD1 3.71Å; W340-F387 HydrophobicContact CZ3-CD1 3.71Å; W340-F387 AromaticContact CZ3-CD2 3.92Å; W340-F387 HydrophobicContact CZ3-CD2 3.92Å; W340-F387 AromaticContact CZ3-CE1 3.75Å; W340-F387 HydrophobicContact CZ3-CE1 3.75Å; W340-F387 AromaticContact CZ3-CE2 3.98Å; W340-F387 HydrophobicContact CZ3-CE2 3.98Å; W340-F387 AromaticContact CZ3-CG 3.78Å; W340-F387 HydrophobicContact CZ3-CG 3.78Å; W340-F387 AromaticContact CZ3-CZ 3.9Å; W340-F387 HydrophobicContact CZ3-CZ 3.9Å; F344-F387 HydrophobicContact CB-CB 4.15Å; F344-F387 HydrophobicContact CD2-CB 4.4Å; L347-F387 HydrophobicContact CD1-CD1 4.22Å; L347-F387 HydrophobicContact CD1-CE1 3.68Å; L347-F387 HydrophobicContact CD1-CE2 4.23Å; L347-F387 HydrophobicContact CD1-CZ 3.68Å; M383-F387 HydrophobicContact CB-CD2 4.32Å; M383-F387 HydrophobicContact CB-CE2 4.41Å; M383-F387 HydrophobicContact CG-CE2 4.17Å; M383-F387 VanDerWaalsContact O-CB 3.26Å; M383-F387 WeakPolarHBondContact O-CB 3.31Å; M383-F387 WeakPolarHBondContact O-CG 3.41Å; G384-F387 PolarHBondContact O-N 3.43Å; A385-F387 PolarHBondContact O-N 3.42Å; F387-M390 PolarHBondContact O-N 3.05Å; F387-G391 PolarHBondContact O-N 2.96Å; F387-F414 HydrophobicContact CE1-CE2 4.09Å; F387-M417 HydrophobicContact CE2-CG 4.27Å; F387-M417 HydrophobicContact CZ-CG 4.33Å; F387-F418 AromaticContact CE1-CD2 3.98Å; F387-F418 HydrophobicContact CE1-CD2 3.98Å; F387-F418 HydrophobicContact CZ-CD2 4.33Å; F387-V421 HydrophobicContact CE2-CG1 4.47Å; F387-V421 HydrophobicContact CE2-CG2 3.96Å; F387-V421 HydrophobicContact CZ-CG2 3.9Å |
| 388 | A | 97.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G250 M253 I254 F344 G384 A385 V386 G392 | G250-A388 VanDerWaalsContact CA-CB 3.43Å; M253-A388 HydrophobicContact CE-CB 4.24Å; I254-A388 HydrophobicContact CD1-CB 4.21Å; I254-A388 HydrophobicContact CG1-CB 4.11Å; F344-A388 HydrophobicContact CD2-CB 4.07Å; F344-A388 HydrophobicContact CE2-CB 4.11Å; G384-A388 WeakPolarHBondContact O-CB 3.47Å; G384-A388 PolarHBondContact O-N 3.25Å; A385-A388 PolarHBondContact O-N 2.96Å; V386-A388 VanDerWaalsContact C-N 3.34Å; V386-A388 PolarHBondContact O-N 3.02Å; A388-G392 PolarHBondContact O-N 3.24Å |
| 389 | I | 97.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 10.7 Ų | 10.7 | 3% | 0.031 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.6 | -47.1 | 172 | -73.5 | 166.7 | 0 | 0 | 0 | 110.8 | I73 M74 F78 A385 V386 G392 F393 | I73-I389 HydrophobicContact CB-CD1 4.15Å; I73-I389 HydrophobicContact CG2-CB 4.37Å; I73-I389 HydrophobicContact CG2-CD1 3.9Å; I73-I389 HydrophobicContact CG2-CG1 3.81Å; I73-I389 HydrophobicContact CG2-CG2 3.69Å; M74-I389 HydrophobicContact CG-CD1 3.74Å; M74-I389 HydrophobicContact CG-CG1 3.59Å; M74-I389 HydrophobicContact SD-CD1 4.48Å; M74-I389 HydrophobicContact SD-CG1 4.09Å; F78-I389 HydrophobicContact CE2-CG2 4.46Å; A385-I389 WeakPolarHBondContact O-CB 3.34Å; A385-I389 VanDerWaalsContact O-CG1 3.26Å; A385-I389 WeakPolarHBondContact O-CG1 3.35Å; A385-I389 PolarHBondContact O-N 3.46Å; V386-I389 WeakPolarHBondContact O-CB 3.33Å; V386-I389 PolarHBondContact O-N 2.84Å; I389-G392 PolarHBondContact O-N 3.39Å; I389-F393 WeakPolarHBondContact O-CB 3.43Å; I389-F393 PolarHBondContact O-N 3.19Å |
| 390 | M | 97.9 | Very high | 93.6 | Very high | 31 Ų | 31 | 12 Ų | 12 | 15% | 0.153 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -69.5 | -42.1 | -178.1 | -66.4 | -57.1 | 159.4 | 0 | 0 | 112 | W340 V386 F387 F393 I394 M468 | W340-M390 HydrophobicContact CD2-CB 3.67Å; W340-M390 HydrophobicContact CE3-CB 3.57Å; W340-M390 HydrophobicContact CE3-CG 4.33Å; W340-M390 HydrophobicContact CG-CB 4.41Å; W340-M390 HydrophobicContact CH2-CB 3.81Å; W340-M390 HydrophobicContact CH2-CG 3.86Å; W340-M390 HydrophobicContact CZ2-CB 3.94Å; W340-M390 HydrophobicContact CZ2-CG 4.31Å; W340-M390 HydrophobicContact CZ3-CB 3.63Å; W340-M390 HydrophobicContact CZ3-CG 3.88Å; V386-M390 HydrophobicContact CG1-CE 3.92Å; V386-M390 HydrophobicContact CG1-CG 4.23Å; V386-M390 VanDerWaalsContact O-CG 3.25Å; V386-M390 WeakPolarHBondContact O-CG 3.39Å; V386-M390 PolarHBondContact O-N 3.01Å; F387-M390 PolarHBondContact O-N 3.05Å; M390-F393 PolarHBondContact O-N 2.82Å; M390-I394 WeakPolarHBondContact O-CG1 3.2Å; M390-I394 PolarHBondContact O-N 2.9Å; M390-M468 HydrophobicContact CE-CE 4.44Å; M390-M468 HydrophobicContact SD-CE 3.18Å; M390-M468 WeakPolarHBondContact SD-CE 3.4Å |
| 391 | G | 97.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F387 H395 | F387-G391 PolarHBondContact O-N 2.96Å; G391-H395 VanDerWaalsContact O-CB 3.31Å; G391-H395 WeakPolarHBondContact O-CB 3.32Å; G391-H395 PolarHBondContact O-N 3.46Å |
| 392 | G | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -64 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A388 I389 I394 H395 W396 | A388-G392 PolarHBondContact O-N 3.24Å; I389-G392 PolarHBondContact O-N 3.39Å; G392-I394 PolarHBondContact O-N 3.17Å; G392-H395 PolarHBondContact O-N 2.94Å; G392-W396 VanDerWaalsContact CA-CE3 3.4Å; G392-W396 PolarHBondContact O-N 2.87Å |
| 393 | F | 97.9 | Very high | 95.3 | Very high | 39 Ų | 39 | 11.9 Ų | 11.9 | 17% | 0.171 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.4 | -50.2 | 177.9 | 178.7 | -100.4 | 0 | 0 | 0 | 110.1 | F78 I389 M390 H395 W396 F397 L405 M468 I472 | F78-F393 HydrophobicContact CZ-CB 4.34Å; I389-F393 WeakPolarHBondContact O-CB 3.43Å; I389-F393 PolarHBondContact O-N 3.19Å; M390-F393 PolarHBondContact O-N 2.82Å; F393-H395 VanDerWaalsContact C-N 3.31Å; F393-H395 PolarHBondContact O-N 2.78Å; F393-W396 PolarHBondContact O-N 3.39Å; F393-F397 AromaticContact CE1-CD2 3.82Å; F393-F397 HydrophobicContact CE1-CD2 3.82Å; F393-F397 HydrophobicContact CE1-CE2 4.37Å; F393-F397 AromaticContact CE2-CD2 3.77Å; F393-F397 HydrophobicContact CE2-CD2 3.77Å; F393-F397 HydrophobicContact CE2-CE2 4.37Å; F393-F397 AromaticContact CZ-CD2 3.32Å; F393-F397 HydrophobicContact CZ-CD2 3.32Å; F393-F397 AromaticContact CZ-CE2 3.71Å; F393-F397 HydrophobicContact CZ-CE2 3.71Å; F393-F397 HydrophobicContact CZ-CG 4.37Å; F393-F397 WeakPolarHBondContact O-CA 3.5Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 2.72Å; F393-L405 HydrophobicContact CE1-CD1 4.26Å; F393-M468 HydrophobicContact CD1-CE 3.93Å; F393-M468 HydrophobicContact CD1-SD 4.18Å; F393-M468 HydrophobicContact CE1-CE 4.22Å; F393-M468 HydrophobicContact CE1-SD 3.85Å; F393-I472 HydrophobicContact CE1-CD1 4.13Å; F393-I472 HydrophobicContact CE1-CG1 4.07Å; F393-I472 HydrophobicContact CZ-CD1 3.69Å; F393-I472 HydrophobicContact CZ-CG1 3.82Å |
| 394 | I | 97.5 | Very high | 96 | Very high | 9 Ų | 9 | 14 Ų | 14 | 5% | 0.046 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -63.2 | -38.7 | 179 | -71.5 | 160.7 | 0 | 0 | 0 | 111.9 | A336 A337 W340 M390 G392 L405 | A336-I394 HydrophobicContact CB-CD1 4.42Å; A336-I394 HydrophobicContact CB-CG2 4.16Å; A337-I394 HydrophobicContact CB-CG2 4.17Å; W340-I394 HydrophobicContact CG-CD1 4.41Å; M390-I394 WeakPolarHBondContact O-CG1 3.2Å; M390-I394 PolarHBondContact O-N 2.9Å; G392-I394 PolarHBondContact O-N 3.17Å; I394-L405 HydrophobicContact CB-CD1 4.44Å; I394-L405 HydrophobicContact CG1-CD1 3.9Å |
| 395 | H | 96.3 | Very high | 96.5 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 3% | 0.032 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -68.1 | -47.5 | 179.4 | 177.8 | 52.6 | 0 | 0 | 0 | 112.5 | I257 Y260 Y261 A337 G391 G392 F393 P398 W494 | I257-H395 HydrophobicContact CD1-CB 4.38Å; I257-H395 HydrophobicContact CG1-CB 4.03Å; Y260-H395 AromaticContact CD1-CE1 3.64Å; Y260-H395 AromaticContact CE1-CE1 3.98Å; Y260-H395 AromaticContact CG-CE1 3.66Å; Y261-H395 AromaticContact CE2-ND1 3.76Å; A337-H395 HydrophobicContact CB-CB 4.25Å; G391-H395 VanDerWaalsContact O-CB 3.31Å; G391-H395 WeakPolarHBondContact O-CB 3.32Å; G391-H395 PolarHBondContact O-N 3.46Å; G392-H395 PolarHBondContact O-N 2.94Å; F393-H395 VanDerWaalsContact C-N 3.31Å; F393-H395 PolarHBondContact O-N 2.78Å; H395-P398 WeakPolarHBondContact O-CD 3.49Å; H395-W494 AromaticContact CE1-CZ2 3.86Å; H395-W494 AromaticContact NE2-CZ2 3.92Å; H395-W494 WeakPolarHBondContact O-CH2 3.46Å |
| 396 | W | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -96 | -1.3 | -176.6 | -67.6 | -69.2 | 0 | 0 | 0 | 114.5 | F78 L82 M86 M253 H256 G392 F393 P398 L399 F400 W494 | F78-W396 AromaticContact CD1-CE3 3.97Å; F78-W396 HydrophobicContact CD1-CE3 3.97Å; F78-W396 AromaticContact CE1-CE3 3.69Å; F78-W396 HydrophobicContact CE1-CE3 3.69Å; F78-W396 HydrophobicContact CE1-CZ3 4.41Å; L82-W396 HydrophobicContact CD1-CD2 3.78Å; L82-W396 HydrophobicContact CD1-CE3 3.97Å; L82-W396 HydrophobicContact CD1-CG 4.37Å; L82-W396 HydrophobicContact CD1-CH2 4.24Å; L82-W396 HydrophobicContact CD1-CZ2 3.97Å; L82-W396 HydrophobicContact CD1-CZ3 4.22Å; L82-W396 HydrophobicContact CD2-CD2 4.34Å; L82-W396 HydrophobicContact CD2-CG 4.12Å; M86-W396 HydrophobicContact CE-CZ2 3.93Å; M253-W396 HydrophobicContact CB-CH2 4.02Å; M253-W396 HydrophobicContact CB-CZ3 3.88Å; M253-W396 HydrophobicContact CG-CH2 3.94Å; M253-W396 HydrophobicContact CG-CZ3 3.61Å; M253-W396 HydrophobicContact SD-CZ3 3.96Å; H256-W396 HydrophobicContact CB-CH2 4.02Å; H256-W396 HydrophobicContact CB-CZ2 3.91Å; G392-W396 VanDerWaalsContact CA-CE3 3.4Å; G392-W396 PolarHBondContact O-N 2.87Å; F393-W396 PolarHBondContact O-N 3.39Å; W396-P398 VanDerWaalsContact C-CD 3.42Å; W396-P398 VanDerWaalsContact C-N 3.3Å; W396-L399 HydrophobicContact CB-CB 4.42Å; W396-L399 WeakPolarHBondContact O-CA 3.48Å; W396-L399 VanDerWaalsContact O-CB 3.26Å; W396-L399 WeakPolarHBondContact O-CB 3.47Å; W396-L399 PolarHBondContact O-N 2.72Å; W396-F400 HydrophobicContact CB-CD2 4.31Å; W396-F400 HydrophobicContact CB-CE1 3.87Å; W396-F400 HydrophobicContact CB-CE2 3.67Å; W396-F400 HydrophobicContact CB-CZ 3.41Å; W396-F400 VanDerWaalsContact CB-CZ 3.41Å; W396-F400 HydrophobicContact CG-CZ 4.21Å; W396-F400 WeakPolarHBondContact O-CD2 3.47Å; W396-F400 WeakPolarHBondContact O-CG 3.07Å; W396-F400 PolarHBondContact O-N 3.32Å; W396-W494 AromaticContact CD1-CZ2 3.48Å; W396-W494 VanDerWaalsContact CD1-CZ2 3.48Å; W396-W494 HydrophobicContact CG-CZ2 4.41Å; W396-W494 AromaticContact NE1-CZ2 3.93Å |
| 397 | F | 97.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 19.8 Ų | 19.8 | 3% | 0.031 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -53.1 | -42.2 | 174.6 | -177.6 | -95.3 | 0 | 0 | 0 | 112.9 | F393 L399 F400 S401 Y403 L405 A475 F476 | F393-F397 AromaticContact CE1-CD2 3.82Å; F393-F397 HydrophobicContact CE1-CD2 3.82Å; F393-F397 HydrophobicContact CE1-CE2 4.37Å; F393-F397 AromaticContact CE2-CD2 3.77Å; F393-F397 HydrophobicContact CE2-CD2 3.77Å; F393-F397 HydrophobicContact CE2-CE2 4.37Å; F393-F397 AromaticContact CZ-CD2 3.32Å; F393-F397 HydrophobicContact CZ-CD2 3.32Å; F393-F397 AromaticContact CZ-CE2 3.71Å; F393-F397 HydrophobicContact CZ-CE2 3.71Å; F393-F397 HydrophobicContact CZ-CG 4.37Å; F393-F397 WeakPolarHBondContact O-CA 3.5Å; F393-F397 WeakPolarHBondContact O-CB 3.46Å; F393-F397 PolarHBondContact O-N 2.72Å; F397-L399 VanDerWaalsContact C-N 3.32Å; F397-L399 PolarHBondContact O-N 3.32Å; F397-F400 PolarHBondContact O-N 3.02Å; F397-S401 WeakPolarHBondContact CE1-OG 3.45Å; F397-S401 WeakPolarHBondContact O-CB 3.26Å; F397-S401 PolarHBondContact O-N 3.37Å; F397-S401 PolarHBondContact O-OG 3.12Å; F397-Y403 VanDerWaalsContact CD1-O 3.28Å; F397-Y403 WeakPolarHBondContact CD1-O 3.48Å; F397-L405 HydrophobicContact CB-CD1 4.17Å; F397-L405 HydrophobicContact CB-CG 4.38Å; F397-L405 HydrophobicContact CD1-CD1 4.24Å; F397-L405 HydrophobicContact CD1-CD2 3.8Å; F397-L405 HydrophobicContact CD1-CG 3.56Å; F397-L405 HydrophobicContact CD2-CD2 4.44Å; F397-L405 HydrophobicContact CE1-CD2 3.61Å; F397-L405 HydrophobicContact CE1-CG 3.9Å; F397-L405 HydrophobicContact CE2-CD2 4.28Å; F397-L405 HydrophobicContact CG-CD1 4.11Å; F397-L405 HydrophobicContact CG-CD2 4.2Å; F397-L405 HydrophobicContact CG-CG 3.94Å; F397-L405 HydrophobicContact CZ-CD2 3.87Å; F397-A475 HydrophobicContact CE1-CB 3.78Å; F397-A475 HydrophobicContact CZ-CB 3.86Å; F397-F476 HydrophobicContact CE2-CE2 4.42Å; F397-F476 HydrophobicContact CZ-CE2 4.23Å; F397-F476 HydrophobicContact CZ-CZ 4.39Å |
