| 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 | 84.8 | Confident | 95.5 | Very high | 197 Ų | 197 | 92.4 Ų | 92.4 | 97% | 0.97 | 45% | 0.448 | S | S | * | . | 0 | -58.8 | 0 | -148 | 177.8 | -149 | 0 | 0 | 112.9 | D4 R5 | M1-D4 WeakPolarHBondContact CA-OD2 3.19Å; M1-D4 PolarHBondContact N-OD2 3.33Å; M1-R5 WeakPolarHBondContact O-CB 3.29Å; M1-R5 PolarHBondContact O-N 3.48Å | |||
| 2 | F | 94.4 | Very high | 95.7 | Very high | 149 Ų | 149 | 85 Ų | 85 | 65% | 0.654 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.3 | -53.5 | 177.6 | 179 | -89.9 | 0 | 0 | 0 | 112.6 | D4 R5 W6 | F2-D4 VanDerWaalsContact C-N 3.33Å; F2-D4 PolarHBondContact O-N 2.7Å; F2-R5 PolarHBondContact O-N 3.23Å; F2-W6 AromaticContact CD2-CD1 3.4Å; F2-W6 AromaticContact CD2-NE1 3.85Å; F2-W6 AromaticContact CE2-CD1 3.34Å; F2-W6 HydrophobicContact CE2-CG 4.19Å; F2-W6 AromaticContact CE2-NE1 3.78Å; F2-W6 AromaticContact CG-CD1 3.94Å; F2-W6 HydrophobicContact CZ-CB 4.43Å; F2-W6 AromaticContact CZ-CD1 3.85Å; F2-W6 HydrophobicContact CZ-CG 4.33Å; F2-W6 PolarHBondContact O-N 2.98Å |
| 3 | A | 94.6 | Very high | 96 | Very high | 36 Ų | 36 | 84.2 Ų | 84.2 | 30% | 0.298 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.5 | -44.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R5 W6 L7 F8 | A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3Å; A3-W6 PolarHBondContact O-N 3.06Å; A3-L7 HydrophobicContact CB-CD1 4.05Å; A3-L7 WeakPolarHBondContact O-CA 3.38Å; A3-L7 VanDerWaalsContact O-CB 3.32Å; A3-L7 WeakPolarHBondContact O-CB 3.3Å; A3-L7 PolarHBondContact O-N 3.38Å; A3-F8 PolarHBondContact O-N 2.7Å |
| 4 | D | 94.9 | Very high | 96.1 | Very high | 101 Ų | 101 | 79.6 Ų | 79.6 | 54% | 0.54 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 179.1 | -47.2 | -52.1 | 0 | 0 | 0 | 112.2 | M1 F2 F8 S9 | M1-D4 WeakPolarHBondContact CA-OD2 3.19Å; M1-D4 PolarHBondContact N-OD2 3.33Å; F2-D4 VanDerWaalsContact C-N 3.33Å; F2-D4 PolarHBondContact O-N 2.7Å; D4-F8 CarbonylContact O-C 3.59Å; D4-F8 VanDerWaalsContact O-C 3.29Å; D4-S9 PolarHBondContact O-N 2.94Å |
| 5 | R | 96.3 | Very high | 96.3 | Very high | 132 Ų | 132 | 74.3 Ų | 74.3 | 50% | 0.498 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -74.8 | -40.7 | -178.2 | -175.7 | 174.8 | 177.3 | 178.9 | -4.9 | 113.1 | M1 F2 A3 S9 D14 | M1-R5 WeakPolarHBondContact O-CB 3.29Å; M1-R5 PolarHBondContact O-N 3.48Å; F2-R5 PolarHBondContact O-N 3.23Å; A3-R5 VanDerWaalsContact C-N 3.32Å; A3-R5 PolarHBondContact O-N 3Å; R5-S9 WeakPolarHBondContact O-CB 3.36Å; R5-S9 PolarHBondContact O-OG 2.87Å; R5-D14 WeakPolarHBondContact CG-OD2 3.31Å; R5-D14 IonicContact CZ-OD1 3.56Å; R5-D14 IonicContact NE-OD1 2.78Å; R5-D14 PolarHBondContact NE-OD1 3.29Å; R5-D14 IonicContact NE-OD2 3.59Å; R5-D14 PolarHBondContact NE-OD2 3.15Å; R5-D14 IonicContact NH2-OD1 2.86Å; R5-D14 PolarHBondContact NH2-OD1 3.09Å |
| 6 | W | 96.9 | Very high | 96.5 | Very high | 58 Ų | 58 | 69.7 Ų | 69.7 | 22% | 0.22 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -105.9 | -41.7 | -169.4 | -62.1 | 112.4 | 0 | 0 | 0 | 113.8 | F2 A3 D14 T17 L18 | F2-W6 AromaticContact CD2-CD1 3.4Å; F2-W6 AromaticContact CD2-NE1 3.85Å; F2-W6 AromaticContact CE2-CD1 3.34Å; F2-W6 HydrophobicContact CE2-CG 4.19Å; F2-W6 AromaticContact CE2-NE1 3.78Å; F2-W6 AromaticContact CG-CD1 3.94Å; F2-W6 HydrophobicContact CZ-CB 4.43Å; F2-W6 AromaticContact CZ-CD1 3.85Å; F2-W6 HydrophobicContact CZ-CG 4.33Å; F2-W6 PolarHBondContact O-N 2.98Å; A3-W6 PolarHBondContact O-N 3.06Å; W6-D14 HydrophobicContact CE3-CB 4.24Å; W6-D14 HydrophobicContact CZ3-CB 4Å; W6-T17 HydrophobicContact CH2-CG2 4.47Å; W6-T17 HydrophobicContact CZ3-CG2 4.41Å; W6-L18 HydrophobicContact CE3-CD1 4.4Å; W6-L18 HydrophobicContact CE3-CD2 3.91Å; W6-L18 HydrophobicContact CE3-CG 4.03Å; W6-L18 HydrophobicContact CZ3-CD2 4.46Å; W6-L18 HydrophobicContact CZ3-CG 4.42Å; W6-L18 WeakPolarHBondContact O-CD1 3.48Å |
| 7 | L | 96.4 | Very high | 96.6 | Very high | 71 Ų | 71 | 68.1 Ų | 68.1 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -44.6 | -179.2 | -57.1 | 178.2 | 0 | 0 | 0 | 111.1 | A3 N99 W103 | A3-L7 HydrophobicContact CB-CD1 4.05Å; A3-L7 WeakPolarHBondContact O-CA 3.38Å; A3-L7 VanDerWaalsContact O-CB 3.32Å; A3-L7 WeakPolarHBondContact O-CB 3.3Å; A3-L7 PolarHBondContact O-N 3.38Å; L7-N99 PolarHBondContact O-ND2 2.59Å; L7-W103 HydrophobicContact CB-CZ2 4.49Å; L7-W103 HydrophobicContact CD2-CH2 3.4Å; L7-W103 HydrophobicContact CD2-CZ2 3.43Å; L7-W103 VanDerWaalsContact CD2-CZ2 3.43Å; L7-W103 HydrophobicContact CD2-CZ3 4.43Å; L7-W103 PolarHBondContact O-NE1 2.77Å |
| 8 | F | 97.6 | Very high | 96.7 | Very high | 143 Ų | 143 | 65.7 Ų | 65.7 | 63% | 0.627 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -102.9 | 25.4 | -178.9 | -51.8 | -46.2 | 0 | 0 | 0 | 112.8 | A3 D4 | A3-F8 PolarHBondContact O-N 2.7Å; D4-F8 CarbonylContact O-C 3.59Å; D4-F8 VanDerWaalsContact O-C 3.29Å |
| 9 | S | 97.8 | Very high | 96.8 | Very high | 5 Ų | 5 | 62.7 Ų | 62.7 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | trans | -59 | 144.2 | -178.1 | -155.3 | 0 | 0 | 0 | 0 | 111.8 | D4 R5 N11 D14 N99 | D4-S9 PolarHBondContact O-N 2.94Å; R5-S9 WeakPolarHBondContact O-CB 3.36Å; R5-S9 PolarHBondContact O-OG 2.87Å; S9-N11 PolarHBondContact OG-N 3.34Å; S9-D14 WeakPolarHBondContact OG-CB 3.39Å; S9-N99 VanDerWaalsContact O-CB 3.25Å; S9-N99 WeakPolarHBondContact O-CB 3.36Å; S9-N99 PolarHBondContact O-ND2 3.44Å | ||
| 10 | T | 98 | Very high | 96.9 | Very high | 66 Ų | 66 | 62 Ų | 62 | 41% | 0.405 | 30% | 0.303 | S | S | . | . | trans | -118.7 | -0 | 161.4 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | D91 P95 R96 | T10-D91 VanDerWaalsContact O-OD2 3.1Å; T10-P95 HydrophobicContact CG2-CB 4.32Å; T10-P95 WeakPolarHBondContact O-CB 3.37Å; T10-R96 HydrophobicContact CG2-CG 3.95Å | ||
| 11 | N | 98.4 | Very high | 97 | Very high | 58 Ų | 58 | 64.4 Ų | 64.4 | 31% | 0.31 | 32% | 0.316 | S | S | . | . | trans | -85.1 | 125.2 | -175.6 | -173.3 | -77.9 | 0 | 0 | 0 | 110.8 | S9 K13 D14 I15 | S9-N11 PolarHBondContact OG-N 3.34Å; N11-K13 PolarHBondContact O-N 3.4Å; N11-K13 VanDerWaalsContact O-N 3.12Å; N11-K13 WeakPolarHBondContact OD1-CA 3.47Å; N11-K13 WeakPolarHBondContact OD1-CB 3.3Å; N11-K13 PolarHBondContact OD1-N 2.65Å; N11-D14 HydrophobicContact CB-CB 4.31Å; N11-D14 PolarHBondContact O-N 3.29Å; N11-D14 PolarHBondContact OD1-N 2.86Å; N11-I15 WeakPolarHBondContact O-CG1 3.17Å; N11-I15 PolarHBondContact O-N 2.89Å | ||