| 398 | P | 95.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 24 Ų | 24 | 16% | 0.162 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.2 | -40.2 | 172.7 | -22.9 | 35.7 | 0 | 0 | 0 | 113 | H395 W396 G402 Y403 V482 W494 C498 | H395-P398 WeakPolarHBondContact O-CD 3.49Å; W396-P398 VanDerWaalsContact C-CD 3.42Å; W396-P398 VanDerWaalsContact C-N 3.3Å; P398-G402 VanDerWaalsContact O-CA 3.25Å; P398-G402 WeakPolarHBondContact O-CA 3.25Å; P398-G402 PolarHBondContact O-N 3.39Å; P398-Y403 VanDerWaalsContact CA-O 3.27Å; P398-Y403 WeakPolarHBondContact CA-O 3.38Å; P398-V482 HydrophobicContact CB-CG2 3.61Å; P398-W494 HydrophobicContact CB-CZ3 4.39Å; P398-C498 WeakPolarHBondContact O-CB 3Å |
| 399 | L | 95.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.9 | -44.1 | 177.7 | -174.5 | 65.5 | 0 | 0 | 0 | 111.7 | L82 L85 W396 F397 E493 W494 P499 P500 | L82-L399 HydrophobicContact CD2-CD2 3.82Å; L85-L399 HydrophobicContact CD1-CD2 4.23Å; W396-L399 HydrophobicContact CB-CB 4.42Å; W396-L399 WeakPolarHBondContact O-CA 3.48Å; W396-L399 VanDerWaalsContact O-CB 3.26Å; W396-L399 WeakPolarHBondContact O-CB 3.47Å; W396-L399 PolarHBondContact O-N 2.72Å; F397-L399 VanDerWaalsContact C-N 3.32Å; F397-L399 PolarHBondContact O-N 3.32Å; L399-E493 WeakPolarHBondContact CD1-O 3.35Å; L399-E493 HydrophobicContact CD2-CB 4.1Å; L399-E493 HydrophobicContact CD2-CG 4.1Å; L399-W494 HydrophobicContact CB-CE3 4.22Å; L399-W494 HydrophobicContact CB-CH2 3.69Å; L399-W494 HydrophobicContact CB-CZ2 4.46Å; L399-W494 HydrophobicContact CB-CZ3 3.55Å; L399-W494 HydrophobicContact CD1-CE3 3.99Å; L399-W494 HydrophobicContact CD1-CZ3 4.18Å; L399-W494 HydrophobicContact CG-CZ3 4.39Å; L399-P499 VanDerWaalsContact O-CA 3.31Å; L399-P499 WeakPolarHBondContact O-CA 3.42Å; L399-P499 WeakPolarHBondContact O-CB 3.39Å; L399-P500 HydrophobicContact CD1-CG 4.26Å |
| 400 | F | 96.3 | Very high | 96.7 | Very high | 29 Ų | 29 | 28.1 Ų | 28.1 | 13% | 0.127 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -75.9 | -38.8 | -175.3 | -55.1 | -28 | 0 | 0 | 0 | 112.8 | L20 F78 W81 L82 W396 F397 | L20-F400 HydrophobicContact CD1-CD2 4.16Å; L20-F400 HydrophobicContact CD1-CE2 4.12Å; F78-F400 HydrophobicContact CD1-CE2 4.17Å; F78-F400 AromaticContact CD1-CZ 3.81Å; F78-F400 HydrophobicContact CD1-CZ 3.81Å; F78-F400 AromaticContact CE1-CE2 3.68Å; F78-F400 HydrophobicContact CE1-CE2 3.68Å; F78-F400 AromaticContact CE1-CZ 3.75Å; F78-F400 HydrophobicContact CE1-CZ 3.75Å; F78-F400 HydrophobicContact CZ-CE2 4.48Å; W81-F400 HydrophobicContact CB-CD1 4.48Å; W81-F400 HydrophobicContact CB-CE1 3.78Å; W81-F400 HydrophobicContact CB-CZ 4.32Å; W81-F400 AromaticContact CD2-CD1 3.59Å; W81-F400 HydrophobicContact CD2-CD1 3.59Å; W81-F400 AromaticContact CD2-CE1 3.8Å; W81-F400 HydrophobicContact CD2-CE1 3.8Å; W81-F400 AromaticContact CE2-CD1 3.97Å; W81-F400 AromaticContact CE3-CD1 3.64Å; W81-F400 HydrophobicContact CE3-CD1 3.64Å; W81-F400 AromaticContact CE3-CE1 3.96Å; W81-F400 HydrophobicContact CE3-CE1 3.96Å; W81-F400 AromaticContact CG-CD1 3.99Å; W81-F400 HydrophobicContact CG-CD1 3.99Å; W81-F400 AromaticContact CG-CE1 3.74Å; W81-F400 HydrophobicContact CG-CE1 3.74Å; W81-F400 HydrophobicContact CG-CZ 4.42Å; W81-F400 HydrophobicContact CH2-CD1 4.37Å; W81-F400 HydrophobicContact CZ2-CB 4.45Å; W81-F400 HydrophobicContact CZ2-CD1 4.35Å; W81-F400 HydrophobicContact CZ3-CD1 4.04Å; L82-F400 HydrophobicContact CD2-CE1 4.13Å; L82-F400 HydrophobicContact CD2-CZ 4.44Å; W396-F400 HydrophobicContact CB-CD2 4.31Å; W396-F400 HydrophobicContact CB-CE1 3.87Å; W396-F400 HydrophobicContact CB-CE2 3.67Å; W396-F400 HydrophobicContact CB-CZ 3.41Å; W396-F400 VanDerWaalsContact CB-CZ 3.41Å; W396-F400 HydrophobicContact CG-CZ 4.21Å; W396-F400 WeakPolarHBondContact O-CD2 3.47Å; W396-F400 WeakPolarHBondContact O-CG 3.07Å; W396-F400 PolarHBondContact O-N 3.32Å; F397-F400 PolarHBondContact O-N 3.02Å |
| 401 | S | 96.2 | Very high | 96.7 | Very high | 21 Ų | 21 | 30.4 Ų | 30.4 | 15% | 0.147 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -107.2 | -21.7 | -169.3 | 70.8 | 0 | 0 | 0 | 0 | 114.6 | F397 Y403 | F397-S401 WeakPolarHBondContact CE1-OG 3.45Å; F397-S401 WeakPolarHBondContact O-CB 3.26Å; F397-S401 PolarHBondContact O-N 3.37Å; F397-S401 PolarHBondContact O-OG 3.12Å; S401-Y403 WeakPolarHBondContact O-CD2 3.45Å; S401-Y403 PolarHBondContact O-N 3Å; S401-Y403 PolarHBondContact OG-N 2.93Å; S401-Y403 VanDerWaalsContact OG-N 3.08Å; S401-Y403 PolarHBondContact OG-O 3.29Å |
| 402 | G | 95.4 | Very high | 96.7 | Very high | 7 Ų | 7 | 34 Ų | 34 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 74.3 | 4.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P398 K481 V482 C498 | P398-G402 VanDerWaalsContact O-CA 3.25Å; P398-G402 WeakPolarHBondContact O-CA 3.25Å; P398-G402 PolarHBondContact O-N 3.39Å; G402-K481 WeakPolarHBondContact O-CA 3.49Å; G402-V482 PolarHBondContact O-N 2.65Å; G402-C498 VanDerWaalsContact CA-O 3.23Å; G402-C498 WeakPolarHBondContact CA-O 3.22Å |
| 403 | Y | 96.1 | Very high | 96.8 | Very high | 49 Ų | 49 | 34 Ų | 34 | 19% | 0.192 | 17% | 0.171 | C | C | . | . | B | Isolated β-bridge | trans | -116.9 | 158.6 | 179.7 | -58.7 | -61.1 | 0 | 0 | 0 | 112.7 | F397 P398 S401 F476 K479 R480 K481 | F397-Y403 VanDerWaalsContact CD1-O 3.28Å; F397-Y403 WeakPolarHBondContact CD1-O 3.48Å; P398-Y403 VanDerWaalsContact CA-O 3.27Å; P398-Y403 WeakPolarHBondContact CA-O 3.38Å; S401-Y403 WeakPolarHBondContact O-CD2 3.45Å; S401-Y403 PolarHBondContact O-N 3Å; S401-Y403 PolarHBondContact OG-N 2.93Å; S401-Y403 VanDerWaalsContact OG-N 3.08Å; S401-Y403 PolarHBondContact OG-O 3.29Å; Y403-F476 AromaticContact CD2-CD1 3.62Å; Y403-F476 HydrophobicContact CD2-CD1 3.62Å; Y403-F476 AromaticContact CD2-CE1 3.68Å; Y403-F476 HydrophobicContact CD2-CE1 3.68Å; Y403-F476 AromaticContact CE2-CD1 3.65Å; Y403-F476 HydrophobicContact CE2-CD1 3.65Å; Y403-F476 AromaticContact CE2-CE1 3.87Å; Y403-F476 HydrophobicContact CE2-CE1 3.87Å; Y403-K479 HydrophobicContact CD1-CB 4.34Å; Y403-K479 HydrophobicContact CE1-CB 3.73Å; Y403-K479 HydrophobicContact CE1-CG 4.2Å; Y403-R480 CarbonylContact C-O 3.5Å; Y403-R480 VanDerWaalsContact CA-O 3.22Å; Y403-R480 WeakPolarHBondContact CA-O 3.24Å; Y403-K481 HydrophobicContact CD1-CG 4.25Å; Y403-K481 HydrophobicContact CE1-CG 4.01Å |
| 404 | T | 95.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 33.2 Ų | 33.2 | 28% | 0.276 | 17% | 0.168 | S | C | . | . | trans | -106 | 138.7 | 178 | 61.5 | 0 | 0 | 0 | 0 | 112.5 | R480 V482 | T404-R480 PolarHBondContact N-O 3Å; T404-R480 PolarHBondContact O-NE 2.95Å; T404-R480 PolarHBondContact O-NH2 2.91Å; T404-R480 WeakPolarHBondContact OG1-CB 3.43Å; T404-R480 PolarHBondContact OG1-O 2.98Å; T404-V482 HydrophobicContact CG2-CG2 3.94Å | ||
| 405 | L | 96 | Very high | 96.8 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 7% | 0.068 | 19% | 0.186 | C | C | . | . | trans | -75.1 | 142.3 | 168.8 | -62.4 | 174.2 | 0 | 0 | 0 | 110 | F393 I394 F397 Q407 M471 A475 | F393-L405 HydrophobicContact CE1-CD1 4.26Å; I394-L405 HydrophobicContact CB-CD1 4.44Å; I394-L405 HydrophobicContact CG1-CD1 3.9Å; F397-L405 HydrophobicContact CB-CD1 4.17Å; F397-L405 HydrophobicContact CB-CG 4.38Å; F397-L405 HydrophobicContact CD1-CD1 4.24Å; F397-L405 HydrophobicContact CD1-CD2 3.8Å; F397-L405 HydrophobicContact CD1-CG 3.56Å; F397-L405 HydrophobicContact CD2-CD2 4.44Å; F397-L405 HydrophobicContact CE1-CD2 3.61Å; F397-L405 HydrophobicContact CE1-CG 3.9Å; F397-L405 HydrophobicContact CE2-CD2 4.28Å; F397-L405 HydrophobicContact CG-CD1 4.11Å; F397-L405 HydrophobicContact CG-CD2 4.2Å; F397-L405 HydrophobicContact CG-CG 3.94Å; F397-L405 HydrophobicContact CZ-CD2 3.87Å; L405-Q407 PolarHBondContact O-N 3.35Å; L405-M471 HydrophobicContact CB-CE 4.43Å; L405-M471 HydrophobicContact CD1-CE 4.02Å; L405-M471 HydrophobicContact CD2-CB 4.5Å; L405-M471 HydrophobicContact CD2-CE 4.4Å; L405-A475 HydrophobicContact CD2-CB 3.92Å | ||
| 406 | D | 96.4 | Very high | 96.9 | Very high | 50 Ų | 50 | 38 Ų | 38 | 27% | 0.267 | 20% | 0.196 | S | C | . | . | trans | -64.8 | 126.5 | 170.1 | -177.6 | -85.3 | 0 | 0 | 0 | 110.4 | T408 Y409 A410 | D406-T408 VanDerWaalsContact C-N 3.3Å; D406-T408 PolarHBondContact O-N 2.95Å; D406-T408 VanDerWaalsContact OD1-CA 3.3Å; D406-T408 WeakPolarHBondContact OD1-CA 3.48Å; D406-T408 WeakPolarHBondContact OD1-CB 3.23Å; D406-T408 PolarHBondContact OD1-N 3.47Å; D406-T408 PolarHBondContact OD1-OG1 3.05Å; D406-Y409 HydrophobicContact CB-CD2 3.74Å; D406-Y409 HydrophobicContact CB-CE2 4.46Å; D406-Y409 HydrophobicContact CB-CG 4.5Å; D406-Y409 PolarHBondContact OD1-N 3.41Å; D406-A410 WeakPolarHBondContact O-CB 3.19Å; D406-A410 PolarHBondContact O-N 3.33Å | ||
| 407 | Q | 94.9 | Very high | 97 | Very high | 77 Ų | 77 | 38.7 Ų | 38.7 | 36% | 0.36 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.3 | -25.8 | -175.5 | -73.2 | -63.8 | -45.5 | 0 | 0 | 113.1 | A336 L405 K411 | A336-Q407 VanDerWaalsContact N-OE1 3.16Å; L405-Q407 PolarHBondContact O-N 3.35Å; Q407-K411 WeakPolarHBondContact O-CB 3.46Å; Q407-K411 WeakPolarHBondContact O-CG 3.23Å; Q407-K411 PolarHBondContact O-N 3Å; Q407-K411 VanDerWaalsContact O-N 3.07Å |
| 408 | T | 97.1 | Very high | 97 | Very high | 90 Ų | 90 | 41 Ų | 41 | 55% | 0.552 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -70 | -51.7 | 177.7 | -50 | 0 | 0 | 0 | 0 | 109.4 | D406 A410 K411 I412 | D406-T408 VanDerWaalsContact C-N 3.3Å; D406-T408 PolarHBondContact O-N 2.95Å; D406-T408 VanDerWaalsContact OD1-CA 3.3Å; D406-T408 WeakPolarHBondContact OD1-CA 3.48Å; D406-T408 WeakPolarHBondContact OD1-CB 3.23Å; D406-T408 PolarHBondContact OD1-N 3.47Å; D406-T408 PolarHBondContact OD1-OG1 3.05Å; T408-A410 VanDerWaalsContact C-N 3.31Å; T408-A410 PolarHBondContact O-N 2.9Å; T408-K411 PolarHBondContact O-N 3.02Å; T408-I412 HydrophobicContact CG2-CD1 4.09Å; T408-I412 WeakPolarHBondContact O-CG1 3.41Å; T408-I412 PolarHBondContact O-N 3.44Å |
| 409 | Y | 97.8 | Very high | 97.1 | Very high | 91 Ų | 91 | 43.7 Ų | 43.7 | 36% | 0.357 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.3 | -39.4 | 176.2 | -63.6 | -46.9 | 0 | 0 | 0 | 112 | D406 K411 I412 H413 F470 | D406-Y409 HydrophobicContact CB-CD2 3.74Å; D406-Y409 HydrophobicContact CB-CE2 4.46Å; D406-Y409 HydrophobicContact CB-CG 4.5Å; D406-Y409 PolarHBondContact OD1-N 3.41Å; Y409-K411 VanDerWaalsContact C-N 3.33Å; Y409-K411 PolarHBondContact O-N 3.49Å; Y409-I412 HydrophobicContact CD1-CD1 4.49Å; Y409-I412 PolarHBondContact O-N 3.22Å; Y409-H413 WeakPolarHBondContact O-CB 3.45Å; Y409-H413 PolarHBondContact O-N 3.13Å; Y409-F470 HydrophobicContact CD2-CE1 4.14Å; Y409-F470 HydrophobicContact CE1-CE1 4.34Å; Y409-F470 AromaticContact CE2-CE1 3.97Å; Y409-F470 HydrophobicContact CE2-CE1 3.97Å; Y409-F470 HydrophobicContact CG-CE1 4.43Å |
| 410 | A | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.6 | -35.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A336 D406 T408 F414 M471 | A336-A410 HydrophobicContact CB-CB 3.5Å; A336-A410 VanDerWaalsContact CB-CB 3.5Å; D406-A410 WeakPolarHBondContact O-CB 3.19Å; D406-A410 PolarHBondContact O-N 3.33Å; T408-A410 VanDerWaalsContact C-N 3.31Å; T408-A410 PolarHBondContact O-N 2.9Å; A410-F414 PolarHBondContact O-N 2.85Å; A410-F414 VanDerWaalsContact O-N 3.14Å; A410-M471 HydrophobicContact CB-CE 3.65Å |
| 411 | K | 98.4 | Very high | 97.3 | Very high | 80 Ų | 80 | 42.6 Ų | 42.6 | 35% | 0.348 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -71.1 | -42.8 | 173.9 | -73.5 | 174.1 | -179.5 | -173.7 | 0 | 111.9 | W334 A336 L339 Q407 T408 Y409 H413 F414 T415 | W334-K411 WeakPolarHBondContact O-CE 3.27Å; W334-K411 PolarHBondContact O-NZ 3.29Å; A336-K411 HydrophobicContact CB-CG 4.29Å; L339-K411 HydrophobicContact CD1-CB 4.46Å; L339-K411 HydrophobicContact CD1-CG 3.93Å; Q407-K411 WeakPolarHBondContact O-CB 3.46Å; Q407-K411 WeakPolarHBondContact O-CG 3.23Å; Q407-K411 PolarHBondContact O-N 3Å; Q407-K411 VanDerWaalsContact O-N 3.07Å; T408-K411 PolarHBondContact O-N 3.02Å; Y409-K411 VanDerWaalsContact C-N 3.33Å; Y409-K411 PolarHBondContact O-N 3.49Å; K411-H413 VanDerWaalsContact C-N 3.3Å; K411-H413 PolarHBondContact O-N 2.66Å; K411-F414 WeakPolarHBondContact O-CB 3.19Å; K411-F414 PolarHBondContact O-N 2.97Å; K411-T415 PolarHBondContact O-N 3.25Å; K411-T415 PolarHBondContact O-OG1 2.8Å |