| 12 | H | 98.6 | Very high | 97.7 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56 | -28.6 | 178.9 | 71.6 | 102.5 | 0 | 0 | 0 | 115 | G16 N80 P84 D91 M92 | H12-G16 WeakPolarHBondContact O-CA 3.32Å; H12-G16 PolarHBondContact O-N 3.29Å; H12-N80 PolarHBondContact ND1-O 2.96Å; H12-P84 HydrophobicContact CB-CG 4.29Å; H12-D91 VanDerWaalsContact CB-OD1 3.24Å; H12-D91 WeakPolarHBondContact CB-OD1 3.36Å; H12-D91 IonicContact CD2-OD1 3.46Å; H12-D91 PolarHBondContact CD2-OD1 2.97Å; H12-D91 IonicContact CG-OD1 3.67Å; H12-D91 PolarHBondContact N-OD1 3.47Å; H12-M92 HydrophobicContact CB-CG 3.82Å |
| 13 | K | 98.8 | Very high | 97.9 | Very high | 75 Ų | 75 | 49.1 Ų | 49.1 | 33% | 0.326 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -77.8 | -41.7 | -179.9 | -54 | 176.8 | -178.7 | 175.5 | 0 | 111.9 | N11 T17 W81 | N11-K13 PolarHBondContact O-N 3.4Å; N11-K13 VanDerWaalsContact O-N 3.12Å; N11-K13 WeakPolarHBondContact OD1-CA 3.47Å; N11-K13 WeakPolarHBondContact OD1-CB 3.3Å; N11-K13 PolarHBondContact OD1-N 2.65Å; K13-T17 WeakPolarHBondContact O-CB 3.49Å; K13-T17 PolarHBondContact O-N 3.49Å; K13-T17 PolarHBondContact O-OG1 2.93Å; K13-W81 HydrophobicContact CB-CZ2 4.43Å; K13-W81 HydrophobicContact CD-CE3 4.34Å; K13-W81 HydrophobicContact CD-CH2 3.67Å; K13-W81 HydrophobicContact CD-CZ2 4.19Å; K13-W81 HydrophobicContact CD-CZ3 3.7Å; K13-W81 HydrophobicContact CG-CD2 4.29Å; K13-W81 HydrophobicContact CG-CE3 4.05Å; K13-W81 HydrophobicContact CG-CH2 4.15Å; K13-W81 HydrophobicContact CG-CZ2 4.37Å; K13-W81 HydrophobicContact CG-CZ3 3.92Å |
| 14 | D | 98.6 | Very high | 98.1 | Very high | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.107 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -46.3 | 175.4 | -70.8 | -30.5 | 0 | 0 | 0 | 109.4 | R5 W6 S9 N11 T17 L18 | R5-D14 WeakPolarHBondContact CG-OD2 3.31Å; R5-D14 IonicContact CZ-OD1 3.56Å; R5-D14 IonicContact NE-OD1 2.78Å; R5-D14 PolarHBondContact NE-OD1 3.29Å; R5-D14 IonicContact NE-OD2 3.59Å; R5-D14 PolarHBondContact NE-OD2 3.15Å; R5-D14 IonicContact NH2-OD1 2.86Å; R5-D14 PolarHBondContact NH2-OD1 3.09Å; W6-D14 HydrophobicContact CE3-CB 4.24Å; W6-D14 HydrophobicContact CZ3-CB 4Å; S9-D14 WeakPolarHBondContact OG-CB 3.39Å; N11-D14 HydrophobicContact CB-CB 4.31Å; N11-D14 PolarHBondContact O-N 3.29Å; N11-D14 PolarHBondContact OD1-N 2.86Å; D14-T17 WeakPolarHBondContact O-CB 3.46Å; D14-T17 PolarHBondContact O-N 2.91Å; D14-L18 WeakPolarHBondContact O-CG 3.44Å; D14-L18 PolarHBondContact O-N 3.06Å |
| 15 | I | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 176.2 | -62.8 | 164.9 | 0 | 0 | 0 | 111.3 | N11 T17 L18 Y19 N98 N99 F102 | N11-I15 WeakPolarHBondContact O-CG1 3.17Å; N11-I15 PolarHBondContact O-N 2.89Å; I15-T17 VanDerWaalsContact C-N 3.25Å; I15-T17 PolarHBondContact O-N 3.34Å; I15-L18 WeakPolarHBondContact O-CB 3.41Å; I15-L18 PolarHBondContact O-N 2.92Å; I15-L18 VanDerWaalsContact O-N 3.12Å; I15-Y19 HydrophobicContact CG2-CD2 3.87Å; I15-Y19 HydrophobicContact CG2-CE2 3.74Å; I15-Y19 WeakPolarHBondContact O-CD2 3.46Å; I15-Y19 PolarHBondContact O-N 3.31Å; I15-N98 HydrophobicContact CD1-CB 4.12Å; I15-N99 HydrophobicContact CD1-CB 3.91Å; I15-F102 HydrophobicContact CG2-CB 4.15Å |
| 16 | G | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.8 | -36 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | H12 Y19 L20 G77 | H12-G16 WeakPolarHBondContact O-CA 3.32Å; H12-G16 PolarHBondContact O-N 3.29Å; G16-Y19 PolarHBondContact O-N 3.2Å; G16-L20 WeakPolarHBondContact O-CG 3.41Å; G16-L20 PolarHBondContact O-N 3.25Å; G16-L20 VanDerWaalsContact O-N 3.1Å; G16-G77 WeakPolarHBondContact O-CA 3.47Å |
| 17 | T | 98.8 | Very high | 98.5 | Very high | 43 Ų | 43 | 43.7 Ų | 43.7 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 174.1 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | W6 K13 D14 I15 Y19 L20 L21 | W6-T17 HydrophobicContact CH2-CG2 4.47Å; W6-T17 HydrophobicContact CZ3-CG2 4.41Å; K13-T17 WeakPolarHBondContact O-CB 3.49Å; K13-T17 PolarHBondContact O-N 3.49Å; K13-T17 PolarHBondContact O-OG1 2.93Å; D14-T17 WeakPolarHBondContact O-CB 3.46Å; D14-T17 PolarHBondContact O-N 2.91Å; I15-T17 VanDerWaalsContact C-N 3.25Å; I15-T17 PolarHBondContact O-N 3.34Å; T17-Y19 VanDerWaalsContact C-N 3.34Å; T17-Y19 PolarHBondContact O-N 3.38Å; T17-L20 PolarHBondContact O-N 3.37Å; T17-L21 HydrophobicContact CG2-CD1 4.15Å; T17-L21 HydrophobicContact CG2-CG 4.4Å; T17-L21 WeakPolarHBondContact O-CG 3.34Å; T17-L21 PolarHBondContact O-N 2.93Å |
| 18 | L | 98.8 | Very high | 98.6 | Very high | 24 Ų | 24 | 45.3 Ų | 45.3 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.2 | -43.4 | 175.4 | -69.4 | 173.4 | 0 | 0 | 0 | 112 | W6 D14 I15 L20 L21 F22 F102 | W6-L18 HydrophobicContact CE3-CD1 4.4Å; W6-L18 HydrophobicContact CE3-CD2 3.91Å; W6-L18 HydrophobicContact CE3-CG 4.03Å; W6-L18 HydrophobicContact CZ3-CD2 4.46Å; W6-L18 HydrophobicContact CZ3-CG 4.42Å; W6-L18 WeakPolarHBondContact O-CD1 3.48Å; D14-L18 WeakPolarHBondContact O-CG 3.44Å; D14-L18 PolarHBondContact O-N 3.06Å; I15-L18 WeakPolarHBondContact O-CB 3.41Å; I15-L18 PolarHBondContact O-N 2.92Å; I15-L18 VanDerWaalsContact O-N 3.12Å; L18-L20 PolarHBondContact O-N 3.28Å; L18-L21 PolarHBondContact O-N 3.31Å; L18-F22 VanDerWaalsContact O-CB 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.39Å; L18-F22 PolarHBondContact O-N 3.05Å; L18-F102 VanDerWaalsContact C-CE2 3.47Å; L18-F102 HydrophobicContact CB-CD1 4.12Å; L18-F102 HydrophobicContact CB-CD2 4.03Å; L18-F102 HydrophobicContact CB-CE1 3.79Å; L18-F102 HydrophobicContact CB-CE2 3.68Å; L18-F102 HydrophobicContact CB-CG 4.25Å; L18-F102 HydrophobicContact CB-CZ 3.57Å; L18-F102 HydrophobicContact CD1-CD1 3.98Å; L18-F102 HydrophobicContact CD1-CE1 3.85Å; L18-F102 HydrophobicContact CD1-CZ 4.46Å; L18-F102 HydrophobicContact CG-CE1 4.27Å; L18-F102 HydrophobicContact CG-CZ 4.4Å; L18-F102 WeakPolarHBondContact O-CE2 3.18Å |
| 19 | Y | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 4% | 0.039 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 173.7 | -87.9 | -73 | 0 | 0 | 0 | 112.9 | I15 G16 T17 G23 P72 G76 S101 F102 L105 | I15-Y19 HydrophobicContact CG2-CD2 3.87Å; I15-Y19 HydrophobicContact CG2-CE2 3.74Å; I15-Y19 WeakPolarHBondContact O-CD2 3.46Å; I15-Y19 PolarHBondContact O-N 3.31Å; G16-Y19 PolarHBondContact O-N 3.2Å; T17-Y19 VanDerWaalsContact C-N 3.34Å; T17-Y19 PolarHBondContact O-N 3.38Å; Y19-G23 PolarHBondContact O-N 3.46Å; Y19-P72 HydrophobicContact CD1-CB 4.03Å; Y19-G76 VanDerWaalsContact CB-C 3.43Å; Y19-G76 VanDerWaalsContact CD2-O 3.32Å; Y19-G76 WeakPolarHBondContact CD2-O 3.39Å; Y19-G76 VanDerWaalsContact CG-C 3.42Å; Y19-G76 VanDerWaalsContact CG-CA 3.48Å; Y19-S101 WeakPolarHBondContact OH-CB 3.32Å; Y19-S101 PolarHBondContact OH-OG 2.9Å; Y19-F102 AromaticContact CD1-CD2 3.96Å; Y19-F102 HydrophobicContact CD1-CD2 3.96Å; Y19-F102 HydrophobicContact CD2-CB 4.22Å; Y19-F102 HydrophobicContact CD2-CD2 4.05Å; Y19-F102 HydrophobicContact CE1-CB 4.44Å; Y19-F102 HydrophobicContact CE1-CD2 4.17Å; Y19-F102 HydrophobicContact CE2-CB 3.66Å; Y19-F102 HydrophobicContact CE2-CD2 4.24Å; Y19-F102 HydrophobicContact CE2-CG 4.41Å; Y19-F102 AromaticContact CG-CD2 3.91Å; Y19-F102 HydrophobicContact CG-CD2 3.91Å; Y19-F102 WeakPolarHBondContact OH-CA 3.27Å; Y19-F102 PolarHBondContact OH-N 3.13Å; Y19-F102 VanDerWaalsContact OH-N 3.12Å; Y19-L105 HydrophobicContact CD1-CD1 3.88Å; Y19-L105 HydrophobicContact CE1-CD1 3.42Å; Y19-L105 VanDerWaalsContact CE1-CD1 3.42Å |
| 20 | L | 98.8 | Very high | 98.7 | Very high | 48 Ų | 48 | 40.3 Ų | 40.3 | 25% | 0.251 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.9 | -43.7 | 178.3 | -70 | 172 | 0 | 0 | 0 | 112 | G16 T17 L18 A24 I73 F78 | G16-L20 WeakPolarHBondContact O-CG 3.41Å; G16-L20 PolarHBondContact O-N 3.25Å; G16-L20 VanDerWaalsContact O-N 3.1Å; T17-L20 PolarHBondContact O-N 3.37Å; L18-L20 PolarHBondContact O-N 3.28Å; L20-A24 VanDerWaalsContact O-CB 3.25Å; L20-A24 WeakPolarHBondContact O-CB 3.43Å; L20-A24 PolarHBondContact O-N 2.64Å; L20-I73 HydrophobicContact CD2-CG2 4.07Å; L20-F78 HydrophobicContact CD2-CE2 4.43Å |
| 21 | L | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 40.6 Ų | 40.6 | 59% | 0.586 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.7 | -45.5 | 177.9 | -69.4 | 175.2 | 0 | 0 | 0 | 111.5 | T17 L18 A24 W25 | T17-L21 HydrophobicContact CG2-CD1 4.15Å; T17-L21 HydrophobicContact CG2-CG 4.4Å; T17-L21 WeakPolarHBondContact O-CG 3.34Å; T17-L21 PolarHBondContact O-N 2.93Å; L18-L21 PolarHBondContact O-N 3.31Å; L21-A24 PolarHBondContact O-N 3.14Å; L21-W25 WeakPolarHBondContact O-CB 3.26Å; L21-W25 PolarHBondContact O-N 2.91Å |
| 22 | F | 98.8 | Very high | 98.7 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.4 | -50.1 | 176.1 | 175.7 | -95 | 0 | 0 | 0 | 111.5 | L18 A24 W25 A26 F68 P72 F102 L105 P106 L109 | L18-F22 VanDerWaalsContact O-CB 3.27Å; L18-F22 WeakPolarHBondContact O-CB 3.39Å; L18-F22 PolarHBondContact O-N 3.05Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.27Å; F22-W25 PolarHBondContact O-N 3.34Å; F22-A26 WeakPolarHBondContact O-CB 3.26Å; F22-A26 PolarHBondContact O-N 3.42Å; F22-F68 HydrophobicContact CE1-CB 4.16Å; F22-F68 AromaticContact CE1-CD1 3.97Å; F22-F68 HydrophobicContact CE1-CD1 3.97Å; F22-F68 HydrophobicContact CZ-CB 4.45Å; F22-F68 AromaticContact CZ-CD1 3.8Å; F22-F68 HydrophobicContact CZ-CD1 3.8Å; F22-P72 HydrophobicContact CD1-CB 4.14Å; F22-P72 HydrophobicContact CD1-CG 4.31Å; F22-P72 HydrophobicContact CE1-CG 4.23Å; F22-F102 HydrophobicContact CB-CE2 3.88Å; F22-F102 HydrophobicContact CB-CZ 4.41Å; F22-F102 HydrophobicContact CG-CE2 4.34Å; F22-L105 HydrophobicContact CD1-CB 4.46Å; F22-L105 HydrophobicContact CD1-CD1 4.27Å; F22-L105 HydrophobicContact CE1-CB 3.85Å; F22-L105 HydrophobicContact CE1-CD1 4.09Å; F22-L105 HydrophobicContact CE2-CB 4.48Å; F22-L105 HydrophobicContact CZ-CB 3.85Å; F22-P106 HydrophobicContact CD2-CG 4.38Å; F22-P106 HydrophobicContact CE2-CB 4.49Å; F22-P106 HydrophobicContact CE2-CG 4.25Å; F22-L109 HydrophobicContact CE2-CB 4.36Å; F22-L109 HydrophobicContact CE2-CD2 3.76Å; F22-L109 HydrophobicContact CZ-CB 4Å; F22-L109 HydrophobicContact CZ-CD2 3.66Å; F22-L109 HydrophobicContact CZ-CG 4.48Å |
| 23 | G | 98.7 | Very high | 98.7 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.9 | -36.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y19 G27 F68 | Y19-G23 PolarHBondContact O-N 3.46Å; G23-G27 PolarHBondContact O-N 2.75Å; G23-F68 WeakPolarHBondContact CA-O 3.47Å |
| 24 | A | 98.7 | Very high | 98.7 | Very high | 55 Ų | 55 | 39.3 Ų | 39.3 | 46% | 0.455 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.7 | -44.3 | 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 3.43Å; L20-A24 PolarHBondContact O-N 2.64Å; L21-A24 PolarHBondContact O-N 3.14Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.27Å; A24-G27 PolarHBondContact O-N 3.44Å; A24-V28 PolarHBondContact O-N 3.08Å; A24-V28 VanDerWaalsContact O-N 3.08Å |
| 25 | W | 98.7 | Very high | 98.7 | Very high | 151 Ų | 151 | 43.9 Ų | 43.9 | 57% | 0.572 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.8 | -47.6 | 176.5 | -175.2 | 91.3 | 0 | 0 | 0 | 111.8 | L21 F22 G27 V28 L29 L109 | L21-W25 WeakPolarHBondContact O-CB 3.26Å; L21-W25 PolarHBondContact O-N 2.91Å; F22-W25 PolarHBondContact O-N 3.34Å; W25-G27 VanDerWaalsContact C-N 3.27Å; W25-G27 PolarHBondContact O-N 3.19Å; W25-V28 PolarHBondContact O-N 3.23Å; W25-L29 HydrophobicContact CH2-CD2 4.06Å; W25-L29 HydrophobicContact CZ3-CD2 3.86Å; W25-L29 PolarHBondContact O-N 3.03Å; W25-L29 VanDerWaalsContact O-N 3.13Å; W25-L109 HydrophobicContact CE3-CD2 4.17Å; W25-L109 HydrophobicContact CZ3-CD2 3.7Å |
| 26 | A | 98.7 | Very high | 98.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.6 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F22 L29 G30 V64 F68 L109 | F22-A26 WeakPolarHBondContact O-CB 3.26Å; F22-A26 PolarHBondContact O-N 3.42Å; A26-L29 WeakPolarHBondContact O-CB 3.25Å; A26-L29 PolarHBondContact O-N 3.28Å; A26-G30 PolarHBondContact O-N 2.91Å; A26-V64 HydrophobicContact CB-CG1 4.33Å; A26-V64 WeakPolarHBondContact O-CG1 3.5Å; A26-F68 HydrophobicContact CB-CB 3.9Å; A26-F68 VanDerWaalsContact CB-O 3.29Å; A26-F68 WeakPolarHBondContact CB-O 3.26Å; A26-L109 HydrophobicContact CB-CD2 4.36Å |
| 27 | G | 98.6 | Very high | 98.6 | Very high | 8 Ų | 8 | 48.6 Ų | 48.6 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G23 A24 W25 G30 T31 | G23-G27 PolarHBondContact O-N 2.75Å; A24-G27 PolarHBondContact O-N 3.44Å; W25-G27 VanDerWaalsContact C-N 3.27Å; W25-G27 PolarHBondContact O-N 3.19Å; G27-G30 PolarHBondContact O-N 3.44Å; G27-T31 WeakPolarHBondContact O-CB 3.46Å; G27-T31 PolarHBondContact O-N 3.48Å; G27-T31 PolarHBondContact O-OG1 3.41Å |
| 28 | V | 98.7 | Very high | 98.6 | Very high | 105 Ų | 105 | 54.7 Ų | 54.7 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | A24 W25 T31 A32 | A24-V28 PolarHBondContact O-N 3.08Å; A24-V28 VanDerWaalsContact O-N 3.08Å; W25-V28 PolarHBondContact O-N 3.23Å; V28-T31 PolarHBondContact O-N 3.48Å; V28-A32 PolarHBondContact O-N 3.43Å |