| 412 | I | 98.4 | Very high | 97.3 | Very high | 74 Ų | 74 | 43 Ų | 43 | 38% | 0.379 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 174.9 | -66.7 | 167.3 | 0 | 0 | 0 | 110 | T408 Y409 F414 T415 I416 L467 | T408-I412 HydrophobicContact CG2-CD1 4.09Å; T408-I412 WeakPolarHBondContact O-CG1 3.41Å; T408-I412 PolarHBondContact O-N 3.44Å; Y409-I412 HydrophobicContact CD1-CD1 4.49Å; Y409-I412 PolarHBondContact O-N 3.22Å; I412-F414 PolarHBondContact O-N 3.22Å; I412-T415 PolarHBondContact O-N 3.16Å; I412-T415 VanDerWaalsContact O-N 3.17Å; I412-I416 HydrophobicContact CG2-CD1 3.62Å; I412-I416 HydrophobicContact CG2-CG1 4.2Å; I412-I416 WeakPolarHBondContact O-CG1 3.33Å; I412-I416 PolarHBondContact O-N 3.37Å; I412-L467 HydrophobicContact CB-CD2 4.27Å; I412-L467 HydrophobicContact CG2-CD2 3.73Å |
| 413 | H | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.1 | -47.1 | 176.5 | 175.8 | -117.1 | 0 | 0 | 0 | 112.2 | W340 Y409 K411 M417 A464 L467 M468 M471 | W340-H413 AromaticContact CH2-CE1 3.92Å; W340-H413 AromaticContact CZ2-CE1 3.47Å; W340-H413 VanDerWaalsContact CZ2-CE1 3.47Å; W340-H413 WeakPolarHBondContact CZ2-CE1 3.35Å; W340-H413 AromaticContact CZ2-ND1 3.46Å; W340-H413 WeakPolarHBondContact CZ2-ND1 3.35Å; Y409-H413 WeakPolarHBondContact O-CB 3.45Å; Y409-H413 PolarHBondContact O-N 3.13Å; K411-H413 VanDerWaalsContact C-N 3.3Å; K411-H413 PolarHBondContact O-N 2.66Å; H413-M417 WeakPolarHBondContact O-CB 3.26Å; H413-M417 PolarHBondContact O-N 2.94Å; H413-A464 PolarHBondContact CD2-O 2.64Å; H413-A464 PolarHBondContact NE2-O 2.75Å; H413-L467 HydrophobicContact CB-CD2 3.8Å; H413-L467 HydrophobicContact CB-CG 4.19Å; H413-M468 WeakPolarHBondContact CE1-CE 3.3Å; H413-M471 HydrophobicContact CB-SD 3.62Å |
| 414 | F | 98.4 | Very high | 97.5 | Very high | 23 Ų | 23 | 43.2 Ų | 43.2 | 10% | 0.101 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.9 | -51.1 | 172.9 | 169.6 | -99.1 | 0 | 0 | 0 | 112 | L339 W340 F387 A410 K411 I412 I416 M417 F418 | L339-F414 VanDerWaalsContact C-CE2 3.49Å; L339-F414 HydrophobicContact CB-CD1 3.69Å; L339-F414 HydrophobicContact CB-CD2 4.1Å; L339-F414 HydrophobicContact CB-CE1 3.79Å; L339-F414 HydrophobicContact CB-CE2 4.17Å; L339-F414 HydrophobicContact CB-CG 3.85Å; L339-F414 HydrophobicContact CB-CZ 4.02Å; L339-F414 HydrophobicContact CD1-CD1 3.9Å; L339-F414 HydrophobicContact CD1-CE1 4.39Å; L339-F414 HydrophobicContact CD1-CG 4.48Å; L339-F414 HydrophobicContact CG-CD1 4.35Å; L339-F414 HydrophobicContact CG-CE1 4.48Å; L339-F414 WeakPolarHBondContact O-CE2 3.44Å; L339-F414 WeakPolarHBondContact O-CZ 3.21Å; W340-F414 AromaticContact CD2-CD2 3.7Å; W340-F414 HydrophobicContact CD2-CD2 3.7Å; W340-F414 AromaticContact CE2-CD2 3.82Å; W340-F414 HydrophobicContact CE3-CD2 4.06Å; W340-F414 AromaticContact CG-CD2 3.97Å; W340-F414 HydrophobicContact CG-CD2 3.97Å; W340-F414 HydrophobicContact CZ2-CB 4.05Å; W340-F414 HydrophobicContact CZ2-CD2 4.28Å; F387-F414 HydrophobicContact CE1-CE2 4.09Å; A410-F414 PolarHBondContact O-N 2.85Å; A410-F414 VanDerWaalsContact O-N 3.14Å; K411-F414 WeakPolarHBondContact O-CB 3.19Å; K411-F414 PolarHBondContact O-N 2.97Å; I412-F414 PolarHBondContact O-N 3.22Å; F414-I416 PolarHBondContact O-N 2.93Å; F414-M417 PolarHBondContact O-N 2.91Å; F414-F418 HydrophobicContact CE1-CB 4.4Å; F414-F418 HydrophobicContact CE2-CB 4.33Å; F414-F418 HydrophobicContact CE2-CD2 4.12Å; F414-F418 HydrophobicContact CZ-CB 4.17Å; F414-F418 AromaticContact CZ-CD2 3.84Å; F414-F418 HydrophobicContact CZ-CD2 3.84Å; F414-F418 HydrophobicContact CZ-CG 4.12Å; F414-F418 VanDerWaalsContact O-CB 3.22Å; F414-F418 WeakPolarHBondContact O-CB 3.46Å; F414-F418 PolarHBondContact O-N 2.82Å |
| 415 | T | 98.4 | Very high | 97.7 | Very high | 70 Ų | 70 | 42 Ų | 42 | 43% | 0.429 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.5 | -45.6 | -175.7 | -60 | 0 | 0 | 0 | 0 | 112 | K411 I412 F418 I419 | K411-T415 PolarHBondContact O-N 3.25Å; K411-T415 PolarHBondContact O-OG1 2.8Å; I412-T415 PolarHBondContact O-N 3.16Å; I412-T415 VanDerWaalsContact O-N 3.17Å; T415-F418 PolarHBondContact O-N 2.94Å; T415-I419 HydrophobicContact CG2-CD1 3.92Å; T415-I419 WeakPolarHBondContact O-CG1 3.33Å; T415-I419 PolarHBondContact O-N 3.22Å |
| 416 | I | 98.4 | Very high | 97.7 | Very high | 47 Ų | 47 | 46.2 Ų | 46.2 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.8 | -47.5 | 178.7 | -63.7 | 174.3 | 0 | 0 | 0 | 110.2 | I412 F414 F418 I419 G420 I460 T463 A464 L467 | I412-I416 HydrophobicContact CG2-CD1 3.62Å; I412-I416 HydrophobicContact CG2-CG1 4.2Å; I412-I416 WeakPolarHBondContact O-CG1 3.33Å; I412-I416 PolarHBondContact O-N 3.37Å; F414-I416 PolarHBondContact O-N 2.93Å; I416-F418 PolarHBondContact O-N 3.42Å; I416-I419 PolarHBondContact O-N 3.44Å; I416-G420 PolarHBondContact O-N 3.39Å; I416-I460 HydrophobicContact CG2-CG2 3.86Å; I416-T463 WeakPolarHBondContact CG2-OG1 3.3Å; I416-A464 HydrophobicContact CB-CB 4.24Å; I416-A464 HydrophobicContact CG2-CB 3.86Å; I416-L467 HydrophobicContact CD1-CD2 4.15Å |
| 417 | M | 97.8 | Very high | 97.8 | Very high | 14 Ų | 14 | 44 Ų | 44 | 7% | 0.069 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -47.5 | 178.6 | -173.8 | 65.6 | 79.3 | 0 | 0 | 111.1 | W340 F387 H413 F414 I419 G420 V421 A464 V465 | W340-M417 HydrophobicContact CH2-CB 3.72Å; W340-M417 HydrophobicContact CH2-CG 3.74Å; W340-M417 HydrophobicContact CZ2-CB 4.44Å; W340-M417 HydrophobicContact CZ3-CG 4.21Å; F387-M417 HydrophobicContact CE2-CG 4.27Å; F387-M417 HydrophobicContact CZ-CG 4.33Å; H413-M417 WeakPolarHBondContact O-CB 3.26Å; H413-M417 PolarHBondContact O-N 2.94Å; F414-M417 PolarHBondContact O-N 2.91Å; M417-I419 VanDerWaalsContact C-N 3.33Å; M417-I419 PolarHBondContact O-N 3.45Å; M417-G420 PolarHBondContact O-N 3.35Å; M417-V421 HydrophobicContact CG-CG1 4.08Å; M417-V421 WeakPolarHBondContact O-CG1 3.41Å; M417-V421 WeakPolarHBondContact O-CG2 3.39Å; M417-V421 PolarHBondContact O-N 3.08Å; M417-V421 HydrophobicContact SD-CG1 3.7Å; M417-A464 HydrophobicContact CB-CB 3.83Å; M417-A464 HydrophobicContact CE-CB 3.7Å; M417-A464 HydrophobicContact SD-CB 4.15Å; M417-V465 HydrophobicContact CE-CG2 4.16Å |
| 418 | F | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 40.5 Ų | 40.5 | 24% | 0.241 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.6 | -44 | -178.6 | -174.2 | -90.5 | 0 | 0 | 0 | 111.9 | F346 L347 F387 F414 T415 I416 N422 | F346-F418 HydrophobicContact CD1-CE2 4.29Å; F346-F418 AromaticContact CD1-CZ 4Å; F346-F418 HydrophobicContact CD1-CZ 4Å; F346-F418 HydrophobicContact CE1-CZ 4.21Å; L347-F418 HydrophobicContact CD1-CD2 3.87Å; L347-F418 HydrophobicContact CD1-CE2 3.69Å; L347-F418 HydrophobicContact CD2-CE2 4.03Å; L347-F418 HydrophobicContact CD2-CZ 4.3Å; L347-F418 HydrophobicContact CG-CE2 3.9Å; F387-F418 AromaticContact CE1-CD2 3.98Å; F387-F418 HydrophobicContact CE1-CD2 3.98Å; F387-F418 HydrophobicContact CZ-CD2 4.33Å; F414-F418 HydrophobicContact CE1-CB 4.4Å; F414-F418 HydrophobicContact CE2-CB 4.33Å; F414-F418 HydrophobicContact CE2-CD2 4.12Å; F414-F418 HydrophobicContact CZ-CB 4.17Å; F414-F418 AromaticContact CZ-CD2 3.84Å; F414-F418 HydrophobicContact CZ-CD2 3.84Å; F414-F418 HydrophobicContact CZ-CG 4.12Å; F414-F418 VanDerWaalsContact O-CB 3.22Å; F414-F418 WeakPolarHBondContact O-CB 3.46Å; F414-F418 PolarHBondContact O-N 2.82Å; T415-F418 PolarHBondContact O-N 2.94Å; I416-F418 PolarHBondContact O-N 3.42Å; F418-N422 PolarHBondContact O-N 2.76Å; F418-N422 PolarHBondContact O-ND2 2.93Å |
| 419 | I | 98.3 | Very high | 98 | Very high | 81 Ų | 81 | 36.9 Ų | 36.9 | 42% | 0.415 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.6 | -48.1 | 175.6 | -67.7 | 169.5 | 0 | 0 | 0 | 110.4 | T415 I416 M417 V421 N422 L423 | T415-I419 HydrophobicContact CG2-CD1 3.92Å; T415-I419 WeakPolarHBondContact O-CG1 3.33Å; T415-I419 PolarHBondContact O-N 3.22Å; I416-I419 PolarHBondContact O-N 3.44Å; M417-I419 VanDerWaalsContact C-N 3.33Å; M417-I419 PolarHBondContact O-N 3.45Å; I419-V421 PolarHBondContact O-N 2.91Å; I419-N422 PolarHBondContact O-N 2.98Å; I419-L423 HydrophobicContact CG2-CD1 3.72Å; I419-L423 HydrophobicContact CG2-CG 4.27Å; I419-L423 WeakPolarHBondContact O-CB 3.49Å; I419-L423 WeakPolarHBondContact O-CG 3.42Å; I419-L423 PolarHBondContact O-N 2.71Å |
| 420 | G | 97.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.6 | -49.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | I416 M417 N422 L423 T424 G457 S461 | I416-G420 PolarHBondContact O-N 3.39Å; M417-G420 PolarHBondContact O-N 3.35Å; G420-N422 PolarHBondContact O-N 2.85Å; G420-L423 PolarHBondContact O-N 2.96Å; G420-T424 WeakPolarHBondContact O-CB 3.28Å; G420-T424 PolarHBondContact O-N 3.34Å; G420-T424 PolarHBondContact O-OG1 2.92Å; G420-G457 CarbonylContact C-O 3.25Å; G420-G457 WeakPolarHBondContact CA-O 3.2Å; G420-G457 CarbonylContact O-C 3.48Å; G420-G457 WeakPolarHBondContact O-CA 3.22Å; G420-S461 WeakPolarHBondContact CA-OG 3.4Å |
| 421 | V | 96.9 | Very high | 98.1 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 4% | 0.036 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.7 | -37.6 | -178.2 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | L347 M383 F387 M417 I419 T424 F425 S461 | L347-V421 HydrophobicContact CD1-CG2 4.49Å; M383-V421 HydrophobicContact CG-CB 4.17Å; M383-V421 HydrophobicContact CG-CG2 3.81Å; M383-V421 HydrophobicContact SD-CB 4.34Å; M383-V421 HydrophobicContact SD-CG2 3.86Å; F387-V421 HydrophobicContact CE2-CG1 4.47Å; F387-V421 HydrophobicContact CE2-CG2 3.96Å; F387-V421 HydrophobicContact CZ-CG2 3.9Å; M417-V421 HydrophobicContact CG-CG1 4.08Å; M417-V421 WeakPolarHBondContact O-CG1 3.41Å; M417-V421 WeakPolarHBondContact O-CG2 3.39Å; M417-V421 PolarHBondContact O-N 3.08Å; M417-V421 HydrophobicContact SD-CG1 3.7Å; I419-V421 PolarHBondContact O-N 2.91Å; V421-T424 WeakPolarHBondContact O-CB 3.37Å; V421-T424 PolarHBondContact O-N 3.02Å; V421-F425 HydrophobicContact CB-CD2 4.3Å; V421-F425 HydrophobicContact CB-CE2 4.47Å; V421-F425 VanDerWaalsContact O-CD2 3.24Å; V421-F425 WeakPolarHBondContact O-CD2 3.33Å; V421-F425 PolarHBondContact O-N 2.92Å; V421-S461 PolarHBondContact N-OG 3.31Å |
| 422 | N | 97.6 | Very high | 98 | Very high | 30 Ų | 30 | 32.6 Ų | 32.6 | 16% | 0.16 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.7 | -42.6 | 176.7 | -80.5 | -78.7 | 0 | 0 | 0 | 111.1 | L347 Y379 F418 I419 G420 T424 F426 P427 | L347-N422 WeakPolarHBondContact CD2-ND2 3.45Å; L347-N422 VanDerWaalsContact CD2-OD1 3.23Å; L347-N422 WeakPolarHBondContact CD2-OD1 3.28Å; Y379-N422 PolarHBondContact OH-OD1 2.95Å; F418-N422 PolarHBondContact O-N 2.76Å; F418-N422 PolarHBondContact O-ND2 2.93Å; I419-N422 PolarHBondContact O-N 2.98Å; G420-N422 PolarHBondContact O-N 2.85Å; N422-T424 PolarHBondContact O-N 3.26Å; N422-F426 WeakPolarHBondContact O-CB 3.26Å; N422-F426 PolarHBondContact O-N 3.33Å; N422-P427 WeakPolarHBondContact O-CD 3.25Å |
| 423 | L | 97.6 | Very high | 98 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 29% | 0.293 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.1 | -29.2 | 172.8 | -72.1 | 178.6 | 0 | 0 | 0 | 112.2 | I419 G420 P427 L453 S454 I460 | I419-L423 HydrophobicContact CG2-CD1 3.72Å; I419-L423 HydrophobicContact CG2-CG 4.27Å; I419-L423 WeakPolarHBondContact O-CB 3.49Å; I419-L423 WeakPolarHBondContact O-CG 3.42Å; I419-L423 PolarHBondContact O-N 2.71Å; G420-L423 PolarHBondContact O-N 2.96Å; L423-P427 WeakPolarHBondContact O-CD 3.26Å; L423-P427 WeakPolarHBondContact O-CG 3.39Å; L423-L453 HydrophobicContact CD2-CD1 4.07Å; L423-L453 HydrophobicContact CD2-CG 4.38Å; L423-S454 WeakPolarHBondContact O-CA 3.15Å; L423-I460 HydrophobicContact CD1-CD1 3.75Å |
| 424 | T | 97.9 | Very high | 97.9 | Very high | 4 Ų | 4 | 37 Ų | 37 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -71.6 | -56.9 | 176 | -52.6 | 0 | 0 | 0 | 0 | 111.5 | G420 V421 N422 S454 G457 S458 | G420-T424 WeakPolarHBondContact O-CB 3.28Å; G420-T424 PolarHBondContact O-N 3.34Å; G420-T424 PolarHBondContact O-OG1 2.92Å; V421-T424 WeakPolarHBondContact O-CB 3.37Å; V421-T424 PolarHBondContact O-N 3.02Å; N422-T424 PolarHBondContact O-N 3.26Å; T424-S454 WeakPolarHBondContact CA-O 3.47Å; T424-S454 VanDerWaalsContact O-CB 3.24Å; T424-S454 WeakPolarHBondContact O-CB 3.42Å; T424-S454 PolarHBondContact O-OG 2.82Å; T424-G457 WeakPolarHBondContact OG1-CA 3.43Å; T424-G457 PolarHBondContact OG1-O 2.87Å; T424-S458 WeakPolarHBondContact OG1-CA 3.42Å; T424-S458 PolarHBondContact OG1-N 2.97Å |