| 29 | L | 98.6 | Very high | 98.5 | Very high | 43 Ų | 43 | 56 Ų | 56 | 23% | 0.225 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -49 | 175.5 | 176 | 60.8 | 0 | 0 | 0 | 111.9 | W25 A26 T31 A32 L33 L113 | W25-L29 HydrophobicContact CH2-CD2 4.06Å; W25-L29 HydrophobicContact CZ3-CD2 3.86Å; W25-L29 PolarHBondContact O-N 3.03Å; W25-L29 VanDerWaalsContact O-N 3.13Å; A26-L29 WeakPolarHBondContact O-CB 3.25Å; A26-L29 PolarHBondContact O-N 3.28Å; L29-T31 VanDerWaalsContact C-N 3.29Å; L29-T31 PolarHBondContact O-N 3.24Å; L29-A32 WeakPolarHBondContact O-CB 2.87Å; L29-A32 PolarHBondContact O-N 2.99Å; L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.85Å; L29-L113 HydrophobicContact CD2-CD1 3.92Å; L29-L113 HydrophobicContact CD2-CD2 3.78Å; L29-L113 HydrophobicContact CD2-CG 4.45Å |
| 30 | G | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.3 | -37.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A26 G27 L33 S34 H61 | A26-G30 PolarHBondContact O-N 2.91Å; G27-G30 PolarHBondContact O-N 3.44Å; G30-L33 PolarHBondContact O-N 3.48Å; G30-S34 PolarHBondContact O-N 3.41Å; G30-H61 PolarHBondContact O-CE1 2.84Å; G30-H61 PolarHBondContact O-ND1 3.28Å |
| 31 | T | 98.6 | Very high | 98.4 | Very high | 72 Ų | 72 | 58.9 Ų | 58.9 | 44% | 0.442 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | G27 V28 L29 L33 S34 L35 | G27-T31 WeakPolarHBondContact O-CB 3.46Å; G27-T31 PolarHBondContact O-N 3.48Å; G27-T31 PolarHBondContact O-OG1 3.41Å; V28-T31 PolarHBondContact O-N 3.48Å; L29-T31 VanDerWaalsContact C-N 3.29Å; L29-T31 PolarHBondContact O-N 3.24Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 3.1Å; T31-S34 WeakPolarHBondContact O-CA 3.36Å; T31-S34 VanDerWaalsContact O-CB 3.3Å; T31-S34 WeakPolarHBondContact O-CB 3.37Å; T31-S34 PolarHBondContact O-N 2.83Å; T31-S34 VanDerWaalsContact O-N 3.11Å; T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.31Å |
| 32 | A | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 56.6 Ų | 56.6 | 41% | 0.405 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | V28 L29 S34 L35 L36 | V28-A32 PolarHBondContact O-N 3.43Å; L29-A32 WeakPolarHBondContact O-CB 2.87Å; L29-A32 PolarHBondContact O-N 2.99Å; A32-S34 VanDerWaalsContact C-N 3.33Å; A32-S34 PolarHBondContact O-N 3.26Å; A32-L35 PolarHBondContact O-N 3.32Å; A32-L36 PolarHBondContact O-N 3.12Å; A32-L36 VanDerWaalsContact O-N 3.15Å |
| 33 | L | 98.6 | Very high | 98.2 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.141 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 173.4 | -62.8 | 171.6 | 0 | 0 | 0 | 111.7 | L29 G30 T31 L35 L36 I37 I57 A60 H61 V64 | L29-L33 WeakPolarHBondContact O-CG 3.38Å; L29-L33 PolarHBondContact O-N 2.85Å; G30-L33 PolarHBondContact O-N 3.48Å; T31-L33 VanDerWaalsContact C-N 3.33Å; T31-L33 PolarHBondContact O-N 3.1Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.97Å; L33-L36 WeakPolarHBondContact O-CB 3.21Å; L33-L36 PolarHBondContact O-N 2.97Å; L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 3.32Å; L33-I37 VanDerWaalsContact O-N 3.08Å; L33-I57 HydrophobicContact CB-CG2 4.08Å; L33-I57 HydrophobicContact CD2-CG2 4.05Å; L33-A60 HydrophobicContact CD1-CB 3.96Å; L33-H61 HydrophobicContact CB-CB 3.86Å; L33-H61 HydrophobicContact CD1-CB 4.38Å; L33-V64 HydrophobicContact CD1-CG2 4.41Å |
| 34 | S | 98.6 | Very high | 98 | Very high | 34 Ų | 34 | 69.4 Ų | 69.4 | 24% | 0.238 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -61.1 | -40.9 | 175.4 | -160.2 | 0 | 0 | 0 | 0 | 112.7 | G30 T31 A32 L36 I37 R38 H61 | G30-S34 PolarHBondContact O-N 3.41Å; T31-S34 WeakPolarHBondContact O-CA 3.36Å; T31-S34 VanDerWaalsContact O-CB 3.3Å; T31-S34 WeakPolarHBondContact O-CB 3.37Å; T31-S34 PolarHBondContact O-N 2.83Å; T31-S34 VanDerWaalsContact O-N 3.11Å; A32-S34 VanDerWaalsContact C-N 3.33Å; A32-S34 PolarHBondContact O-N 3.26Å; S34-L36 VanDerWaalsContact C-N 3.32Å; S34-L36 PolarHBondContact O-N 3.45Å; S34-I37 WeakPolarHBondContact O-CB 3.41Å; S34-I37 PolarHBondContact O-N 3.47Å; S34-R38 WeakPolarHBondContact O-CG 3.44Å; S34-R38 PolarHBondContact O-N 3.14Å; S34-H61 VanDerWaalsContact CB-CE1 3.48Å; S34-H61 WeakPolarHBondContact CB-CE1 3.37Å |
| 35 | L | 98.4 | Very high | 97.7 | Very high | 116 Ų | 116 | 70 Ų | 70 | 61% | 0.607 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -64.1 | -37.6 | 177 | -69.4 | 174.4 | 0 | 0 | 0 | 111.6 | T31 A32 L33 R38 A39 | T31-L35 WeakPolarHBondContact O-CG 3.48Å; T31-L35 PolarHBondContact O-N 3.31Å; A32-L35 PolarHBondContact O-N 3.32Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 2.97Å; L35-R38 PolarHBondContact O-N 2.82Å; L35-A39 VanDerWaalsContact O-CB 3.28Å; L35-A39 WeakPolarHBondContact O-CB 3.32Å; L35-A39 PolarHBondContact O-N 3.12Å |
| 36 | L | 98.1 | Very high | 97.3 | Very high | 82 Ų | 82 | 67.1 Ų | 67.1 | 43% | 0.429 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 173.6 | -65.6 | 174.7 | 0 | 0 | 0 | 111.8 | A32 L33 S34 R38 A39 E40 I57 | A32-L36 PolarHBondContact O-N 3.12Å; A32-L36 VanDerWaalsContact O-N 3.15Å; L33-L36 WeakPolarHBondContact O-CB 3.21Å; L33-L36 PolarHBondContact O-N 2.97Å; S34-L36 VanDerWaalsContact C-N 3.32Å; S34-L36 PolarHBondContact O-N 3.45Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 2.96Å; L36-A39 PolarHBondContact O-N 2.98Å; L36-E40 PolarHBondContact O-N 2.72Å; L36-I57 HydrophobicContact CB-CD1 4.49Å; L36-I57 HydrophobicContact CB-CG2 4.32Å; L36-I57 HydrophobicContact CD1-CD1 4.27Å |
| 37 | I | 98.4 | Very high | 97 | Very high | 16 Ų | 16 | 72.9 Ų | 72.9 | 8% | 0.082 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.9 | -46.5 | 175.5 | -64.5 | 163.4 | 0 | 0 | 0 | 110.2 | L33 S34 E40 L41 Y54 I57 V58 H61 | L33-I37 WeakPolarHBondContact O-CG1 3.48Å; L33-I37 PolarHBondContact O-N 3.32Å; L33-I37 VanDerWaalsContact O-N 3.08Å; S34-I37 WeakPolarHBondContact O-CB 3.41Å; S34-I37 PolarHBondContact O-N 3.47Å; I37-E40 PolarHBondContact O-N 2.89Å; I37-L41 HydrophobicContact CG2-CD1 4.12Å; I37-L41 WeakPolarHBondContact O-CG 3.43Å; I37-L41 PolarHBondContact O-N 3.33Å; I37-L41 VanDerWaalsContact O-N 3.09Å; I37-Y54 HydrophobicContact CB-CE2 4.4Å; I37-Y54 HydrophobicContact CG2-CE2 3.86Å; I37-I57 HydrophobicContact CD1-CG2 4.12Å; I37-I57 HydrophobicContact CG1-CG2 3.7Å; I37-V58 HydrophobicContact CD1-CB 4.34Å; I37-V58 HydrophobicContact CD1-CG2 3.81Å; I37-V58 HydrophobicContact CG1-CG2 3.88Å; I37-V58 HydrophobicContact CG2-CG2 4.32Å; I37-H61 HydrophobicContact CD1-CB 3.85Å |
| 38 | R | 98.2 | Very high | 96.8 | Very high | 172 Ų | 172 | 75.2 Ų | 75.2 | 65% | 0.649 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -71.9 | -30.3 | -179.2 | -66.1 | -60.4 | -177.2 | -176 | -1.4 | 113.3 | S34 L35 L36 L41 G42 | S34-R38 WeakPolarHBondContact O-CG 3.44Å; S34-R38 PolarHBondContact O-N 3.14Å; L35-R38 PolarHBondContact O-N 2.82Å; L36-R38 VanDerWaalsContact C-N 3.32Å; L36-R38 PolarHBondContact O-N 2.96Å; R38-L41 CarbonylContact O-C 3.3Å; R38-L41 PolarHBondContact O-N 3.39Å; R38-G42 PolarHBondContact O-N 3.2Å; R38-G42 VanDerWaalsContact O-N 3.1Å |
| 39 | A | 97.4 | Very high | 96.6 | Very high | 52 Ų | 52 | 72.9 Ų | 72.9 | 43% | 0.43 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L35 L36 L41 G42 L47 | L35-A39 VanDerWaalsContact O-CB 3.28Å; L35-A39 WeakPolarHBondContact O-CB 3.32Å; L35-A39 PolarHBondContact O-N 3.12Å; L36-A39 PolarHBondContact O-N 2.98Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.47Å; A39-G42 PolarHBondContact O-N 3.44Å; A39-L47 HydrophobicContact CB-CD2 3.78Å |
| 40 | E | 97.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 74.1 Ų | 74.1 | 10% | 0.103 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -58.5 | -44.6 | 173.6 | -175.7 | 60.3 | -140.1 | 0 | 0 | 111.4 | L36 I37 G42 N46 L47 L48 Y54 | L36-E40 PolarHBondContact O-N 2.72Å; I37-E40 PolarHBondContact O-N 2.89Å; E40-G42 VanDerWaalsContact C-N 3.26Å; E40-G42 PolarHBondContact O-N 3.12Å; E40-N46 WeakPolarHBondContact OE1-CA 3.38Å; E40-L47 PolarHBondContact OE1-N 2.83Å; E40-L47 WeakPolarHBondContact OE2-CA 3.41Å; E40-L47 VanDerWaalsContact OE2-CB 3.26Å; E40-L47 WeakPolarHBondContact OE2-CB 3.46Å; E40-L47 PolarHBondContact OE2-N 3.46Å; E40-L48 HydrophobicContact CB-CD1 4.09Å; E40-L48 HydrophobicContact CB-CG 4.46Å; E40-L48 HydrophobicContact CG-CD1 4.15Å; E40-L48 VanDerWaalsContact OE2-CB 3.24Å; E40-L48 WeakPolarHBondContact OE2-CB 3.05Å; E40-L48 WeakPolarHBondContact OE2-CG 3.49Å; E40-L48 PolarHBondContact OE2-N 3.04Å; E40-Y54 HydrophobicContact CB-CD2 4.07Å; E40-Y54 HydrophobicContact CB-CE2 4.27Å; E40-Y54 HydrophobicContact CG-CD2 3.82Å; E40-Y54 HydrophobicContact CG-CE2 4.22Å |
| 41 | L | 97.5 | Very high | 96.3 | Very high | 96 Ų | 96 | 79.7 Ų | 79.7 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | 6.1 | -178.7 | -62.7 | 178.4 | 0 | 0 | 0 | 114.5 | I37 R38 A39 Q43 Y54 | I37-L41 HydrophobicContact CG2-CD1 4.12Å; I37-L41 WeakPolarHBondContact O-CG 3.43Å; I37-L41 PolarHBondContact O-N 3.33Å; I37-L41 VanDerWaalsContact O-N 3.09Å; R38-L41 CarbonylContact O-C 3.3Å; R38-L41 PolarHBondContact O-N 3.39Å; A39-L41 VanDerWaalsContact C-N 3.32Å; A39-L41 PolarHBondContact O-N 3.47Å; L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 2.84Å; L41-Y54 WeakPolarHBondContact CD1-OH 3.32Å; L41-Y54 HydrophobicContact CD2-CE2 4.4Å; L41-Y54 HydrophobicContact CG-CE2 4.23Å |
| 42 | G | 97.3 | Very high | 96.3 | Very high | 64 Ų | 64 | 78.7 Ų | 78.7 | 66% | 0.66 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -27.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R38 A39 E40 | R38-G42 PolarHBondContact O-N 3.2Å; R38-G42 VanDerWaalsContact O-N 3.1Å; A39-G42 PolarHBondContact O-N 3.44Å; E40-G42 VanDerWaalsContact C-N 3.26Å; E40-G42 PolarHBondContact O-N 3.12Å |
| 43 | Q | 95.2 | Very high | 96.2 | Very high | 158 Ų | 158 | 80.1 Ų | 80.1 | 74% | 0.738 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -156.2 | 157.2 | 175 | 62.5 | -176 | -2.2 | 0 | 0 | 109.9 | L41 G45 | L41-Q43 VanDerWaalsContact C-N 3.3Å; L41-Q43 PolarHBondContact O-N 2.84Å; Q43-G45 PolarHBondContact O-N 2.74Å |
| 44 | P | 95 | Very high | 96.2 | Very high | 136 Ų | 136 | 81.6 Ų | 81.6 | 88% | 0.883 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -57.8 | 133.3 | 170.2 | -22.2 | 33.6 | 0 | 0 | 0 | 111.2 | ||
| 45 | G | 91.9 | Very high | 96.1 | Very high | 67 Ų | 67 | 83.2 Ų | 83.2 | 69% | 0.691 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 147.2 | -168.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q43 | Q43-G45 PolarHBondContact O-N 2.74Š|
| 46 | N | 90.4 | Very high | 96.1 | Very high | 91 Ų | 91 | 78.3 Ų | 78.3 | 49% | 0.487 | 45% | 0.451 | S | S | . | . | trans | -131.1 | 102.2 | 176.3 | -166.1 | -6.6 | 0 | 0 | 0 | 109 | E40 G49 | E40-N46 WeakPolarHBondContact OE1-CA 3.38Å; N46-G49 VanDerWaalsContact CG-CA 3.48Å; N46-G49 WeakPolarHBondContact ND2-CA 3.27Å; N46-G49 WeakPolarHBondContact OD1-CA 2.99Å; N46-G49 PolarHBondContact OD1-N 3.35Å | ||
| 47 | L | 94.1 | Very high | 96.2 | Very high | 121 Ų | 121 | 75.3 Ų | 75.3 | 63% | 0.634 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -85.6 | -43.1 | -179.6 | 172.1 | 72.6 | 0 | 0 | 0 | 111 | A39 E40 | A39-L47 HydrophobicContact CB-CD2 3.78Å; E40-L47 PolarHBondContact OE1-N 2.83Å; E40-L47 WeakPolarHBondContact OE2-CA 3.41Å; E40-L47 VanDerWaalsContact OE2-CB 3.26Å; E40-L47 WeakPolarHBondContact OE2-CB 3.46Å; E40-L47 PolarHBondContact OE2-N 3.46Å |
| 48 | L | 94.2 | Very high | 96.2 | Very high | 56 Ų | 56 | 76.7 Ų | 76.7 | 29% | 0.293 | 44% | 0.444 | S | S | . | . | S | Bend | trans | -77.9 | -22.6 | 180 | -72.5 | 171 | 0 | 0 | 0 | 112.7 | E40 N50 Y54 I57 | E40-L48 HydrophobicContact CB-CD1 4.09Å; E40-L48 HydrophobicContact CB-CG 4.46Å; E40-L48 HydrophobicContact CG-CD1 4.15Å; E40-L48 VanDerWaalsContact OE2-CB 3.24Å; E40-L48 WeakPolarHBondContact OE2-CB 3.05Å; E40-L48 WeakPolarHBondContact OE2-CG 3.49Å; E40-L48 PolarHBondContact OE2-N 3.04Å; L48-N50 PolarHBondContact O-N 3.01Å; L48-Y54 HydrophobicContact CD1-CD2 4.27Å; L48-I57 HydrophobicContact CD1-CD1 4.08Å; L48-I57 HydrophobicContact CD2-CD1 4.38Å |
| 49 | G | 94.7 | Very high | 96.2 | Very high | 56 Ų | 56 | 68.7 Ų | 68.7 | 58% | 0.577 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 77.5 | -0.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N46 | N46-G49 VanDerWaalsContact CG-CA 3.48Å; N46-G49 WeakPolarHBondContact ND2-CA 3.27Å; N46-G49 WeakPolarHBondContact OD1-CA 2.99Å; N46-G49 PolarHBondContact OD1-N 3.35Å |
| 50 | N | 95.4 | Very high | 96.3 | Very high | 69 Ų | 69 | 66.7 Ų | 66.7 | 37% | 0.369 | 40% | 0.398 | S | S | . | . | trans | -155.3 | 112.7 | -174.8 | -174.3 | -30.8 | 0 | 0 | 0 | 112.6 | L48 H52 I53 Y54 | L48-N50 PolarHBondContact O-N 3.01Å; N50-H52 VanDerWaalsContact C-N 3.29Å; N50-H52 PolarHBondContact O-N 3.23Å; N50-H52 WeakPolarHBondContact OD1-CA 3.2Å; N50-H52 VanDerWaalsContact OD1-CB 3.3Å; N50-H52 WeakPolarHBondContact OD1-CB 3.44Å; N50-H52 PolarHBondContact OD1-N 3.48Å; N50-I53 HydrophobicContact CB-CB 4.17Å; N50-I53 HydrophobicContact CB-CD1 3.88Å; N50-I53 HydrophobicContact CB-CG1 3.98Å; N50-I53 PolarHBondContact O-N 3.43Å; N50-I53 PolarHBondContact OD1-N 3.39Å; N50-Y54 PolarHBondContact O-N 3.49Å | ||