| 425 | F | 98.2 | Very high | 97.8 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 8% | 0.083 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -100.9 | -23.4 | -163.8 | -60.7 | -67.2 | 0 | 0 | 0 | 113.8 | H378 Y379 M383 V421 Q428 | H378-F425 HydrophobicContact CB-CB 4.45Å; H378-F425 HydrophobicContact CB-CD1 3.38Å; H378-F425 HydrophobicContact CB-CD2 4.07Å; H378-F425 HydrophobicContact CB-CE1 3.48Å; H378-F425 VanDerWaalsContact CB-CE1 3.48Å; H378-F425 HydrophobicContact CB-CE2 4.13Å; H378-F425 HydrophobicContact CB-CG 3.7Å; H378-F425 HydrophobicContact CB-CZ 3.86Å; H378-F425 AromaticContact CD2-CE1 3.15Å; H378-F425 WeakPolarHBondContact CD2-CE1 3.39Å; H378-F425 AromaticContact CD2-CZ 3.27Å; H378-F425 WeakPolarHBondContact CD2-CZ 3.45Å; H378-F425 AromaticContact CG-CD1 3.6Å; H378-F425 AromaticContact CG-CE1 3.22Å; H378-F425 AromaticContact CG-CZ 3.71Å; H378-F425 AromaticContact ND1-CE1 3.89Å; H378-F425 AromaticContact NE2-CE1 3.8Å; Y379-F425 HydrophobicContact CD2-CB 4.08Å; Y379-F425 HydrophobicContact CE2-CB 3.74Å; M383-F425 HydrophobicContact CE-CB 3.64Å; M383-F425 HydrophobicContact CE-CD2 3.57Å; M383-F425 HydrophobicContact CE-CG 3.94Å; V421-F425 HydrophobicContact CB-CD2 4.3Å; V421-F425 HydrophobicContact CB-CE2 4.47Å; V421-F425 VanDerWaalsContact O-CD2 3.24Å; V421-F425 WeakPolarHBondContact O-CD2 3.33Å; V421-F425 PolarHBondContact O-N 2.92Å; F425-Q428 WeakPolarHBondContact O-CB 3.5Å; F425-Q428 PolarHBondContact O-N 3.46Å |
| 426 | F | 97.7 | Very high | 97.8 | Very high | 102 Ų | 102 | 34.5 Ų | 34.5 | 45% | 0.447 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -61.2 | -46 | 176.5 | -164.4 | -106.4 | 0 | 0 | 0 | 111.8 | Y379 N422 Q428 H429 F430 | Y379-F426 WeakPolarHBondContact OH-CB 3.45Å; N422-F426 WeakPolarHBondContact O-CB 3.26Å; N422-F426 PolarHBondContact O-N 3.33Å; F426-Q428 PolarHBondContact O-N 2.87Å; F426-Q428 VanDerWaalsContact O-N 3.16Å; F426-H429 PolarHBondContact O-N 3.5Å; F426-H429 PolarHBondContact O-ND1 2.89Å; F426-F430 AromaticContact CD1-CE2 3.94Å; F426-F430 HydrophobicContact CD1-CE2 3.94Å; F426-F430 AromaticContact CE1-CE2 3.65Å; F426-F430 HydrophobicContact CE1-CE2 3.65Å; F426-F430 HydrophobicContact CE1-CZ 4Å; F426-F430 HydrophobicContact CZ-CE2 4.44Å; F426-F430 HydrophobicContact CZ-CZ 4.48Å |
| 427 | P | 98.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 34.8 Ų | 34.8 | 3% | 0.026 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.7 | -29.1 | 175.6 | -30.3 | 41.6 | 0 | 0 | 0 | 114.4 | N422 L423 H429 F430 L431 W450 L453 | N422-P427 WeakPolarHBondContact O-CD 3.25Å; L423-P427 WeakPolarHBondContact O-CD 3.26Å; L423-P427 WeakPolarHBondContact O-CG 3.39Å; P427-H429 PolarHBondContact O-N 3.32Å; P427-F430 WeakPolarHBondContact O-CB 3.46Å; P427-F430 PolarHBondContact O-N 2.68Å; P427-L431 PolarHBondContact O-N 3.18Å; P427-L431 VanDerWaalsContact O-N 3.12Å; P427-W450 HydrophobicContact CB-CB 4.17Å; P427-W450 HydrophobicContact CB-CD2 4.37Å; P427-W450 HydrophobicContact CB-CE3 3.78Å; P427-W450 HydrophobicContact CG-CE3 4.3Å; P427-L453 HydrophobicContact CG-CB 4.28Å; P427-L453 HydrophobicContact CG-CD2 3.65Å; P427-L453 HydrophobicContact CG-CG 3.95Å |
| 428 | Q | 98.3 | Very high | 97.7 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.7 | -23.8 | -177.7 | -65.1 | -178.2 | 7.1 | 0 | 0 | 112.8 | Y371 A375 F425 F426 F430 L431 G432 S454 | Y371-Q428 CarbonylContact C-O 3.46Å; Y371-Q428 WeakPolarHBondContact CB-O 3.49Å; Y371-Q428 HydrophobicContact CD1-CB 4.12Å; Y371-Q428 HydrophobicContact CD1-CG 3.92Å; A375-Q428 HydrophobicContact CB-CB 3.76Å; F425-Q428 WeakPolarHBondContact O-CB 3.5Å; F425-Q428 PolarHBondContact O-N 3.46Å; F426-Q428 PolarHBondContact O-N 2.87Å; F426-Q428 VanDerWaalsContact O-N 3.16Å; Q428-F430 VanDerWaalsContact C-N 3.31Å; Q428-F430 PolarHBondContact O-N 3.31Å; Q428-L431 HydrophobicContact CG-CD1 4.28Å; Q428-L431 PolarHBondContact O-N 3.32Å; Q428-G432 PolarHBondContact O-N 3.42Å; Q428-S454 PolarHBondContact NE2-OG 3.29Å |
| 429 | H | 98.2 | Very high | 97.5 | Very high | 13 Ų | 13 | 36.8 Ų | 36.8 | 6% | 0.06 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.4 | -40.6 | 169.2 | -65.1 | 102.5 | 0 | 0 | 0 | 111.4 | Y372 A375 Y379 F426 P427 G432 L433 | Y372-H429 HydrophobicContact CD2-CB 4.31Å; Y372-H429 HydrophobicContact CE2-CB 4.41Å; Y372-H429 AromaticContact CE2-CD2 3.93Å; A375-H429 WeakPolarHBondContact CB-NE2 3.23Å; Y379-H429 AromaticContact CD2-CE1 3.53Å; Y379-H429 AromaticContact CE2-CE1 3.52Å; F426-H429 PolarHBondContact O-N 3.5Å; F426-H429 PolarHBondContact O-ND1 2.89Å; P427-H429 PolarHBondContact O-N 3.32Å; H429-G432 PolarHBondContact O-N 3.43Å; H429-L433 WeakPolarHBondContact O-CB 3.29Å; H429-L433 VanDerWaalsContact O-CG 3.25Å; H429-L433 WeakPolarHBondContact O-CG 3.23Å; H429-L433 PolarHBondContact O-N 3.13Å |
| 430 | F | 98.3 | Very high | 97.4 | Very high | 80 Ų | 80 | 39.7 Ų | 39.7 | 35% | 0.351 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.7 | -36.6 | 177.2 | -59.4 | -69.8 | 0 | 0 | 0 | 112 | F426 P427 Q428 G432 L433 S434 W450 | F426-F430 AromaticContact CD1-CE2 3.94Å; F426-F430 HydrophobicContact CD1-CE2 3.94Å; F426-F430 AromaticContact CE1-CE2 3.65Å; F426-F430 HydrophobicContact CE1-CE2 3.65Å; F426-F430 HydrophobicContact CE1-CZ 4Å; F426-F430 HydrophobicContact CZ-CE2 4.44Å; F426-F430 HydrophobicContact CZ-CZ 4.48Å; P427-F430 WeakPolarHBondContact O-CB 3.46Å; P427-F430 PolarHBondContact O-N 2.68Å; Q428-F430 VanDerWaalsContact C-N 3.31Å; Q428-F430 PolarHBondContact O-N 3.31Å; F430-G432 VanDerWaalsContact C-N 3.32Å; F430-G432 PolarHBondContact O-N 2.99Å; F430-L433 PolarHBondContact O-N 3.29Å; F430-S434 WeakPolarHBondContact O-CB 3.43Å; F430-S434 PolarHBondContact O-N 3.07Å; F430-S434 PolarHBondContact O-OG 3.23Å; F430-W450 HydrophobicContact CB-CD2 4.29Å; F430-W450 HydrophobicContact CB-CG 4.41Å; F430-W450 HydrophobicContact CB-CZ2 4.24Å; F430-W450 HydrophobicContact CD2-CH2 4.08Å; F430-W450 HydrophobicContact CD2-CZ2 4.02Å; F430-W450 HydrophobicContact CD2-CZ3 4.36Å; F430-W450 HydrophobicContact CE2-CH2 4.37Å; F430-W450 HydrophobicContact CG-CZ2 4.09Å |
| 431 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 169.8 | -69.5 | 175.7 | 0 | 0 | 0 | 111.2 | Y371 P427 Q428 S434 G435 M436 Y447 W450 | Y371-L431 HydrophobicContact CD1-CD1 4.31Å; Y371-L431 HydrophobicContact CG-CB 4.27Å; P427-L431 PolarHBondContact O-N 3.18Å; P427-L431 VanDerWaalsContact O-N 3.12Å; Q428-L431 HydrophobicContact CG-CD1 4.28Å; Q428-L431 PolarHBondContact O-N 3.32Å; L431-S434 WeakPolarHBondContact CA-OG 3.37Å; L431-S434 PolarHBondContact O-N 3.42Å; L431-S434 PolarHBondContact O-OG 3.17Å; L431-G435 PolarHBondContact O-N 2.81Å; L431-M436 HydrophobicContact CB-CB 4.12Å; L431-M436 HydrophobicContact CB-SD 4.05Å; L431-M436 HydrophobicContact CD1-SD 3.9Å; L431-M436 HydrophobicContact CD2-SD 3.74Å; L431-M436 HydrophobicContact CG-SD 4.11Å; L431-M436 VanDerWaalsContact O-CB 3.26Å; L431-M436 WeakPolarHBondContact O-CB 3.15Å; L431-M436 PolarHBondContact O-N 3.26Å; L431-Y447 HydrophobicContact CD2-CD1 3.83Å; L431-Y447 HydrophobicContact CD2-CG 4.13Å; L431-W450 HydrophobicContact CD1-CB 4.13Å; L431-W450 HydrophobicContact CD2-CB 3.55Å; L431-W450 HydrophobicContact CD2-CG 4.28Å; L431-W450 HydrophobicContact CG-CB 3.64Å; L431-W450 HydrophobicContact CG-CG 4.42Å |
| 432 | G | 97.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -46 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y372 Q428 H429 F430 S434 G435 | Y372-G432 VanDerWaalsContact N-CA 3.31Å; Q428-G432 PolarHBondContact O-N 3.42Å; H429-G432 PolarHBondContact O-N 3.43Å; F430-G432 VanDerWaalsContact C-N 3.32Å; F430-G432 PolarHBondContact O-N 2.99Å; G432-S434 PolarHBondContact O-N 2.83Å; G432-G435 PolarHBondContact O-N 3.1Å |
| 433 | L | 97.4 | Very high | 97.1 | Very high | 109 Ų | 109 | 42.3 Ų | 42.3 | 57% | 0.571 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -63.1 | -26 | 176.9 | -72.2 | 170.3 | 0 | 0 | 0 | 113 | L367 Y372 H429 F430 G435 | L367-L433 HydrophobicContact CD2-CD2 4.04Å; Y372-L433 HydrophobicContact CD2-CD2 4.06Å; Y372-L433 HydrophobicContact CD2-CG 3.91Å; Y372-L433 HydrophobicContact CE2-CD1 4.46Å; Y372-L433 HydrophobicContact CE2-CD2 4.02Å; Y372-L433 HydrophobicContact CE2-CG 4.09Å; H429-L433 WeakPolarHBondContact O-CB 3.29Å; H429-L433 VanDerWaalsContact O-CG 3.25Å; H429-L433 WeakPolarHBondContact O-CG 3.23Å; H429-L433 PolarHBondContact O-N 3.13Å; F430-L433 PolarHBondContact O-N 3.29Å; L433-G435 VanDerWaalsContact C-N 3.29Å |
| 434 | S | 97.1 | Very high | 97.1 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 41% | 0.406 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 8.2 | 173.7 | 54 | 0 | 0 | 0 | 0 | 113.4 | F430 L431 G432 Y447 | F430-S434 WeakPolarHBondContact O-CB 3.43Å; F430-S434 PolarHBondContact O-N 3.07Å; F430-S434 PolarHBondContact O-OG 3.23Å; L431-S434 WeakPolarHBondContact CA-OG 3.37Å; L431-S434 PolarHBondContact O-N 3.42Å; L431-S434 PolarHBondContact O-OG 3.17Å; G432-S434 PolarHBondContact O-N 2.83Å; S434-Y447 PolarHBondContact O-OH 3.28Å; S434-Y447 VanDerWaalsContact OG-CE1 3.28Å; S434-Y447 WeakPolarHBondContact OG-CE1 3.19Å |
| 435 | G | 96.9 | Very high | 96.9 | Very high | 39 Ų | 39 | 49.4 Ų | 49.4 | 40% | 0.402 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.8 | 14.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L431 G432 L433 P437 | L431-G435 PolarHBondContact O-N 2.81Å; G432-G435 PolarHBondContact O-N 3.1Å; L433-G435 VanDerWaalsContact C-N 3.29Å; G435-P437 VanDerWaalsContact O-CD 3.28Å; G435-P437 WeakPolarHBondContact O-CD 3.48Å |
| 436 | M | 97.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 118.5 | 177.6 | -172.8 | 179.5 | 176.8 | 0 | 0 | 110.2 | T370 Y371 L431 Y443 Y447 N451 | T370-M436 CarbonylContact C-O 3.42Å; T370-M436 VanDerWaalsContact CA-O 3.26Å; T370-M436 WeakPolarHBondContact CA-O 3.32Å; T370-M436 WeakPolarHBondContact CB-O 3.36Å; Y371-M436 HydrophobicContact CD2-CB 4.11Å; Y371-M436 HydrophobicContact CD2-CE 4.2Å; Y371-M436 HydrophobicContact CD2-CG 3.68Å; Y371-M436 HydrophobicContact CD2-SD 3.83Å; Y371-M436 HydrophobicContact CE2-CE 3.54Å; Y371-M436 HydrophobicContact CE2-CG 3.89Å; Y371-M436 HydrophobicContact CE2-SD 3.8Å; Y371-M436 HydrophobicContact CG-SD 4.35Å; Y371-M436 PolarHBondContact N-O 3.11Å; L431-M436 HydrophobicContact CB-CB 4.12Å; L431-M436 HydrophobicContact CB-SD 4.05Å; L431-M436 HydrophobicContact CD1-SD 3.9Å; L431-M436 HydrophobicContact CD2-SD 3.74Å; L431-M436 HydrophobicContact CG-SD 4.11Å; L431-M436 VanDerWaalsContact O-CB 3.26Å; L431-M436 WeakPolarHBondContact O-CB 3.15Å; L431-M436 PolarHBondContact O-N 3.26Å; M436-Y443 HydrophobicContact CE-CD1 3.75Å; M436-Y443 HydrophobicContact CE-CG 3.78Å; M436-Y447 HydrophobicContact CB-CD1 4.04Å; M436-Y447 HydrophobicContact CB-CD2 4.36Å; M436-Y447 HydrophobicContact CB-CE1 3.88Å; M436-Y447 HydrophobicContact CB-CE2 4.2Å; M436-Y447 HydrophobicContact CB-CG 4.27Å; M436-Y447 HydrophobicContact CG-CD2 4.17Å; M436-Y447 HydrophobicContact CG-CE2 4.32Å; M436-Y447 HydrophobicContact CG-CG 4.27Å; M436-Y447 HydrophobicContact SD-CD2 4.42Å; M436-Y447 HydrophobicContact SD-CG 4.11Å; M436-N451 WeakPolarHBondContact CE-ND2 3.32Å; M436-N451 PolarHBondContact SD-ND2 3.17Å; M436-N451 VanDerWaalsContact SD-ND2 3.45Å |
| 437 | P | 97.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 49.6 Ų | 49.6 | 34% | 0.344 | 27% | 0.274 | S | S | . | . | B | Isolated β-bridge | trans | -76.7 | 150.3 | -179.7 | 32.7 | -35.8 | 0 | 0 | 0 | 111.5 | D369 Y371 G435 Y440 | D369-P437 CarbonylContact O-C 3.59Å; D369-P437 WeakPolarHBondContact O-CA 3.12Å; Y371-P437 WeakPolarHBondContact CE2-O 3.13Å; G435-P437 VanDerWaalsContact O-CD 3.28Å; G435-P437 WeakPolarHBondContact O-CD 3.48Å; P437-Y440 HydrophobicContact CB-CD2 3.79Å; P437-Y440 HydrophobicContact CB-CE2 3.6Å; P437-Y440 HydrophobicContact CG-CD2 3.56Å; P437-Y440 HydrophobicContact CG-CE2 3.61Å; P437-Y440 HydrophobicContact CG-CG 4.28Å |