| 51 | D | 95.3 | Very high | 96.3 | Very high | 117 Ų | 117 | 67.7 Ų | 67.7 | 63% | 0.626 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.3 | -30.5 | -178.7 | -58.1 | -6.2 | 0 | 0 | 0 | 113.1 | Y54 N55 | D51-Y54 WeakPolarHBondContact O-CB 3.37Å; D51-Y54 PolarHBondContact O-N 2.94Å; D51-N55 PolarHBondContact O-N 2.99Å; D51-N55 VanDerWaalsContact O-N 3.12Å; D51-N55 PolarHBondContact O-ND2 3.22Å |
| 52 | H | 96.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 64 Ų | 64 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 177 | -174.9 | 64.9 | 0 | 0 | 0 | 111.4 | N50 Y54 N55 V56 A120 G121 H138 | N50-H52 VanDerWaalsContact C-N 3.29Å; N50-H52 PolarHBondContact O-N 3.23Å; N50-H52 WeakPolarHBondContact OD1-CA 3.2Å; N50-H52 VanDerWaalsContact OD1-CB 3.3Å; N50-H52 WeakPolarHBondContact OD1-CB 3.44Å; N50-H52 PolarHBondContact OD1-N 3.48Å; H52-Y54 PolarHBondContact O-N 3.42Å; H52-N55 WeakPolarHBondContact O-CB 3.32Å; H52-N55 PolarHBondContact O-N 3.16Å; H52-V56 WeakPolarHBondContact O-CG2 3.32Å; H52-V56 PolarHBondContact O-N 3.27Å; H52-A120 PolarHBondContact CD2-O 2.83Å; H52-A120 PolarHBondContact NE2-O 3.24Å; H52-G121 PolarHBondContact NE2-O 2.72Å; H52-H138 AromaticContact CE1-NE2 3.46Å; H52-H138 PolarHBondContact CE1-NE2 3.38Å |
| 53 | I | 97.3 | Very high | 96.4 | Very high | 79 Ų | 79 | 61 Ų | 61 | 41% | 0.405 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.3 | -67.9 | 179.3 | 0 | 0 | 0 | 110.2 | N50 N55 V56 I57 | N50-I53 HydrophobicContact CB-CB 4.17Å; N50-I53 HydrophobicContact CB-CD1 3.88Å; N50-I53 HydrophobicContact CB-CG1 3.98Å; N50-I53 PolarHBondContact O-N 3.43Å; N50-I53 PolarHBondContact OD1-N 3.39Å; I53-N55 VanDerWaalsContact C-N 3.34Å; I53-N55 PolarHBondContact O-N 3.2Å; I53-V56 PolarHBondContact O-N 3.28Å; I53-I57 HydrophobicContact CG2-CD1 3.83Å; I53-I57 HydrophobicContact CG2-CG1 4.35Å; I53-I57 VanDerWaalsContact O-CG1 3.29Å; I53-I57 WeakPolarHBondContact O-CG1 3.26Å; I53-I57 PolarHBondContact O-N 3.4Å |
| 54 | Y | 97.7 | Very high | 96.6 | Very high | 57 Ų | 57 | 53.5 Ų | 53.5 | 22% | 0.224 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.7 | -47.2 | 173.2 | 172.8 | -91.7 | 0 | 0 | 0 | 111.7 | I37 E40 L41 L48 N50 D51 H52 V56 I57 V58 | I37-Y54 HydrophobicContact CB-CE2 4.4Å; I37-Y54 HydrophobicContact CG2-CE2 3.86Å; E40-Y54 HydrophobicContact CB-CD2 4.07Å; E40-Y54 HydrophobicContact CB-CE2 4.27Å; E40-Y54 HydrophobicContact CG-CD2 3.82Å; E40-Y54 HydrophobicContact CG-CE2 4.22Å; L41-Y54 WeakPolarHBondContact CD1-OH 3.32Å; L41-Y54 HydrophobicContact CD2-CE2 4.4Å; L41-Y54 HydrophobicContact CG-CE2 4.23Å; L48-Y54 HydrophobicContact CD1-CD2 4.27Å; N50-Y54 PolarHBondContact O-N 3.49Å; D51-Y54 WeakPolarHBondContact O-CB 3.37Å; D51-Y54 PolarHBondContact O-N 2.94Å; H52-Y54 PolarHBondContact O-N 3.42Å; Y54-V56 VanDerWaalsContact C-N 3.34Å; Y54-V56 PolarHBondContact O-N 3.13Å; Y54-I57 PolarHBondContact O-N 3.24Å; Y54-V58 HydrophobicContact CD1-CG2 4.1Å; Y54-V58 HydrophobicContact CE1-CG2 3.65Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 HydrophobicContact CG-CG2 4.5Å; Y54-V58 VanDerWaalsContact O-CG2 3.31Å; Y54-V58 WeakPolarHBondContact O-CG2 3.28Å; Y54-V58 PolarHBondContact O-N 3.14Å |
| 55 | N | 98.3 | Very high | 96.8 | Very high | 68 Ų | 68 | 49.2 Ų | 49.2 | 36% | 0.364 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 177.8 | -67.8 | -34.2 | 0 | 0 | 0 | 113 | D51 H52 I53 V58 T59 | D51-N55 PolarHBondContact O-N 2.99Å; D51-N55 VanDerWaalsContact O-N 3.12Å; D51-N55 PolarHBondContact O-ND2 3.22Å; H52-N55 WeakPolarHBondContact O-CB 3.32Å; H52-N55 PolarHBondContact O-N 3.16Å; I53-N55 VanDerWaalsContact C-N 3.34Å; I53-N55 PolarHBondContact O-N 3.2Å; N55-V58 PolarHBondContact O-N 2.81Å; N55-T59 VanDerWaalsContact O-CB 3.31Å; N55-T59 WeakPolarHBondContact O-CB 3.36Å; N55-T59 PolarHBondContact O-N 3.25Å; N55-T59 PolarHBondContact O-OG1 3.4Å |
| 56 | V | 98.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 8% | 0.079 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174.5 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | H52 I53 Y54 T59 A60 A116 A120 | H52-V56 WeakPolarHBondContact O-CG2 3.32Å; H52-V56 PolarHBondContact O-N 3.27Å; I53-V56 PolarHBondContact O-N 3.28Å; Y54-V56 VanDerWaalsContact C-N 3.34Å; Y54-V56 PolarHBondContact O-N 3.13Å; V56-T59 PolarHBondContact O-N 2.97Å; V56-A60 WeakPolarHBondContact O-CB 3.48Å; V56-A60 PolarHBondContact O-N 2.88Å; V56-A116 HydrophobicContact CG1-CB 3.83Å; V56-A120 WeakPolarHBondContact CG2-O 2.97Å |
| 57 | I | 98.5 | Very high | 97.4 | Very high | 20 Ų | 20 | 43.4 Ų | 43.4 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.1 | -66.3 | 168.7 | 0 | 0 | 0 | 110.7 | L33 L36 I37 L48 I53 Y54 T59 A60 H61 | L33-I57 HydrophobicContact CB-CG2 4.08Å; L33-I57 HydrophobicContact CD2-CG2 4.05Å; L36-I57 HydrophobicContact CB-CD1 4.49Å; L36-I57 HydrophobicContact CB-CG2 4.32Å; L36-I57 HydrophobicContact CD1-CD1 4.27Å; I37-I57 HydrophobicContact CD1-CG2 4.12Å; I37-I57 HydrophobicContact CG1-CG2 3.7Å; L48-I57 HydrophobicContact CD1-CD1 4.08Å; L48-I57 HydrophobicContact CD2-CD1 4.38Å; I53-I57 HydrophobicContact CG2-CD1 3.83Å; I53-I57 HydrophobicContact CG2-CG1 4.35Å; I53-I57 VanDerWaalsContact O-CG1 3.29Å; I53-I57 WeakPolarHBondContact O-CG1 3.26Å; I53-I57 PolarHBondContact O-N 3.4Å; Y54-I57 PolarHBondContact O-N 3.24Å; I57-T59 VanDerWaalsContact C-N 3.34Å; I57-T59 PolarHBondContact O-N 3.23Å; I57-A60 PolarHBondContact O-N 2.99Å; I57-H61 VanDerWaalsContact O-CB 3.25Å; I57-H61 WeakPolarHBondContact O-CB 3.49Å; I57-H61 PolarHBondContact O-N 3.44Å |
| 58 | V | 98.7 | Very high | 97.6 | Very high | 45 Ų | 45 | 37.6 Ų | 37.6 | 27% | 0.273 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -59.8 | -45.5 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 111.1 | I37 Y54 N55 H61 A62 | I37-V58 HydrophobicContact CD1-CB 4.34Å; I37-V58 HydrophobicContact CD1-CG2 3.81Å; I37-V58 HydrophobicContact CG1-CG2 3.88Å; I37-V58 HydrophobicContact CG2-CG2 4.32Å; Y54-V58 HydrophobicContact CD1-CG2 4.1Å; Y54-V58 HydrophobicContact CE1-CG2 3.65Å; Y54-V58 HydrophobicContact CE2-CG2 4.12Å; Y54-V58 HydrophobicContact CG-CG2 4.5Å; Y54-V58 VanDerWaalsContact O-CG2 3.31Å; Y54-V58 WeakPolarHBondContact O-CG2 3.28Å; Y54-V58 PolarHBondContact O-N 3.14Å; N55-V58 PolarHBondContact O-N 2.81Å; V58-H61 PolarHBondContact O-N 3.45Å; V58-A62 PolarHBondContact O-N 3.48Å; V58-A62 VanDerWaalsContact O-N 3.11Å |