| 438 | R | 96.5 | Very high | 96.8 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 18% | 0.177 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -80.9 | 159.5 | 176.6 | 73.7 | -173.7 | -179.2 | 162.7 | -4.2 | 111.8 | D369 V374 Y440 | D369-R438 HydrophobicContact CB-CG 4.42Å; D369-R438 VanDerWaalsContact O-CG 3.27Å; D369-R438 WeakPolarHBondContact O-CG 3.49Å; D369-R438 PolarHBondContact O-N 3.27Å; D369-R438 IonicContact OD1-CZ 2.79Å; D369-R438 IonicContact OD1-NE 3.74Å; D369-R438 PolarHBondContact OD1-NE 2.61Å; D369-R438 IonicContact OD1-NH2 2.74Å; D369-R438 PolarHBondContact OD1-NH2 3.32Å; V374-R438 HydrophobicContact CG2-CB 3.86Å; R438-Y440 VanDerWaalsContact C-N 3.34Å; R438-Y440 VanDerWaalsContact O-CD2 3.28Å; R438-Y440 WeakPolarHBondContact O-CD2 3.3Å; R438-Y440 PolarHBondContact O-N 3.34Å |
| 439 | R | 94.6 | Very high | 96.7 | Very high | 65 Ų | 65 | 55.5 Ų | 55.5 | 25% | 0.245 | 31% | 0.31 | C | S | . | . | S | Bend | trans | 63.9 | 30.8 | 176.2 | -55 | 174.4 | -173.4 | -177.2 | 2.9 | 114.9 | N55 | N55-R439 PolarHBondContact OD1-O 2.99Š|
| 440 | Y | 94.9 | Very high | 96.7 | Very high | 141 Ų | 141 | 59.4 Ų | 59.4 | 55% | 0.553 | 32% | 0.324 | S | S | * | . | trans | -104.4 | 139.8 | 165.2 | -72 | -99.1 | 0 | 0 | 0 | 109.2 | Y54 P437 R438 | Y54-Y440 VanDerWaalsContact CE1-C 3.4Å; Y54-Y440 VanDerWaalsContact CE1-O 3.22Å; Y54-Y440 WeakPolarHBondContact CE1-O 3.35Å; Y54-Y440 PolarHBondContact OH-O 3.04Å; P437-Y440 HydrophobicContact CB-CD2 3.79Å; P437-Y440 HydrophobicContact CB-CE2 3.6Å; P437-Y440 HydrophobicContact CG-CD2 3.56Å; P437-Y440 HydrophobicContact CG-CE2 3.61Å; P437-Y440 HydrophobicContact CG-CG 4.28Å; R438-Y440 VanDerWaalsContact C-N 3.34Å; R438-Y440 VanDerWaalsContact O-CD2 3.28Å; R438-Y440 WeakPolarHBondContact O-CD2 3.3Å; R438-Y440 PolarHBondContact O-N 3.34Å | ||
| 441 | S | 95.3 | Very high | 96.7 | Very high | 12 Ų | 12 | 55.6 Ų | 55.6 | 8% | 0.084 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -76.7 | -28 | 175.3 | 40.8 | 0 | 0 | 0 | 0 | 112.3 | D51 | D51-S441 WeakPolarHBondContact CB-OG 3.21Å; D51-S441 PolarHBondContact OD1-OG 3Å |
| 442 | D | 96 | Very high | 96.7 | Very high | 68 Ų | 68 | 59.5 Ų | 59.5 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | trans | -128.2 | 162.1 | -179.3 | -163.6 | 9.9 | 0 | 0 | 0 | 111.8 | G45 | G45-D442 PolarHBondContact N-OD1 3.07Š| ||
| 443 | Y | 96.3 | Very high | 96.7 | Very high | 11 Ų | 11 | 62.4 Ų | 62.4 | 4% | 0.043 | 34% | 0.343 | C | S | . | . | trans | -152 | 152.8 | -177.4 | 59.1 | -96.3 | 0 | 0 | 0 | 113.2 | L41 Q43 P44 M436 N451 | L41-Y443 HydrophobicContact CB-CE1 4.21Å; L41-Y443 HydrophobicContact CD2-CD1 3.94Å; L41-Y443 HydrophobicContact CD2-CE1 4.11Å; L41-Y443 VanDerWaalsContact O-CE1 3.25Å; L41-Y443 WeakPolarHBondContact O-CE1 3.41Å; L41-Y443 PolarHBondContact O-OH 2.96Å; Q43-Y443 VanDerWaalsContact C-OH 3.29Å; Q43-Y443 VanDerWaalsContact CA-OH 3.32Å; Q43-Y443 WeakPolarHBondContact CA-OH 3.25Å; Q43-Y443 PolarHBondContact N-OH 2.83Å; P44-Y443 HydrophobicContact CG-CD2 4.37Å; P44-Y443 HydrophobicContact CG-CE2 3.77Å; M436-Y443 HydrophobicContact CE-CD1 3.75Å; M436-Y443 HydrophobicContact CE-CG 3.78Å; Y443-N451 HydrophobicContact CE1-CB 4.06Å; Y443-N451 HydrophobicContact CE2-CB 4.17Å; Y443-N451 VanDerWaalsContact OH-CB 3.23Å; Y443-N451 WeakPolarHBondContact OH-CB 3.42Å | ||
| 444 | P | 96.3 | Very high | 96.8 | Very high | 86 Ų | 86 | 57.2 Ų | 57.2 | 56% | 0.558 | 32% | 0.315 | S | S | * | . | trans | -59.7 | 144.1 | 174.1 | -25 | 32.5 | 0 | 0 | 0 | 113.9 | A446 Y447 | P444-A446 PolarHBondContact O-N 3.17Å; P444-Y447 HydrophobicContact CB-CD2 4.28Å; P444-Y447 HydrophobicContact CB-CE2 4.36Å; P444-Y447 HydrophobicContact CG-CD2 4.32Å; P444-Y447 HydrophobicContact CG-CE2 4.11Å; P444-Y447 PolarHBondContact O-N 2.81Å | ||
| 445 | D | 95.1 | Very high | 96.8 | Very high | 123 Ų | 123 | 54.7 Ų | 54.7 | 66% | 0.658 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -50.6 | -25.5 | -177.6 | -65.7 | -4.5 | 0 | 0 | 0 | 115 | P44 Y447 T448 | P44-D445 WeakPolarHBondContact CB-OD1 3.25Å; P44-D445 VanDerWaalsContact CG-OD1 3.31Å; P44-D445 WeakPolarHBondContact CG-OD1 3.25Å; D445-Y447 PolarHBondContact O-N 3.33Å; D445-Y447 VanDerWaalsContact O-N 3.15Å; D445-T448 WeakPolarHBondContact CA-OG1 3.36Å; D445-T448 VanDerWaalsContact O-CB 3.25Å; D445-T448 WeakPolarHBondContact O-CB 3.46Å; D445-T448 PolarHBondContact O-N 3.25Å; D445-T448 VanDerWaalsContact O-N 3.1Å; D445-T448 PolarHBondContact O-OG1 3.3Å |
| 446 | A | 96.5 | Very high | 96.9 | Very high | 87 Ų | 87 | 56.1 Ų | 56.1 | 72% | 0.719 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -56.5 | -26.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P444 | P444-A446 PolarHBondContact O-N 3.17Š|
| 447 | Y | 97.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 56 Ų | 56 | 15% | 0.153 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -92.9 | -3.4 | -179.3 | -58.1 | -58.8 | 0 | 0 | 0 | 114 | L431 S434 M436 P444 D445 T449 W450 N451 | L431-Y447 HydrophobicContact CD2-CD1 3.83Å; L431-Y447 HydrophobicContact CD2-CG 4.13Å; S434-Y447 PolarHBondContact O-OH 3.28Å; S434-Y447 VanDerWaalsContact OG-CE1 3.28Å; S434-Y447 WeakPolarHBondContact OG-CE1 3.19Å; M436-Y447 HydrophobicContact CB-CD1 4.04Å; M436-Y447 HydrophobicContact CB-CD2 4.36Å; M436-Y447 HydrophobicContact CB-CE1 3.88Å; M436-Y447 HydrophobicContact CB-CE2 4.2Å; M436-Y447 HydrophobicContact CB-CG 4.27Å; M436-Y447 HydrophobicContact CG-CD2 4.17Å; M436-Y447 HydrophobicContact CG-CE2 4.32Å; M436-Y447 HydrophobicContact CG-CG 4.27Å; M436-Y447 HydrophobicContact SD-CD2 4.42Å; M436-Y447 HydrophobicContact SD-CG 4.11Å; P444-Y447 HydrophobicContact CB-CD2 4.28Å; P444-Y447 HydrophobicContact CB-CE2 4.36Å; P444-Y447 HydrophobicContact CG-CD2 4.32Å; P444-Y447 HydrophobicContact CG-CE2 4.11Å; P444-Y447 PolarHBondContact O-N 2.81Å; D445-Y447 PolarHBondContact O-N 3.33Å; D445-Y447 VanDerWaalsContact O-N 3.15Å; Y447-T449 PolarHBondContact O-N 3.34Å; Y447-W450 PolarHBondContact O-N 3.47Å; Y447-N451 PolarHBondContact O-N 3.17Å; Y447-N451 PolarHBondContact O-ND2 3.32Å |
| 448 | T | 97 | Very high | 96.9 | Very high | 27 Ų | 27 | 54 Ų | 54 | 17% | 0.166 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.8 | -47 | -171.1 | -55.4 | 0 | 0 | 0 | 0 | 113.2 | P44 D445 W450 N451 I452 | P44-T448 HydrophobicContact CG-CG2 4.37Å; P44-T448 WeakPolarHBondContact CG-OG1 3.09Å; D445-T448 WeakPolarHBondContact CA-OG1 3.36Å; D445-T448 VanDerWaalsContact O-CB 3.25Å; D445-T448 WeakPolarHBondContact O-CB 3.46Å; D445-T448 PolarHBondContact O-N 3.25Å; D445-T448 VanDerWaalsContact O-N 3.1Å; D445-T448 PolarHBondContact O-OG1 3.3Å; T448-W450 VanDerWaalsContact C-N 3.35Å; T448-W450 PolarHBondContact O-N 3.13Å; T448-N451 PolarHBondContact O-N 3.03Å; T448-N451 VanDerWaalsContact O-N 3.17Å; T448-I452 HydrophobicContact CG2-CD1 3.57Å; T448-I452 HydrophobicContact CG2-CG1 4.1Å; T448-I452 WeakPolarHBondContact O-CG1 3.33Å; T448-I452 PolarHBondContact O-N 2.73Å |
| 449 | T | 97.2 | Very high | 97 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 64% | 0.638 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -57.2 | -46.8 | -175.3 | -53.6 | 0 | 0 | 0 | 0 | 112.3 | Y447 L453 | Y447-T449 PolarHBondContact O-N 3.34Å; T449-L453 PolarHBondContact O-N 3.21Å |
| 450 | W | 98 | Very high | 97.2 | Very high | 95 Ų | 95 | 55.8 Ų | 55.8 | 36% | 0.36 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.1 | -32.2 | -179.4 | -66.3 | 128.5 | 0 | 0 | 0 | 112.6 | P427 F430 L431 Y447 T448 L453 S454 | P427-W450 HydrophobicContact CB-CB 4.17Å; P427-W450 HydrophobicContact CB-CD2 4.37Å; P427-W450 HydrophobicContact CB-CE3 3.78Å; P427-W450 HydrophobicContact CG-CE3 4.3Å; F430-W450 HydrophobicContact CB-CD2 4.29Å; F430-W450 HydrophobicContact CB-CG 4.41Å; F430-W450 HydrophobicContact CB-CZ2 4.24Å; F430-W450 HydrophobicContact CD2-CH2 4.08Å; F430-W450 HydrophobicContact CD2-CZ2 4.02Å; F430-W450 HydrophobicContact CD2-CZ3 4.36Å; F430-W450 HydrophobicContact CE2-CH2 4.37Å; F430-W450 HydrophobicContact CG-CZ2 4.09Å; L431-W450 HydrophobicContact CD1-CB 4.13Å; L431-W450 HydrophobicContact CD2-CB 3.55Å; L431-W450 HydrophobicContact CD2-CG 4.28Å; L431-W450 HydrophobicContact CG-CB 3.64Å; L431-W450 HydrophobicContact CG-CG 4.42Å; Y447-W450 PolarHBondContact O-N 3.47Å; T448-W450 VanDerWaalsContact C-N 3.35Å; T448-W450 PolarHBondContact O-N 3.13Å; W450-L453 HydrophobicContact CE3-CD2 4.06Å; W450-L453 HydrophobicContact CZ3-CD2 3.97Å; W450-S454 VanDerWaalsContact O-CB 3.25Å; W450-S454 WeakPolarHBondContact O-CB 3.43Å; W450-S454 PolarHBondContact O-N 3.5Å |
| 451 | N | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.8 | -42.2 | 175.1 | -91.5 | -57.3 | 0 | 0 | 0 | 112.8 | R38 L41 M436 Y443 Y447 T448 L453 S454 S455 | R38-N451 PolarHBondContact NH2-O 3.46Å; R38-N451 PolarHBondContact NH2-OD1 3.16Å; R38-N451 VanDerWaalsContact NH2-OD1 3.11Å; L41-N451 WeakPolarHBondContact O-CB 3.34Å; M436-N451 WeakPolarHBondContact CE-ND2 3.32Å; M436-N451 PolarHBondContact SD-ND2 3.17Å; M436-N451 VanDerWaalsContact SD-ND2 3.45Å; Y443-N451 HydrophobicContact CE1-CB 4.06Å; Y443-N451 HydrophobicContact CE2-CB 4.17Å; Y443-N451 VanDerWaalsContact OH-CB 3.23Å; Y443-N451 WeakPolarHBondContact OH-CB 3.42Å; Y447-N451 PolarHBondContact O-N 3.17Å; Y447-N451 PolarHBondContact O-ND2 3.32Å; T448-N451 PolarHBondContact O-N 3.03Å; T448-N451 VanDerWaalsContact O-N 3.17Å; N451-L453 VanDerWaalsContact C-N 3.34Å; N451-L453 PolarHBondContact O-N 2.89Å; N451-S454 PolarHBondContact O-N 3.04Å; N451-S455 WeakPolarHBondContact O-CB 3.42Å; N451-S455 PolarHBondContact O-N 3.03Å; N451-S455 PolarHBondContact O-OG 2.94Å; N451-S455 VanDerWaalsContact O-OG 3.12Å |
| 452 | I | 97.8 | Very high | 97.4 | Very high | 83 Ų | 83 | 52 Ų | 52 | 43% | 0.426 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.7 | -49.3 | 173.1 | -70 | 170.7 | 0 | 0 | 0 | 109.9 | G42 T448 S454 S455 V456 | G42-I452 WeakPolarHBondContact O-CG1 3.35Å; T448-I452 HydrophobicContact CG2-CD1 3.57Å; T448-I452 HydrophobicContact CG2-CG1 4.1Å; T448-I452 WeakPolarHBondContact O-CG1 3.33Å; T448-I452 PolarHBondContact O-N 2.73Å; I452-S454 VanDerWaalsContact C-N 3.32Å; I452-S454 PolarHBondContact O-N 2.85Å; I452-S455 PolarHBondContact O-N 3.07Å; I452-V456 HydrophobicContact CG2-CG2 4.37Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 2.82Å |
| 453 | L | 97.9 | Very high | 97.5 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 32% | 0.319 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 179.9 | -170.6 | 63.4 | 0 | 0 | 0 | 111.6 | L423 P427 T449 W450 N451 S455 V456 G457 | L423-L453 HydrophobicContact CD2-CD1 4.07Å; L423-L453 HydrophobicContact CD2-CG 4.38Å; P427-L453 HydrophobicContact CG-CB 4.28Å; P427-L453 HydrophobicContact CG-CD2 3.65Å; P427-L453 HydrophobicContact CG-CG 3.95Å; T449-L453 PolarHBondContact O-N 3.21Å; W450-L453 HydrophobicContact CE3-CD2 4.06Å; W450-L453 HydrophobicContact CZ3-CD2 3.97Å; N451-L453 VanDerWaalsContact C-N 3.34Å; N451-L453 PolarHBondContact O-N 2.89Å; L453-S455 PolarHBondContact O-N 3.41Å; L453-V456 PolarHBondContact O-N 3.03Å; L453-G457 PolarHBondContact O-N 3.2Å |
| 454 | S | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.6 | -42 | 176.5 | -177.2 | 0 | 0 | 0 | 0 | 112 | R38 L423 T424 Q428 W450 N451 I452 G457 S458 | R38-S454 VanDerWaalsContact CZ-OG 3.23Å; R38-S454 VanDerWaalsContact NH2-CB 3.34Å; R38-S454 PolarHBondContact NH2-OG 2.97Å; L423-S454 WeakPolarHBondContact O-CA 3.15Å; T424-S454 WeakPolarHBondContact CA-O 3.47Å; T424-S454 VanDerWaalsContact O-CB 3.24Å; T424-S454 WeakPolarHBondContact O-CB 3.42Å; T424-S454 PolarHBondContact O-OG 2.82Å; Q428-S454 PolarHBondContact NE2-OG 3.29Å; W450-S454 VanDerWaalsContact O-CB 3.25Å; W450-S454 WeakPolarHBondContact O-CB 3.43Å; W450-S454 PolarHBondContact O-N 3.5Å; N451-S454 PolarHBondContact O-N 3.04Å; I452-S454 VanDerWaalsContact C-N 3.32Å; I452-S454 PolarHBondContact O-N 2.85Å; S454-G457 PolarHBondContact O-N 2.58Å; S454-S458 PolarHBondContact O-N 3.09Å; S454-S458 VanDerWaalsContact O-N 3.14Å |
| 455 | S | 98.2 | Very high | 97.6 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 4% | 0.035 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.2 | -39.7 | 177.7 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | R38 N451 I452 L453 G457 S458 F459 | R38-S455 PolarHBondContact NE-OG 2.88Å; R38-S455 PolarHBondContact NH2-OG 3.13Å; R38-S455 WeakPolarHBondContact O-CB 3.4Å; R38-S455 PolarHBondContact O-OG 3.35Å; N451-S455 WeakPolarHBondContact O-CB 3.42Å; N451-S455 PolarHBondContact O-N 3.03Å; N451-S455 PolarHBondContact O-OG 2.94Å; N451-S455 VanDerWaalsContact O-OG 3.12Å; I452-S455 PolarHBondContact O-N 3.07Å; L453-S455 PolarHBondContact O-N 3.41Å; S455-G457 VanDerWaalsContact C-N 3.31Å; S455-G457 PolarHBondContact O-N 3.4Å; S455-S458 WeakPolarHBondContact O-CB 3.33Å; S455-S458 PolarHBondContact O-N 3.43Å; S455-S458 VanDerWaalsContact O-N 3.09Å; S455-F459 WeakPolarHBondContact O-CD2 3.25Å; S455-F459 PolarHBondContact O-N 3.29Å; S455-F459 VanDerWaalsContact O-N 3.09Å |
| 456 | V | 98.3 | Very high | 97.7 | Very high | 69 Ų | 69 | 48.6 Ų | 48.6 | 42% | 0.418 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -58.4 | -44 | 171.8 | 170.2 | 0 | 0 | 0 | 0 | 111 | I452 L453 S458 F459 I460 | I452-V456 HydrophobicContact CG2-CG2 4.37Å; I452-V456 WeakPolarHBondContact O-CG2 3.34Å; I452-V456 PolarHBondContact O-N 2.82Å; L453-V456 PolarHBondContact O-N 3.03Å; V456-S458 VanDerWaalsContact C-N 3.26Å; V456-S458 PolarHBondContact O-N 3.26Å; V456-F459 PolarHBondContact O-N 2.68Å; V456-I460 HydrophobicContact CG1-CD1 4.02Å; V456-I460 WeakPolarHBondContact O-CG1 3.38Å; V456-I460 PolarHBondContact O-N 3.19Å |
| 457 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.4 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | G420 T424 L453 S454 S455 I460 S461 | G420-G457 CarbonylContact C-O 3.25Å; G420-G457 WeakPolarHBondContact CA-O 3.2Å; G420-G457 CarbonylContact O-C 3.48Å; G420-G457 WeakPolarHBondContact O-CA 3.22Å; T424-G457 WeakPolarHBondContact OG1-CA 3.43Å; T424-G457 PolarHBondContact OG1-O 2.87Å; L453-G457 PolarHBondContact O-N 3.2Å; S454-G457 PolarHBondContact O-N 2.58Å; S455-G457 VanDerWaalsContact C-N 3.31Å; S455-G457 PolarHBondContact O-N 3.4Å; G457-I460 PolarHBondContact O-N 3.42Å; G457-S461 PolarHBondContact O-N 3.13Å; G457-S461 PolarHBondContact O-OG 3.27Å |
| 458 | S | 97.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 7% | 0.07 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 178.8 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | T424 S454 S455 V456 I460 S461 L462 | T424-S458 WeakPolarHBondContact OG1-CA 3.42Å; T424-S458 PolarHBondContact OG1-N 2.97Å; S454-S458 PolarHBondContact O-N 3.09Å; S454-S458 VanDerWaalsContact O-N 3.14Å; S455-S458 WeakPolarHBondContact O-CB 3.33Å; S455-S458 PolarHBondContact O-N 3.43Å; S455-S458 VanDerWaalsContact O-N 3.09Å; V456-S458 VanDerWaalsContact C-N 3.26Å; V456-S458 PolarHBondContact O-N 3.26Å; S458-I460 PolarHBondContact O-N 3.46Å; S458-S461 WeakPolarHBondContact O-CB 3.43Å; S458-S461 PolarHBondContact O-N 3.41Å; S458-S461 VanDerWaalsContact O-N 3.13Å; S458-L462 PolarHBondContact O-N 3.36Å |
| 459 | F | 97.6 | Very high | 97.8 | Very high | 102 Ų | 102 | 47.6 Ų | 47.6 | 45% | 0.447 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -65.8 | -35.5 | 173.8 | -73 | -69.4 | 0 | 0 | 0 | 112.9 | L35 S455 V456 S461 L462 T463 | L35-F459 HydrophobicContact CD2-CD1 4.2Å; L35-F459 HydrophobicContact CD2-CE1 4.34Å; S455-F459 WeakPolarHBondContact O-CD2 3.25Å; S455-F459 PolarHBondContact O-N 3.29Å; S455-F459 VanDerWaalsContact O-N 3.09Å; V456-F459 PolarHBondContact O-N 2.68Å; F459-S461 VanDerWaalsContact C-N 3.32Å; F459-L462 WeakPolarHBondContact O-CB 3.48Å; F459-L462 PolarHBondContact O-N 2.85Å; F459-T463 PolarHBondContact O-N 3.22Å |
| 460 | I | 98.4 | Very high | 97.8 | Very high | 49 Ų | 49 | 46.4 Ų | 46.4 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.6 | -42.8 | 170.8 | -66.7 | 166.5 | 0 | 0 | 0 | 109.9 | I416 L423 V456 G457 S458 L462 T463 A464 | I416-I460 HydrophobicContact CG2-CG2 3.86Å; L423-I460 HydrophobicContact CD1-CD1 3.75Å; V456-I460 HydrophobicContact CG1-CD1 4.02Å; V456-I460 WeakPolarHBondContact O-CG1 3.38Å; V456-I460 PolarHBondContact O-N 3.19Å; G457-I460 PolarHBondContact O-N 3.42Å; S458-I460 PolarHBondContact O-N 3.46Å; I460-L462 VanDerWaalsContact C-N 3.29Å; I460-L462 PolarHBondContact O-N 3.43Å; I460-T463 WeakPolarHBondContact O-CB 3.27Å; I460-T463 PolarHBondContact O-N 3.25Å; I460-T463 PolarHBondContact O-OG1 3.22Å; I460-A464 PolarHBondContact O-N 3.3Å |
| 461 | S | 97.2 | Very high | 97.8 | Very high | 17 Ų | 17 | 42 Ų | 42 | 12% | 0.119 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -34.2 | 178.3 | -53.1 | 0 | 0 | 0 | 0 | 112.2 | G420 V421 G457 S458 F459 T463 A464 V465 | G420-S461 WeakPolarHBondContact CA-OG 3.4Å; V421-S461 PolarHBondContact N-OG 3.31Å; G457-S461 PolarHBondContact O-N 3.13Å; G457-S461 PolarHBondContact O-OG 3.27Å; S458-S461 WeakPolarHBondContact O-CB 3.43Å; S458-S461 PolarHBondContact O-N 3.41Å; S458-S461 VanDerWaalsContact O-N 3.13Å; F459-S461 VanDerWaalsContact C-N 3.32Å; S461-T463 VanDerWaalsContact C-N 3.32Å; S461-T463 PolarHBondContact O-N 3.33Å; S461-A464 WeakPolarHBondContact O-CB 3.45Å; S461-A464 PolarHBondContact O-N 2.96Å; S461-A464 VanDerWaalsContact O-N 3.15Å; S461-V465 PolarHBondContact O-N 3.16Å; S461-V465 VanDerWaalsContact O-N 3.09Å |
| 462 | L | 97.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.288 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59 | -41.8 | 170.7 | 172.7 | 60.5 | 0 | 0 | 0 | 111.9 | L35 S458 F459 I460 A464 V465 M466 | L35-L462 HydrophobicContact CD1-CB 4.19Å; L35-L462 HydrophobicContact CD1-CD1 3.83Å; L35-L462 HydrophobicContact CD1-CD2 3.73Å; L35-L462 HydrophobicContact CD1-CG 4.1Å; L35-L462 HydrophobicContact CD2-CB 4.15Å; L35-L462 HydrophobicContact CD2-CD2 4.37Å; S458-L462 PolarHBondContact O-N 3.36Å; F459-L462 WeakPolarHBondContact O-CB 3.48Å; F459-L462 PolarHBondContact O-N 2.85Å; I460-L462 VanDerWaalsContact C-N 3.29Å; I460-L462 PolarHBondContact O-N 3.43Å; L462-A464 PolarHBondContact O-N 2.79Å; L462-V465 PolarHBondContact O-N 3.22Å; L462-V465 VanDerWaalsContact O-N 3.1Å; L462-M466 HydrophobicContact CD1-CG 4.21Å; L462-M466 HydrophobicContact CD1-SD 4.49Å; L462-M466 WeakPolarHBondContact O-CG 3.43Å; L462-M466 PolarHBondContact O-N 3.34Å |
| 463 | T | 97.9 | Very high | 97.8 | Very high | 74 Ų | 74 | 48.3 Ų | 48.3 | 45% | 0.454 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.6 | -33.9 | 177.1 | 69.3 | 0 | 0 | 0 | 0 | 112.1 | I416 F459 I460 S461 M466 L467 | I416-T463 WeakPolarHBondContact CG2-OG1 3.3Å; F459-T463 PolarHBondContact O-N 3.22Å; I460-T463 WeakPolarHBondContact O-CB 3.27Å; I460-T463 PolarHBondContact O-N 3.25Å; I460-T463 PolarHBondContact O-OG1 3.22Å; S461-T463 VanDerWaalsContact C-N 3.32Å; S461-T463 PolarHBondContact O-N 3.33Å; T463-M466 PolarHBondContact O-N 3.41Å; T463-L467 WeakPolarHBondContact O-CB 3.1Å; T463-L467 PolarHBondContact O-N 3.41Å |
| 464 | A | 97.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -43 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | H413 I416 M417 I460 S461 L462 M466 L467 M468 | H413-A464 PolarHBondContact CD2-O 2.64Å; H413-A464 PolarHBondContact NE2-O 2.75Å; I416-A464 HydrophobicContact CB-CB 4.24Å; I416-A464 HydrophobicContact CG2-CB 3.86Å; M417-A464 HydrophobicContact CB-CB 3.83Å; M417-A464 HydrophobicContact CE-CB 3.7Å; M417-A464 HydrophobicContact SD-CB 4.15Å; I460-A464 PolarHBondContact O-N 3.3Å; S461-A464 WeakPolarHBondContact O-CB 3.45Å; S461-A464 PolarHBondContact O-N 2.96Å; S461-A464 VanDerWaalsContact O-N 3.15Å; L462-A464 PolarHBondContact O-N 2.79Å; A464-M466 VanDerWaalsContact C-N 3.33Å; A464-M466 PolarHBondContact O-N 3.11Å; A464-L467 WeakPolarHBondContact O-CB 3.38Å; A464-L467 PolarHBondContact O-N 3.03Å; A464-L467 VanDerWaalsContact O-N 3.16Å; A464-M468 PolarHBondContact O-N 3.19Å |
| 465 | V | 97 | Very high | 97.7 | Very high | 31 Ų | 31 | 46.9 Ų | 46.9 | 19% | 0.188 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -43.4 | 175.5 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | T31 M417 S461 L462 L467 M468 I469 | T31-V465 HydrophobicContact CG2-CG2 4.39Å; M417-V465 HydrophobicContact CE-CG2 4.16Å; S461-V465 PolarHBondContact O-N 3.16Å; S461-V465 VanDerWaalsContact O-N 3.09Å; L462-V465 PolarHBondContact O-N 3.22Å; L462-V465 VanDerWaalsContact O-N 3.1Å; V465-L467 VanDerWaalsContact C-N 3.34Å; V465-L467 PolarHBondContact O-N 3.47Å; V465-M468 WeakPolarHBondContact O-CB 3.36Å; V465-M468 PolarHBondContact O-N 3.19Å; V465-I469 PolarHBondContact O-N 3Å |
| 466 | M | 97.7 | Very high | 97.6 | Very high | 112 Ų | 112 | 51.1 Ų | 51.1 | 55% | 0.552 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 175.9 | -64.5 | -54.4 | -66.3 | 0 | 0 | 112 | L462 T463 A464 M468 I469 F470 | L462-M466 HydrophobicContact CD1-CG 4.21Å; L462-M466 HydrophobicContact CD1-SD 4.49Å; L462-M466 WeakPolarHBondContact O-CG 3.43Å; L462-M466 PolarHBondContact O-N 3.34Å; T463-M466 PolarHBondContact O-N 3.41Å; A464-M466 VanDerWaalsContact C-N 3.33Å; A464-M466 PolarHBondContact O-N 3.11Å; M466-M468 VanDerWaalsContact C-N 3.32Å; M466-M468 PolarHBondContact O-N 3.32Å; M466-I469 PolarHBondContact O-N 3.03Å; M466-I469 HydrophobicContact SD-CD1 4.4Å; M466-F470 PolarHBondContact O-N 3.44Å |
| 467 | L | 98.1 | Very high | 97.6 | Very high | 30 Ų | 30 | 50.7 Ų | 50.7 | 16% | 0.157 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 175.1 | -179.1 | 59.3 | 0 | 0 | 0 | 112 | I412 H413 I416 T463 A464 V465 F470 M471 | I412-L467 HydrophobicContact CB-CD2 4.27Å; I412-L467 HydrophobicContact CG2-CD2 3.73Å; H413-L467 HydrophobicContact CB-CD2 3.8Å; H413-L467 HydrophobicContact CB-CG 4.19Å; I416-L467 HydrophobicContact CD1-CD2 4.15Å; T463-L467 WeakPolarHBondContact O-CB 3.1Å; T463-L467 PolarHBondContact O-N 3.41Å; A464-L467 WeakPolarHBondContact O-CB 3.38Å; A464-L467 PolarHBondContact O-N 3.03Å; A464-L467 VanDerWaalsContact O-N 3.16Å; V465-L467 VanDerWaalsContact C-N 3.34Å; V465-L467 PolarHBondContact O-N 3.47Å; L467-F470 HydrophobicContact CD1-CD1 3.95Å; L467-F470 WeakPolarHBondContact O-CB 3.21Å; L467-F470 PolarHBondContact O-N 2.94Å; L467-M471 HydrophobicContact CD1-CG 4.42Å; L467-M471 HydrophobicContact CG-CG 4.46Å; L467-M471 HydrophobicContact CG-SD 4.35Å; L467-M471 WeakPolarHBondContact O-CB 3.16Å; L467-M471 VanDerWaalsContact O-CG 3.28Å; L467-M471 WeakPolarHBondContact O-CG 3.25Å; L467-M471 PolarHBondContact O-N 3.19Å |
| 468 | M | 97.4 | Very high | 97.5 | Very high | 17 Ų | 17 | 53.1 Ų | 53.1 | 8% | 0.084 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -46.8 | 174.2 | 179.9 | 60.3 | 95.7 | 0 | 0 | 111.6 | M390 F393 H413 A464 V465 M466 F470 M471 I472 | M390-M468 HydrophobicContact CE-CE 4.44Å; M390-M468 HydrophobicContact SD-CE 3.18Å; M390-M468 WeakPolarHBondContact SD-CE 3.4Å; F393-M468 HydrophobicContact CD1-CE 3.93Å; F393-M468 HydrophobicContact CD1-SD 4.18Å; F393-M468 HydrophobicContact CE1-CE 4.22Å; F393-M468 HydrophobicContact CE1-SD 3.85Å; H413-M468 WeakPolarHBondContact CE1-CE 3.3Å; A464-M468 PolarHBondContact O-N 3.19Å; V465-M468 WeakPolarHBondContact O-CB 3.36Å; V465-M468 PolarHBondContact O-N 3.19Å; M466-M468 VanDerWaalsContact C-N 3.32Å; M466-M468 PolarHBondContact O-N 3.32Å; M468-F470 VanDerWaalsContact C-N 3.29Å; M468-F470 PolarHBondContact O-N 3.2Å; M468-M471 PolarHBondContact O-N 3.25Å; M468-I472 HydrophobicContact CG-CD1 4.14Å; M468-I472 WeakPolarHBondContact O-CG1 3.49Å; M468-I472 PolarHBondContact O-N 3.38Å; M468-I472 HydrophobicContact SD-CD1 4.27Å; M468-I472 HydrophobicContact SD-CG1 4.33Å |
| 469 | I | 97.5 | Very high | 97.3 | Very high | 85 Ų | 85 | 59 Ų | 59 | 44% | 0.436 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.5 | -44.4 | 177.3 | -63.3 | 169.5 | 0 | 0 | 0 | 110.1 | V465 M466 I472 W473 | V465-I469 PolarHBondContact O-N 3Å; M466-I469 PolarHBondContact O-N 3.03Å; M466-I469 HydrophobicContact SD-CD1 4.4Å; I469-I472 PolarHBondContact O-N 3.09Å; I469-W473 PolarHBondContact O-N 2.84Å |