| 59 | T | 98.6 | Very high | 97.9 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.8 | -48.9 | 179.5 | -57 | 0 | 0 | 0 | 0 | 111 | N55 V56 I57 A62 F63 A122 G125 | N55-T59 VanDerWaalsContact O-CB 3.31Å; N55-T59 WeakPolarHBondContact O-CB 3.36Å; N55-T59 PolarHBondContact O-N 3.25Å; N55-T59 PolarHBondContact O-OG1 3.4Å; V56-T59 PolarHBondContact O-N 2.97Å; I57-T59 VanDerWaalsContact C-N 3.34Å; I57-T59 PolarHBondContact O-N 3.23Å; T59-A62 PolarHBondContact O-N 3.38Å; T59-F63 HydrophobicContact CG2-CD2 3.79Å; T59-F63 HydrophobicContact CG2-CE2 3.49Å; T59-F63 VanDerWaalsContact CG2-CE2 3.49Å; T59-F63 VanDerWaalsContact O-CD2 3.24Å; T59-F63 WeakPolarHBondContact O-CD2 3.49Å; T59-F63 PolarHBondContact O-N 3.08Å; T59-F63 VanDerWaalsContact O-N 3.15Å; T59-A122 VanDerWaalsContact CB-O 3.32Å; T59-A122 WeakPolarHBondContact CB-O 3.49Å; T59-A122 WeakPolarHBondContact CG2-O 3.35Å; T59-A122 PolarHBondContact OG1-O 3.23Å; T59-G125 VanDerWaalsContact OG1-CA 3.25Å; T59-G125 WeakPolarHBondContact OG1-CA 3.48Å; T59-G125 PolarHBondContact OG1-N 3.1Å |
| 60 | A | 98.6 | Very high | 98 | Very high | 10 Ų | 10 | 36.5 Ų | 36.5 | 8% | 0.083 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | L33 V56 I57 A62 F63 V64 | L33-A60 HydrophobicContact CD1-CB 3.96Å; V56-A60 WeakPolarHBondContact O-CB 3.48Å; V56-A60 PolarHBondContact O-N 2.88Å; I57-A60 PolarHBondContact O-N 2.99Å; A60-A62 PolarHBondContact O-N 2.93Å; A60-F63 PolarHBondContact O-N 3.32Å; A60-V64 WeakPolarHBondContact O-CB 3.41Å; A60-V64 WeakPolarHBondContact O-CG2 3.3Å; A60-V64 PolarHBondContact O-N 3Å |
| 61 | H | 98.8 | Very high | 98.1 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 20% | 0.199 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.6 | -51.3 | 176.8 | 169.1 | 67.4 | 0 | 0 | 0 | 111.3 | G30 L33 S34 I37 I57 V58 F63 V64 M65 | G30-H61 PolarHBondContact O-CE1 2.84Å; G30-H61 PolarHBondContact O-ND1 3.28Å; L33-H61 HydrophobicContact CB-CB 3.86Å; L33-H61 HydrophobicContact CD1-CB 4.38Å; S34-H61 VanDerWaalsContact CB-CE1 3.48Å; S34-H61 WeakPolarHBondContact CB-CE1 3.37Å; I37-H61 HydrophobicContact CD1-CB 3.85Å; I57-H61 VanDerWaalsContact O-CB 3.25Å; I57-H61 WeakPolarHBondContact O-CB 3.49Å; I57-H61 PolarHBondContact O-N 3.44Å; V58-H61 PolarHBondContact O-N 3.45Å; H61-F63 PolarHBondContact O-N 3.45Å; H61-V64 PolarHBondContact O-N 2.99Å; H61-M65 VanDerWaalsContact CE1-CG 3.41Å; H61-M65 WeakPolarHBondContact CE1-CG 3.34Å; H61-M65 WeakPolarHBondContact O-CB 3.46Å; H61-M65 VanDerWaalsContact O-CG 3.25Å; H61-M65 WeakPolarHBondContact O-CG 3.45Å; H61-M65 PolarHBondContact O-N 3Å |
| 62 | A | 98.6 | Very high | 98.3 | Very high | 20 Ų | 20 | 28.3 Ų | 28.3 | 17% | 0.165 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.4 | -47 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V58 T59 A60 M65 I66 W126 | V58-A62 PolarHBondContact O-N 3.48Å; V58-A62 VanDerWaalsContact O-N 3.11Å; T59-A62 PolarHBondContact O-N 3.38Å; A60-A62 PolarHBondContact O-N 2.93Å; A62-M65 PolarHBondContact O-N 3.28Å; A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 3.42Å; A62-W126 HydrophobicContact CB-CB 3.53Å; A62-W126 HydrophobicContact CB-CG 4.15Å |
| 63 | F | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.9 | -73.7 | -51 | 0 | 0 | 0 | 112.8 | T59 A60 H61 M65 I66 F67 F68 L112 W126 V128 T146 L150 | T59-F63 HydrophobicContact CG2-CD2 3.79Å; T59-F63 HydrophobicContact CG2-CE2 3.49Å; T59-F63 VanDerWaalsContact CG2-CE2 3.49Å; T59-F63 VanDerWaalsContact O-CD2 3.24Å; T59-F63 WeakPolarHBondContact O-CD2 3.49Å; T59-F63 PolarHBondContact O-N 3.08Å; T59-F63 VanDerWaalsContact O-N 3.15Å; A60-F63 PolarHBondContact O-N 3.32Å; H61-F63 PolarHBondContact O-N 3.45Å; F63-M65 VanDerWaalsContact C-N 3.34Å; F63-M65 PolarHBondContact O-N 3.08Å; F63-I66 PolarHBondContact O-N 2.95Å; F63-F67 AromaticContact CD1-CD2 3.76Å; F63-F67 HydrophobicContact CD1-CD2 3.76Å; F63-F67 AromaticContact CD1-CE2 3.7Å; F63-F67 HydrophobicContact CD1-CE2 3.7Å; F63-F67 HydrophobicContact CE1-CE2 4.07Å; F63-F67 PolarHBondContact O-N 3.07Å; F63-F68 WeakPolarHBondContact O-CD2 3.5Å; F63-L112 HydrophobicContact CB-CD1 4.05Å; F63-L112 HydrophobicContact CB-CD2 3.63Å; F63-L112 HydrophobicContact CD2-CD1 3.92Å; F63-L112 HydrophobicContact CG-CD1 4.28Å; F63-W126 HydrophobicContact CE1-CB 4.26Å; F63-W126 VanDerWaalsContact CE1-O 3.3Å; F63-W126 WeakPolarHBondContact CE1-O 3.47Å; F63-W126 HydrophobicContact CZ-CB 4.28Å; F63-W126 WeakPolarHBondContact CZ-O 3.32Å; F63-V128 HydrophobicContact CE2-CG2 4.16Å; F63-V128 HydrophobicContact CZ-CG2 3.61Å; F63-T146 HydrophobicContact CD2-CG2 4.19Å; F63-T146 HydrophobicContact CE2-CG2 3.62Å; F63-T146 HydrophobicContact CZ-CG2 4.1Å; F63-L150 HydrophobicContact CD1-CD1 4.49Å; F63-L150 HydrophobicContact CD1-CD2 3.72Å; F63-L150 HydrophobicContact CE1-CD1 3.73Å; F63-L150 HydrophobicContact CE1-CD2 3.77Å; F63-L150 HydrophobicContact CE1-CG 4.29Å; F63-L150 HydrophobicContact CG-CD2 4.5Å; F63-L150 HydrophobicContact CZ-CD1 3.88Å |
| 64 | V | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -57.4 | -47.1 | 176.7 | 171.1 | 0 | 0 | 0 | 0 | 110.8 | A26 L33 A60 H61 F68 M69 L109 L112 | A26-V64 HydrophobicContact CB-CG1 4.33Å; A26-V64 WeakPolarHBondContact O-CG1 3.5Å; L33-V64 HydrophobicContact CD1-CG2 4.41Å; A60-V64 WeakPolarHBondContact O-CB 3.41Å; A60-V64 WeakPolarHBondContact O-CG2 3.3Å; A60-V64 PolarHBondContact O-N 3Å; H61-V64 PolarHBondContact O-N 2.99Å; V64-F68 CarbonylContact O-C 3.6Å; V64-F68 WeakPolarHBondContact O-CA 3.2Å; V64-F68 WeakPolarHBondContact O-CB 3.49Å; V64-F68 PolarHBondContact O-N 3.27Å; V64-F68 VanDerWaalsContact O-N 3.11Å; V64-M69 PolarHBondContact O-N 3.07Å; V64-L109 HydrophobicContact CG2-CD1 4.18Å; V64-L112 HydrophobicContact CG2-CD2 3.78Å |
| 65 | M | 98.7 | Very high | 98.3 | Very high | 45 Ų | 45 | 23 Ų | 23 | 22% | 0.222 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -68.2 | -43.1 | -177.4 | -66.9 | -59.4 | -71.1 | 0 | 0 | 112.6 | H61 A62 F63 M69 V70 | H61-M65 VanDerWaalsContact CE1-CG 3.41Å; H61-M65 WeakPolarHBondContact CE1-CG 3.34Å; H61-M65 WeakPolarHBondContact O-CB 3.46Å; H61-M65 VanDerWaalsContact O-CG 3.25Å; H61-M65 WeakPolarHBondContact O-CG 3.45Å; H61-M65 PolarHBondContact O-N 3Å; A62-M65 PolarHBondContact O-N 3.28Å; F63-M65 VanDerWaalsContact C-N 3.34Å; F63-M65 PolarHBondContact O-N 3.08Å; M65-M69 HydrophobicContact CE-SD 3.37Å; M65-M69 WeakPolarHBondContact CE-SD 3.48Å; M65-M69 WeakPolarHBondContact O-CB 3.48Å; M65-M69 HydrophobicContact SD-SD 3.99Å; M65-V70 WeakPolarHBondContact O-CG2 3.32Å; M65-V70 PolarHBondContact O-N 3.15Å |