| 470 | F | 98.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 57.6 Ų | 57.6 | 35% | 0.346 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.7 | -45.9 | 175.1 | 170.7 | -96.8 | 0 | 0 | 0 | 112.3 | Y409 M466 L467 M468 I472 W473 E474 | Y409-F470 HydrophobicContact CD2-CE1 4.14Å; Y409-F470 HydrophobicContact CE1-CE1 4.34Å; Y409-F470 AromaticContact CE2-CE1 3.97Å; Y409-F470 HydrophobicContact CE2-CE1 3.97Å; Y409-F470 HydrophobicContact CG-CE1 4.43Å; M466-F470 PolarHBondContact O-N 3.44Å; L467-F470 HydrophobicContact CD1-CD1 3.95Å; L467-F470 WeakPolarHBondContact O-CB 3.21Å; L467-F470 PolarHBondContact O-N 2.94Å; M468-F470 VanDerWaalsContact C-N 3.29Å; M468-F470 PolarHBondContact O-N 3.2Å; F470-I472 VanDerWaalsContact C-N 3.33Å; F470-I472 PolarHBondContact O-N 3.01Å; F470-W473 AromaticContact CD2-CE3 3.86Å; F470-W473 HydrophobicContact CD2-CE3 3.86Å; F470-W473 HydrophobicContact CD2-CZ3 4.05Å; F470-W473 AromaticContact CE2-CE3 3.87Å; F470-W473 HydrophobicContact CE2-CE3 3.87Å; F470-W473 AromaticContact CE2-CZ3 3.61Å; F470-W473 HydrophobicContact CE2-CZ3 3.61Å; F470-W473 HydrophobicContact CZ-CZ3 4.45Å; F470-W473 PolarHBondContact O-N 3.25Å; F470-E474 HydrophobicContact CE1-CB 4.34Å; F470-E474 HydrophobicContact CE1-CG 4.41Å; F470-E474 HydrophobicContact CZ-CB 4.36Å; F470-E474 HydrophobicContact CZ-CG 4.28Å; F470-E474 WeakPolarHBondContact O-CB 3.32Å; F470-E474 PolarHBondContact O-N 3.06Å |
| 471 | M | 98 | Very high | 96.8 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.015 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.1 | -41.7 | 179.3 | -77.1 | 173.1 | 50.6 | 0 | 0 | 112.5 | L405 A410 H413 L467 M468 E474 A475 | L405-M471 HydrophobicContact CB-CE 4.43Å; L405-M471 HydrophobicContact CD1-CE 4.02Å; L405-M471 HydrophobicContact CD2-CB 4.5Å; L405-M471 HydrophobicContact CD2-CE 4.4Å; A410-M471 HydrophobicContact CB-CE 3.65Å; H413-M471 HydrophobicContact CB-SD 3.62Å; L467-M471 HydrophobicContact CD1-CG 4.42Å; L467-M471 HydrophobicContact CG-CG 4.46Å; L467-M471 HydrophobicContact CG-SD 4.35Å; L467-M471 WeakPolarHBondContact O-CB 3.16Å; L467-M471 VanDerWaalsContact O-CG 3.28Å; L467-M471 WeakPolarHBondContact O-CG 3.25Å; L467-M471 PolarHBondContact O-N 3.19Å; M468-M471 PolarHBondContact O-N 3.25Å; M471-E474 PolarHBondContact O-N 2.85Å; M471-A475 WeakPolarHBondContact O-CB 3.33Å; M471-A475 PolarHBondContact O-N 3.35Å |
| 472 | I | 97.2 | Very high | 96.5 | Very high | 53 Ų | 53 | 63.3 Ų | 63.3 | 27% | 0.272 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.3 | -49.2 | 177.5 | -65.7 | 171.4 | 0 | 0 | 0 | 109.7 | F393 M468 I469 F470 E474 A475 F476 | F393-I472 HydrophobicContact CE1-CD1 4.13Å; F393-I472 HydrophobicContact CE1-CG1 4.07Å; F393-I472 HydrophobicContact CZ-CD1 3.69Å; F393-I472 HydrophobicContact CZ-CG1 3.82Å; M468-I472 HydrophobicContact CG-CD1 4.14Å; M468-I472 WeakPolarHBondContact O-CG1 3.49Å; M468-I472 PolarHBondContact O-N 3.38Å; M468-I472 HydrophobicContact SD-CD1 4.27Å; M468-I472 HydrophobicContact SD-CG1 4.33Å; I469-I472 PolarHBondContact O-N 3.09Å; F470-I472 VanDerWaalsContact C-N 3.33Å; F470-I472 PolarHBondContact O-N 3.01Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.18Å; I472-A475 PolarHBondContact O-N 3.07Å; I472-F476 HydrophobicContact CG2-CD2 3.89Å; I472-F476 HydrophobicContact CG2-CE2 3.73Å; I472-F476 WeakPolarHBondContact O-CD2 3.38Å; I472-F476 PolarHBondContact O-N 3.21Å |
| 473 | W | 97.6 | Very high | 95.9 | Very high | 163 Ų | 163 | 69.1 Ų | 69.1 | 62% | 0.617 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.2 | -46.8 | 176.3 | 168.7 | 81.3 | 0 | 0 | 0 | 111.8 | I469 F470 A475 F476 A477 | I469-W473 PolarHBondContact O-N 2.84Å; F470-W473 AromaticContact CD2-CE3 3.86Å; F470-W473 HydrophobicContact CD2-CE3 3.86Å; F470-W473 HydrophobicContact CD2-CZ3 4.05Å; F470-W473 AromaticContact CE2-CE3 3.87Å; F470-W473 HydrophobicContact CE2-CE3 3.87Å; F470-W473 AromaticContact CE2-CZ3 3.61Å; F470-W473 HydrophobicContact CE2-CZ3 3.61Å; F470-W473 HydrophobicContact CZ-CZ3 4.45Å; F470-W473 PolarHBondContact O-N 3.25Å; W473-A475 VanDerWaalsContact C-N 3.34Å; W473-A475 PolarHBondContact O-N 3.36Å; W473-F476 PolarHBondContact O-N 2.93Å; W473-A477 HydrophobicContact CZ2-CB 4.46Å; W473-A477 WeakPolarHBondContact O-CB 3.31Å; W473-A477 PolarHBondContact O-N 2.97Å |
| 474 | E | 97.8 | Very high | 95.2 | Very high | 30 Ų | 30 | 73.4 Ų | 73.4 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -62.3 | -40 | -178.6 | -170.8 | -73.5 | 144.9 | 0 | 0 | 111.4 | F470 M471 I472 A477 S478 R480 | F470-E474 HydrophobicContact CE1-CB 4.34Å; F470-E474 HydrophobicContact CE1-CG 4.41Å; F470-E474 HydrophobicContact CZ-CB 4.36Å; F470-E474 HydrophobicContact CZ-CG 4.28Å; F470-E474 WeakPolarHBondContact O-CB 3.32Å; F470-E474 PolarHBondContact O-N 3.06Å; M471-E474 PolarHBondContact O-N 2.85Å; I472-E474 VanDerWaalsContact C-N 3.33Å; I472-E474 PolarHBondContact O-N 3.18Å; E474-A477 PolarHBondContact O-N 3.49Å; E474-S478 VanDerWaalsContact O-CB 3.24Å; E474-S478 WeakPolarHBondContact O-CB 3.27Å; E474-S478 PolarHBondContact O-N 3.27Å; E474-S478 PolarHBondContact O-OG 2.92Å; E474-R480 IonicContact OE1-CZ 3.56Å; E474-R480 IonicContact OE1-NH1 2.67Å; E474-R480 PolarHBondContact OE1-NH1 3.03Å; E474-R480 IonicContact OE1-NH2 3.59Å; E474-R480 IonicContact OE2-CZ 3.42Å; E474-R480 IonicContact OE2-NH1 3.31Å; E474-R480 PolarHBondContact OE2-NH1 3.14Å; E474-R480 IonicContact OE2-NH2 2.68Å; E474-R480 PolarHBondContact OE2-NH2 3.34Å |
| 475 | A | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F397 L405 M471 I472 W473 S478 K479 | F397-A475 HydrophobicContact CE1-CB 3.78Å; F397-A475 HydrophobicContact CZ-CB 3.86Å; L405-A475 HydrophobicContact CD2-CB 3.92Å; M471-A475 WeakPolarHBondContact O-CB 3.33Å; M471-A475 PolarHBondContact O-N 3.35Å; I472-A475 PolarHBondContact O-N 3.07Å; W473-A475 VanDerWaalsContact C-N 3.34Å; W473-A475 PolarHBondContact O-N 3.36Å; A475-S478 PolarHBondContact O-OG 3.12Å; A475-K479 PolarHBondContact O-N 3.24Å |
| 476 | F | 96.6 | Very high | 93.3 | Very high | 95 Ų | 95 | 78.1 Ų | 78.1 | 42% | 0.417 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -73.8 | -30.1 | 176.4 | -74.1 | -65.3 | 0 | 0 | 0 | 113.4 | F397 Y403 I472 W473 K479 | F397-F476 HydrophobicContact CE2-CE2 4.42Å; F397-F476 HydrophobicContact CZ-CE2 4.23Å; F397-F476 HydrophobicContact CZ-CZ 4.39Å; Y403-F476 AromaticContact CD2-CD1 3.62Å; Y403-F476 HydrophobicContact CD2-CD1 3.62Å; Y403-F476 AromaticContact CD2-CE1 3.68Å; Y403-F476 HydrophobicContact CD2-CE1 3.68Å; Y403-F476 AromaticContact CE2-CD1 3.65Å; Y403-F476 HydrophobicContact CE2-CD1 3.65Å; Y403-F476 AromaticContact CE2-CE1 3.87Å; Y403-F476 HydrophobicContact CE2-CE1 3.87Å; I472-F476 HydrophobicContact CG2-CD2 3.89Å; I472-F476 HydrophobicContact CG2-CE2 3.73Å; I472-F476 WeakPolarHBondContact O-CD2 3.38Å; I472-F476 PolarHBondContact O-N 3.21Å; W473-F476 PolarHBondContact O-N 2.93Å; F476-K479 WeakPolarHBondContact O-CG 3.33Å |
| 477 | A | 97.5 | Very high | 91.8 | Very high | 60 Ų | 60 | 78.3 Ų | 78.3 | 50% | 0.496 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -72.9 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W473 E474 | W473-A477 HydrophobicContact CZ2-CB 4.46Å; W473-A477 WeakPolarHBondContact O-CB 3.31Å; W473-A477 PolarHBondContact O-N 2.97Å; E474-A477 PolarHBondContact O-N 3.49Å |
| 478 | S | 95.6 | Very high | 90.1 | Very high | 50 Ų | 50 | 79.2 Ų | 79.2 | 35% | 0.35 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -75.7 | -24.9 | -179.9 | 63.4 | 0 | 0 | 0 | 0 | 113.5 | E474 A475 R480 | E474-S478 VanDerWaalsContact O-CB 3.24Å; E474-S478 WeakPolarHBondContact O-CB 3.27Å; E474-S478 PolarHBondContact O-N 3.27Å; E474-S478 PolarHBondContact O-OG 2.92Å; A475-S478 PolarHBondContact O-OG 3.12Å; S478-R480 PolarHBondContact O-N 3.07Å; S478-R480 VanDerWaalsContact OG-CZ 3.25Å; S478-R480 PolarHBondContact OG-NH1 2.75Å; S478-R480 VanDerWaalsContact OG-NH1 3.12Å; S478-R480 PolarHBondContact OG-NH2 2.83Å |
| 479 | K | 94.1 | Very high | 88.5 | Confident | 134 Ų | 134 | 82.9 Ų | 82.9 | 58% | 0.583 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 37.1 | 178.5 | -59.5 | -179 | -179 | 175.2 | 0 | 113.4 | Y403 A475 F476 K481 | Y403-K479 HydrophobicContact CD1-CB 4.34Å; Y403-K479 HydrophobicContact CE1-CB 3.73Å; Y403-K479 HydrophobicContact CE1-CG 4.2Å; A475-K479 PolarHBondContact O-N 3.24Å; F476-K479 WeakPolarHBondContact O-CG 3.33Å; K479-K481 PolarHBondContact O-N 3.28Å |
| 480 | R | 93.2 | Very high | 87.3 | Confident | 72 Ų | 72 | 82.6 Ų | 82.6 | 27% | 0.272 | 41% | 0.413 | S | S | . | . | trans | -66.2 | 95.4 | 175.8 | -70.4 | -175.4 | -61.5 | -88.9 | -11.9 | 110.4 | Y403 T404 E474 S478 | Y403-R480 CarbonylContact C-O 3.5Å; Y403-R480 VanDerWaalsContact CA-O 3.22Å; Y403-R480 WeakPolarHBondContact CA-O 3.24Å; T404-R480 PolarHBondContact N-O 3Å; T404-R480 PolarHBondContact O-NE 2.95Å; T404-R480 PolarHBondContact O-NH2 2.91Å; T404-R480 WeakPolarHBondContact OG1-CB 3.43Å; T404-R480 PolarHBondContact OG1-O 2.98Å; E474-R480 IonicContact OE1-CZ 3.56Å; E474-R480 IonicContact OE1-NH1 2.67Å; E474-R480 PolarHBondContact OE1-NH1 3.03Å; E474-R480 IonicContact OE1-NH2 3.59Å; E474-R480 IonicContact OE2-CZ 3.42Å; E474-R480 IonicContact OE2-NH1 3.31Å; E474-R480 PolarHBondContact OE2-NH1 3.14Å; E474-R480 IonicContact OE2-NH2 2.68Å; E474-R480 PolarHBondContact OE2-NH2 3.34Å; S478-R480 PolarHBondContact O-N 3.07Å; S478-R480 VanDerWaalsContact OG-CZ 3.25Å; S478-R480 PolarHBondContact OG-NH1 2.75Å; S478-R480 VanDerWaalsContact OG-NH1 3.12Å; S478-R480 PolarHBondContact OG-NH2 2.83Å | ||
| 481 | K | 93.1 | Very high | 86.8 | Confident | 150 Ų | 150 | 80.5 Ų | 80.5 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | B | Isolated β-bridge | trans | -69.9 | 148.3 | -178.5 | -66.5 | -174.6 | 179.7 | -177.9 | 0 | 111.8 | G402 Y403 K479 L483 | G402-K481 WeakPolarHBondContact O-CA 3.49Å; Y403-K481 HydrophobicContact CD1-CG 4.25Å; Y403-K481 HydrophobicContact CE1-CG 4.01Å; K479-K481 PolarHBondContact O-N 3.28Å; K481-L483 PolarHBondContact O-N 2.85Å |
| 482 | V | 90.9 | Very high | 86.4 | Confident | 37 Ų | 37 | 81.5 Ų | 81.5 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | trans | -65.7 | 121.5 | 169.6 | -176.8 | 0 | 0 | 0 | 0 | 109.2 | P398 G402 T404 V485 C498 | P398-V482 HydrophobicContact CB-CG2 3.61Å; G402-V482 PolarHBondContact O-N 2.65Å; T404-V482 HydrophobicContact CG2-CG2 3.94Å; V482-V485 HydrophobicContact CG1-CG2 4.07Å; V482-C498 HydrophobicContact CB-CB 4.18Å; V482-C498 HydrophobicContact CG1-CB 4.37Å; V482-C498 HydrophobicContact CG2-CB 4.05Å | ||
| 483 | L | 84.8 | Confident | 86.1 | Confident | 177 Ų | 177 | 79.3 Ų | 79.3 | 93% | 0.927 | 40% | 0.399 | S | S | * | . | trans | -89 | -44 | 176.6 | -65.5 | 176.8 | 0 | 0 | 0 | 111.8 | K481 | K481-L483 PolarHBondContact O-N 2.85Š| ||
| 484 | M | 83.1 | Confident | 85.8 | Confident | 163 Ų | 163 | 72.2 Ų | 72.2 | 80% | 0.803 | 37% | 0.372 | S | S | * | . | trans | -151 | 141.8 | -179.2 | -174.3 | 174.9 | 177.9 | 0 | 0 | 109.1 | ||||
| 485 | V | 83.1 | Confident | 85.4 | Confident | 26 Ų | 26 | 74.6 Ų | 74.6 | 16% | 0.158 | 39% | 0.385 | C | S | . | . | trans | -95 | 134 | 169 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | V482 W494 | V482-V485 HydrophobicContact CG1-CG2 4.07Å; V485-W494 HydrophobicContact CG1-CB 3.93Å; V485-W494 HydrophobicContact CG1-CD2 3.88Å; V485-W494 HydrophobicContact CG1-CE3 3.83Å; V485-W494 HydrophobicContact CG1-CG 3.92Å; V485-W494 HydrophobicContact CG2-CE3 3.99Å | ||
| 486 | E | 71.4 | Confident | 85 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 49% | 0.491 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -73 | 131.4 | 174.8 | -62.3 | -173.3 | 175.6 | 0 | 0 | 109.4 | Y260 K333 | Y260-E486 WeakPolarHBondContact CE2-O 3.29Å; Y260-E486 PolarHBondContact OH-O 3.1Å; K333-E486 IonicContact NZ-OE1 3.81Å; K333-E486 PolarHBondContact NZ-OE1 2.99Å; K333-E486 IonicContact NZ-OE2 2.68Å; K333-E486 PolarHBondContact NZ-OE2 3.41Å |
| 487 | E | 66.3 | Low | 84.6 | Confident | 116 Ų | 116 | 76.7 Ų | 76.7 | 54% | 0.542 | 40% | 0.402 | S | S | . | . | trans | 49.7 | 57.5 | 175 | -60.9 | -63 | 155.3 | 0 | 0 | 116.3 | S489 | E487-S489 PolarHBondContact O-N 3.32Š| ||
| 488 | P | 61.8 | Low | 84.4 | Confident | 49 Ų | 49 | 75.2 Ų | 75.2 | 32% | 0.318 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -69.3 | -16 | -178.7 | 30.4 | -35.7 | 0 | 0 | 0 | 113.3 | M490 N491 W494 L495 | P488-M490 VanDerWaalsContact C-N 3.28Å; P488-M490 PolarHBondContact O-N 3.34Å; P488-N491 PolarHBondContact O-N 3.07Å; P488-W494 HydrophobicContact CB-CB 4.3Å; P488-L495 VanDerWaalsContact O-CD2 3.28Å; P488-L495 WeakPolarHBondContact O-CD2 3.35Å |
| 489 | S | 63.2 | Low | 84.3 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -70.7 | -20.3 | -173.7 | 64 | 0 | 0 | 0 | 0 | 114.1 | E487 | E487-S489 PolarHBondContact O-N 3.32Š|
| 490 | M | 73.9 | Confident | 84.2 | Confident | 80 Ų | 80 | 70.3 Ų | 70.3 | 39% | 0.394 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -94.2 | -16.3 | -177.8 | -59.2 | -171.7 | -170.6 | 0 | 0 | 113.5 | K265 P488 | K265-M490 HydrophobicContact CB-SD 4.3Å; K265-M490 HydrophobicContact CG-CE 3.85Å; K265-M490 HydrophobicContact CG-SD 3.79Å; P488-M490 VanDerWaalsContact C-N 3.28Å; P488-M490 PolarHBondContact O-N 3.34Å |
| 491 | N | 85.9 | Confident | 84.2 | Confident | 34 Ų | 34 | 70.3 Ų | 70.3 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | trans | -132.5 | 110.8 | -171.2 | -68.7 | -59.4 | 0 | 0 | 0 | 110 | P488 E493 W494 | P488-N491 PolarHBondContact O-N 3.07Å; N491-E493 PolarHBondContact O-N 3.41Å; N491-W494 PolarHBondContact O-N 3.15Å | ||
| 492 | L | 89.4 | Confident | 84 | Confident | 25 Ų | 25 | 68.6 Ų | 68.6 | 13% | 0.131 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -59 | -32.3 | -172.4 | -66.5 | -178 | 0 | 0 | 0 | 113.1 | L85 M176 W494 L495 V509 M511 | L85-L492 WeakPolarHBondContact O-CB 3.18Å; M176-L492 HydrophobicContact CE-CD1 4.19Å; L492-W494 PolarHBondContact O-N 3.39Å; L492-L495 HydrophobicContact CB-CD1 4.48Å; L492-L495 HydrophobicContact CD2-CD1 3.57Å; L492-L495 WeakPolarHBondContact O-CB 3.32Å; L492-L495 PolarHBondContact O-N 3.25Å; L492-V509 HydrophobicContact CD2-CG1 3.86Å; L492-M511 HydrophobicContact CD1-SD 4.35Å; L492-M511 HydrophobicContact CD2-SD 4.32Å |
| 493 | E | 92.3 | Very high | 83.8 | Confident | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.028 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -64.6 | -21.6 | -176.3 | 70.4 | -84.4 | -161.8 | 0 | 0 | 113.5 | L85 M86 L399 N491 | L85-E493 HydrophobicContact CB-CB 3.82Å; L85-E493 HydrophobicContact CD1-CB 4.27Å; M86-E493 HydrophobicContact CE-CG 4.41Å; M86-E493 HydrophobicContact CG-CB 4.48Å; L399-E493 WeakPolarHBondContact CD1-O 3.35Å; L399-E493 HydrophobicContact CD2-CB 4.1Å; L399-E493 HydrophobicContact CD2-CG 4.1Å; N491-E493 PolarHBondContact O-N 3.41Å |
| 494 | W | 91.8 | Very high | 83.9 | Confident | 14 Ų | 14 | 65 Ų | 65 | 5% | 0.053 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -95.3 | -5.5 | -178.5 | -60.3 | 101.3 | 0 | 0 | 0 | 114.2 | H395 W396 P398 L399 V485 P488 N491 L492 Y496 | H395-W494 AromaticContact CE1-CZ2 3.86Å; H395-W494 AromaticContact NE2-CZ2 3.92Å; H395-W494 WeakPolarHBondContact O-CH2 3.46Å; W396-W494 AromaticContact CD1-CZ2 3.48Å; W396-W494 VanDerWaalsContact CD1-CZ2 3.48Å; W396-W494 HydrophobicContact CG-CZ2 4.41Å; W396-W494 AromaticContact NE1-CZ2 3.93Å; P398-W494 HydrophobicContact CB-CZ3 4.39Å; L399-W494 HydrophobicContact CB-CE3 4.22Å; L399-W494 HydrophobicContact CB-CH2 3.69Å; L399-W494 HydrophobicContact CB-CZ2 4.46Å; L399-W494 HydrophobicContact CB-CZ3 3.55Å; L399-W494 HydrophobicContact CD1-CE3 3.99Å; L399-W494 HydrophobicContact CD1-CZ3 4.18Å; L399-W494 HydrophobicContact CG-CZ3 4.39Å; V485-W494 HydrophobicContact CG1-CB 3.93Å; V485-W494 HydrophobicContact CG1-CD2 3.88Å; V485-W494 HydrophobicContact CG1-CE3 3.83Å; V485-W494 HydrophobicContact CG1-CG 3.92Å; V485-W494 HydrophobicContact CG2-CE3 3.99Å; P488-W494 HydrophobicContact CB-CB 4.3Å; N491-W494 PolarHBondContact O-N 3.15Å; L492-W494 PolarHBondContact O-N 3.39Å; W494-Y496 PolarHBondContact O-N 2.91Å |
| 495 | L | 88.6 | Confident | 84.2 | Confident | 80 Ų | 80 | 57.6 Ų | 57.6 | 42% | 0.419 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -37.7 | -171.6 | -71.7 | 176.5 | 0 | 0 | 0 | 113.9 | P488 L492 G497 | P488-L495 VanDerWaalsContact O-CD2 3.28Å; P488-L495 WeakPolarHBondContact O-CD2 3.35Å; L492-L495 HydrophobicContact CB-CD1 4.48Å; L492-L495 HydrophobicContact CD2-CD1 3.57Å; L492-L495 WeakPolarHBondContact O-CB 3.32Å; L492-L495 PolarHBondContact O-N 3.25Å; L495-G497 PolarHBondContact O-N 3.46Å |
| 496 | Y | 88.4 | Confident | 84.2 | Confident | 105 Ų | 105 | 64.7 Ų | 64.7 | 41% | 0.412 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 27.8 | -171.1 | -67.4 | -89.8 | 0 | 0 | 0 | 113.4 | W494 P500 P501 T504 F505 | W494-Y496 PolarHBondContact O-N 2.91Å; Y496-P500 WeakPolarHBondContact O-CA 3.25Å; Y496-P501 WeakPolarHBondContact O-CD 3.49Å; Y496-T504 HydrophobicContact CD1-CG2 4.28Å; Y496-T504 HydrophobicContact CD2-CG2 3.3Å; Y496-T504 HydrophobicContact CE2-CG2 3.95Å; Y496-T504 HydrophobicContact CG-CG2 3.49Å; Y496-T504 VanDerWaalsContact CG-CG2 3.49Å; Y496-F505 HydrophobicContact CD2-CE1 4.07Å; Y496-F505 HydrophobicContact CD2-CZ 4.41Å; Y496-F505 AromaticContact CE2-CD1 3.73Å; Y496-F505 HydrophobicContact CE2-CD1 3.73Å; Y496-F505 AromaticContact CE2-CE1 3.42Å; Y496-F505 HydrophobicContact CE2-CE1 3.42Å; Y496-F505 VanDerWaalsContact CE2-CE1 3.42Å; Y496-F505 HydrophobicContact CE2-CZ 4.19Å |
| 497 | G | 88.1 | Confident | 84.7 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 35% | 0.351 | S | S | . | . | trans | 81 | -175.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L495 | L495-G497 PolarHBondContact O-N 3.46Š| ||
| 498 | C | 92.6 | Very high | 85.3 | Confident | 29 Ų | 29 | 66.6 Ų | 66.6 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -134.5 | 104.2 | -172.6 | -69.4 | 0 | 0 | 0 | 0 | 109.8 | P398 G402 V482 | P398-C498 WeakPolarHBondContact O-CB 3Å; G402-C498 VanDerWaalsContact CA-O 3.23Å; G402-C498 WeakPolarHBondContact CA-O 3.22Å; V482-C498 HydrophobicContact CB-CB 4.18Å; V482-C498 HydrophobicContact CG1-CB 4.37Å; V482-C498 HydrophobicContact CG2-CB 4.05Å |
| 499 | P | 93.8 | Very high | 86.1 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 47% | 0.468 | 35% | 0.347 | S | S | . | . | S | Bend | cis | -79.7 | 153.9 | -3.2 | 33.7 | -35.1 | 0 | 0 | 0 | 113.2 | L399 | L399-P499 VanDerWaalsContact O-CA 3.31Å; L399-P499 WeakPolarHBondContact O-CA 3.42Å; L399-P499 WeakPolarHBondContact O-CB 3.39Å |
| 500 | P | 93 | Very high | 86.6 | Confident | 10 Ų | 10 | 69.6 Ų | 69.6 | 7% | 0.065 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 147.3 | 177 | 26.9 | -33 | 0 | 0 | 0 | 112.3 | K13 W81 L85 L399 Y496 T504 | K13-P500 PolarHBondContact NZ-O 3.08Å; W81-P500 HydrophobicContact CZ3-CG 4.42Å; L85-P500 HydrophobicContact CD1-CG 4.2Å; L399-P500 HydrophobicContact CD1-CG 4.26Å; Y496-P500 WeakPolarHBondContact O-CA 3.25Å; P500-T504 HydrophobicContact CB-CG2 4.47Å |
| 501 | P | 92.3 | Very high | 86.4 | Confident | 72 Ų | 72 | 69 Ų | 69 | 47% | 0.468 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 152.6 | 179 | -23 | 32.1 | 0 | 0 | 0 | 113.2 | K13 Y496 H503 T504 | K13-P501 PolarHBondContact NZ-O 3.21Å; Y496-P501 WeakPolarHBondContact O-CD 3.49Å; P501-H503 VanDerWaalsContact C-N 3.29Å; P501-H503 PolarHBondContact O-N 2.83Å; P501-T504 PolarHBondContact O-OG1 3.48Å |
| 502 | Y | 88.3 | Confident | 85.4 | Confident | 113 Ų | 113 | 75.7 Ų | 75.7 | 44% | 0.443 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -52.8 | -44.5 | -176.8 | -66.6 | -72.4 | 0 | 0 | 0 | 113.6 | R5 N11 | R5-Y502 PolarHBondContact NE-OH 2.64Å; R5-Y502 PolarHBondContact NH1-OH 2.67Å; R5-Y502 PolarHBondContact NH2-OH 3.41Å; N11-Y502 PolarHBondContact ND2-O 3.24Å |
| 503 | H | 87.3 | Confident | 83.6 | Confident | 131 Ų | 131 | 82.5 Ų | 82.5 | 61% | 0.606 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -100.2 | 103.7 | 169.5 | -63.1 | -67.3 | 0 | 0 | 0 | 108.7 | P501 | P501-H503 VanDerWaalsContact C-N 3.29Å; P501-H503 PolarHBondContact O-N 2.83Å |
| 504 | T | 87.9 | Confident | 83.2 | Confident | 8 Ų | 8 | 86.3 Ų | 86.3 | 5% | 0.049 | 45% | 0.445 | C | S | . | . | trans | -83.9 | -52.9 | -174 | -43.6 | 0 | 0 | 0 | 0 | 112.4 | K13 L85 Y496 P500 P501 | K13-T504 PolarHBondContact NZ-OG1 3.34Å; L85-T504 HydrophobicContact CD2-CG2 4.08Å; Y496-T504 HydrophobicContact CD1-CG2 4.28Å; Y496-T504 HydrophobicContact CD2-CG2 3.3Å; Y496-T504 HydrophobicContact CE2-CG2 3.95Å; Y496-T504 HydrophobicContact CG-CG2 3.49Å; Y496-T504 VanDerWaalsContact CG-CG2 3.49Å; P500-T504 HydrophobicContact CB-CG2 4.47Å; P501-T504 PolarHBondContact O-OG1 3.48Å | ||
| 505 | F | 87.8 | Confident | 82.7 | Confident | 7 Ų | 7 | 90.1 Ų | 90.1 | 3% | 0.031 | 47% | 0.465 | C | S | . | . | trans | -108.9 | 91.4 | -172.1 | -56.1 | -79.7 | 0 | 0 | 0 | 109.6 | L85 A89 Y496 V509 | L85-F505 HydrophobicContact CD2-CE2 4.05Å; A89-F505 VanDerWaalsContact O-CD2 3.31Å; A89-F505 WeakPolarHBondContact O-CD2 3.49Å; Y496-F505 HydrophobicContact CD2-CE1 4.07Å; Y496-F505 HydrophobicContact CD2-CZ 4.41Å; Y496-F505 AromaticContact CE2-CD1 3.73Å; Y496-F505 HydrophobicContact CE2-CD1 3.73Å; Y496-F505 AromaticContact CE2-CE1 3.42Å; Y496-F505 HydrophobicContact CE2-CE1 3.42Å; Y496-F505 VanDerWaalsContact CE2-CE1 3.42Å; Y496-F505 HydrophobicContact CE2-CZ 4.19Å; F505-V509 HydrophobicContact CD1-CG2 3.21Å; F505-V509 HydrophobicContact CE1-CG2 3.3Å; F505-V509 HydrophobicContact CG-CG2 4.19Å; F505-V509 HydrophobicContact CZ-CG2 4.37Å | ||
| 506 | E | 83.4 | Confident | 82.4 | Confident | 176 Ų | 176 | 90.7 Ų | 90.7 | 82% | 0.822 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -76.2 | -31 | 172.9 | -64.3 | -174.5 | 173.4 | 0 | 0 | 111.6 | ||
| 507 | E | 81.4 | Confident | 82.1 | Confident | 159 Ų | 159 | 89.8 Ų | 89.8 | 74% | 0.743 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -116.8 | 147.8 | 174.8 | -64.4 | -175.3 | 172.1 | 0 | 0 | 110.7 | V509 | E507-V509 PolarHBondContact O-N 3.03Š|
| 508 | P | 79.4 | Confident | 81.7 | Confident | 101 Ų | 101 | 93.3 Ų | 93.3 | 66% | 0.656 | 48% | 0.479 | S | S | * | . | trans | -58.4 | 130.3 | 175.9 | -22.9 | 33.2 | 0 | 0 | 0 | 111.7 | Y510 | P508-Y510 PolarHBondContact O-N 2.87Š| ||
| 509 | V | 79.3 | Confident | 81 | Confident | 21 Ų | 21 | 97.6 Ų | 97.6 | 13% | 0.127 | 50% | 0.498 | C | S | . | . | trans | -61.4 | 124 | 178.2 | -176.5 | 0 | 0 | 0 | 0 | 110.4 | P173 L492 F505 E507 M511 | P173-V509 HydrophobicContact CG-CB 4.21Å; L492-V509 HydrophobicContact CD2-CG1 3.86Å; F505-V509 HydrophobicContact CD1-CG2 3.21Å; F505-V509 HydrophobicContact CE1-CG2 3.3Å; F505-V509 HydrophobicContact CG-CG2 4.19Å; F505-V509 HydrophobicContact CZ-CG2 4.37Å; E507-V509 PolarHBondContact O-N 3.03Å; V509-M511 HydrophobicContact CG1-CG 4.46Å; V509-M511 HydrophobicContact CG1-SD 4.46Å; V509-M511 PolarHBondContact O-N 3.44Å | ||
| 510 | Y | 73.8 | Confident | 80 | Confident | 185 Ų | 185 | 99.4 Ų | 99.4 | 73% | 0.725 | 50% | 0.5 | S | S | * | . | trans | -79.8 | 115.3 | 171.2 | -177.3 | -102.3 | 0 | 0 | 0 | 110.3 | P508 K512 | P508-Y510 PolarHBondContact O-N 2.87Å; Y510-K512 HydrophobicContact CD1-CG 4.39Å; Y510-K512 HydrophobicContact CE1-CG 3.61Å | ||
| 511 | M | 69.3 | Low | 79 | Confident | 66 Ų | 66 | 106.3 Ų | 106.3 | 33% | 0.325 | 53% | 0.533 | S | S | . | . | trans | -101.3 | 120 | 176.2 | -65.5 | -83.3 | -73.3 | 0 | 0 | 109.1 | M176 L492 V509 | M176-M511 HydrophobicContact CE-CE 3.64Å; M176-M511 HydrophobicContact CE-CG 4.45Å; M176-M511 HydrophobicContact CE-SD 4.18Å; L492-M511 HydrophobicContact CD1-SD 4.35Å; L492-M511 HydrophobicContact CD2-SD 4.32Å; V509-M511 HydrophobicContact CG1-CG 4.46Å; V509-M511 HydrophobicContact CG1-SD 4.46Å; V509-M511 PolarHBondContact O-N 3.44Å | ||
| 512 | K | 64.4 | Low | 77.9 | Confident | 175 Ų | 175 | 109.2 Ų | 109.2 | 76% | 0.761 | 54% | 0.539 | S | S | * | . | trans | -77.4 | 126.6 | 163.9 | -80.5 | -172.5 | 175 | 176.4 | 0 | 108.2 | Y510 | Y510-K512 HydrophobicContact CD1-CG 4.39Å; Y510-K512 HydrophobicContact CE1-CG 3.61Å | ||
| 513 | S | 52.8 | Low | 77 | Confident | 168 Ų | 168 | 108.8 Ų | 108.8 | 100% | 1.175 | 55% | 0.547 | S | S | * | . | trans | -50.6 | 0 | 180 | 58.8 | 0 | 0 | 0 | 0 | 113.9 |
Retrieved 513 of 513 residues in 672.4 ms
(Link to these results)