| 66 | I | 97.8 | Very high | 98.3 | Very high | 30 Ų | 30 | 20 Ų | 20 | 15% | 0.154 | 11% | 0.11 | C | C | . | . | I | π-helix | trans | -75.2 | -59.8 | -177.1 | -64.8 | 169.1 | 0 | 0 | 0 | 110.6 | A62 F63 M71 W126 E242 L246 | A62-I66 WeakPolarHBondContact O-CG1 3.4Å; A62-I66 PolarHBondContact O-N 3.42Å; F63-I66 PolarHBondContact O-N 2.95Å; I66-M71 PolarHBondContact O-N 3.47Å; I66-M71 VanDerWaalsContact O-N 3.16Å; I66-W126 HydrophobicContact CD1-CD2 4.37Å; I66-W126 HydrophobicContact CD1-CE3 3.86Å; I66-W126 HydrophobicContact CD1-CZ3 3.98Å; I66-E242 HydrophobicContact CG2-CG 4.47Å; I66-L246 HydrophobicContact CG1-CD1 4.43Å; I66-L246 HydrophobicContact CG2-CD1 4.24Å; I66-L246 HydrophobicContact CG2-CD2 4.29Å |
| 67 | F | 98.2 | Very high | 98.3 | Very high | 6 Ų | 6 | 19.4 Ų | 19.4 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | I | π-helix | trans | -87.4 | -23 | -167.4 | -65.7 | -89.6 | 0 | 0 | 0 | 114 | F63 M71 P72 L150 F238 | F63-F67 AromaticContact CD1-CD2 3.76Å; F63-F67 HydrophobicContact CD1-CD2 3.76Å; F63-F67 AromaticContact CD1-CE2 3.7Å; F63-F67 HydrophobicContact CD1-CE2 3.7Å; F63-F67 HydrophobicContact CE1-CE2 4.07Å; F63-F67 PolarHBondContact O-N 3.07Å; F67-M71 HydrophobicContact CB-CE 4.09Å; F67-M71 HydrophobicContact CD1-CE 3.07Å; F67-M71 HydrophobicContact CE1-CE 3.56Å; F67-M71 HydrophobicContact CG-CE 3.75Å; F67-P72 VanDerWaalsContact O-CD 3.23Å; F67-P72 WeakPolarHBondContact O-CD 3.46Å; F67-P72 WeakPolarHBondContact O-CG 3.3Å; F67-L150 HydrophobicContact CD1-CD2 4.34Å; F67-L150 HydrophobicContact CD2-CD2 3.97Å; F67-L150 HydrophobicContact CE1-CD2 4.35Å; F67-L150 HydrophobicContact CE2-CD2 3.95Å; F67-L150 HydrophobicContact CG-CD2 4.19Å; F67-L150 HydrophobicContact CZ-CD2 4.15Å; F67-F238 HydrophobicContact CE1-CZ 4.04Å; F67-F238 HydrophobicContact CZ-CE1 4.18Å; F67-F238 AromaticContact CZ-CZ 3.84Å; F67-F238 HydrophobicContact CZ-CZ 3.84Å |
| 68 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -115.9 | -16.7 | -173.1 | -58.7 | -79.4 | 0 | 0 | 0 | 114.3 | F22 G23 A26 F63 V64 P72 S108 L109 L112 S149 A153 | F22-F68 HydrophobicContact CE1-CB 4.16Å; F22-F68 AromaticContact CE1-CD1 3.97Å; F22-F68 HydrophobicContact CE1-CD1 3.97Å; F22-F68 HydrophobicContact CZ-CB 4.45Å; F22-F68 AromaticContact CZ-CD1 3.8Å; F22-F68 HydrophobicContact CZ-CD1 3.8Å; G23-F68 WeakPolarHBondContact CA-O 3.47Å; A26-F68 HydrophobicContact CB-CB 3.9Å; A26-F68 VanDerWaalsContact CB-O 3.29Å; A26-F68 WeakPolarHBondContact CB-O 3.26Å; F63-F68 WeakPolarHBondContact O-CD2 3.5Å; V64-F68 CarbonylContact O-C 3.6Å; V64-F68 WeakPolarHBondContact O-CA 3.2Å; V64-F68 WeakPolarHBondContact O-CB 3.49Å; V64-F68 PolarHBondContact O-N 3.27Å; V64-F68 VanDerWaalsContact O-N 3.11Å; F68-P72 WeakPolarHBondContact O-CG 3.47Å; F68-S108 VanDerWaalsContact CE1-OG 3.27Å; F68-S108 WeakPolarHBondContact CE1-OG 3.26Å; F68-S108 WeakPolarHBondContact CZ-OG 3.39Å; F68-L109 HydrophobicContact CB-CD1 4.29Å; F68-L109 HydrophobicContact CD1-CB 3.73Å; F68-L109 HydrophobicContact CD1-CD1 4.11Å; F68-L109 HydrophobicContact CD1-CG 4.35Å; F68-L109 HydrophobicContact CD2-CD1 4.07Å; F68-L109 HydrophobicContact CE1-CB 3.71Å; F68-L109 HydrophobicContact CE1-CD1 4.46Å; F68-L109 HydrophobicContact CE2-CD1 4.45Å; F68-L109 HydrophobicContact CG-CB 4.37Å; F68-L109 HydrophobicContact CG-CD1 3.87Å; F68-L109 HydrophobicContact CZ-CB 4.37Å; F68-L112 HydrophobicContact CD2-CD2 4Å; F68-L112 HydrophobicContact CE2-CB 4.49Å; F68-L112 HydrophobicContact CE2-CD2 3.64Å; F68-S149 WeakPolarHBondContact CZ-OG 3.19Å; F68-A153 HydrophobicContact CZ-CB 4.4Å |
| 69 | M | 98.5 | Very high | 98.3 | Very high | 51 Ų | 51 | 19.6 Ų | 19.6 | 25% | 0.251 | 10% | 0.103 | S | C | . | . | I | π-helix | trans | -107.5 | -71.1 | 172.4 | 180 | -136.8 | 170.1 | 0 | 0 | 111.7 | V64 M65 P72 I73 | V64-M69 PolarHBondContact O-N 3.07Å; M65-M69 HydrophobicContact CE-SD 3.37Å; M65-M69 WeakPolarHBondContact CE-SD 3.48Å; M65-M69 WeakPolarHBondContact O-CB 3.48Å; M65-M69 HydrophobicContact SD-SD 3.99Å; M69-P72 WeakPolarHBondContact O-CD 3.15Å; M69-I73 HydrophobicContact CE-CD1 4.13Å; M69-I73 HydrophobicContact CG-CD1 3.83Å; M69-I73 WeakPolarHBondContact O-CB 3.25Å; M69-I73 VanDerWaalsContact O-CG1 3.26Å; M69-I73 WeakPolarHBondContact O-CG1 3.38Å; M69-I73 PolarHBondContact O-N 3.24Å |
| 70 | V | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 19.5 Ų | 19.5 | 23% | 0.23 | 10% | 0.102 | C | C | . | . | I | π-helix | trans | -64.2 | -51.7 | -168 | 177.4 | 0 | 0 | 0 | 0 | 111.3 | M65 I73 M74 L246 | M65-V70 WeakPolarHBondContact O-CG2 3.32Å; M65-V70 PolarHBondContact O-N 3.15Å; V70-I73 PolarHBondContact O-N 3.45Å; V70-M74 HydrophobicContact CG1-CG 3.92Å; V70-M74 VanDerWaalsContact O-CB 3.25Å; V70-M74 WeakPolarHBondContact O-CB 3.45Å; V70-M74 WeakPolarHBondContact O-CG 3.29Å; V70-M74 PolarHBondContact O-N 3.43Å; V70-L246 HydrophobicContact CB-CD2 4.08Å; V70-L246 HydrophobicContact CG1-CB 4.17Å; V70-L246 HydrophobicContact CG1-CD2 3.66Å; V70-L246 HydrophobicContact CG1-CG 4.4Å |
| 71 | M | 97.3 | Very high | 98.3 | Very high | 11 Ų | 11 | 23 Ų | 23 | 5% | 0.054 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -59.2 | -50.6 | 178.2 | -87.1 | -156.9 | -78.5 | 0 | 0 | 113 | I66 F67 I73 M74 I75 G76 L195 E242 I245 L246 | I66-M71 PolarHBondContact O-N 3.47Å; I66-M71 VanDerWaalsContact O-N 3.16Å; F67-M71 HydrophobicContact CB-CE 4.09Å; F67-M71 HydrophobicContact CD1-CE 3.07Å; F67-M71 HydrophobicContact CE1-CE 3.56Å; F67-M71 HydrophobicContact CG-CE 3.75Å; M71-I73 PolarHBondContact O-N 3.25Å; M71-M74 PolarHBondContact O-N 3.32Å; M71-I75 PolarHBondContact O-N 3Å; M71-G76 PolarHBondContact O-N 2.9Å; M71-L195 HydrophobicContact SD-CD2 4.13Å; M71-E242 VanDerWaalsContact CE-OE1 3.22Å; M71-E242 WeakPolarHBondContact CE-OE1 3.45Å; M71-I245 HydrophobicContact CG-CG2 4.48Å; M71-I245 HydrophobicContact SD-CG2 4.39Å; M71-L246 HydrophobicContact CG-CD2 3.82Å |
| 72 | P | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.019 | 12% | 0.116 | C | C | . | . | I | π-helix | trans | -59.3 | -39.1 | 176.1 | -33.8 | 42.6 | 0 | 0 | 0 | 114.2 | Y19 F22 F67 F68 M69 G76 G77 L105 | Y19-P72 HydrophobicContact CD1-CB 4.03Å; F22-P72 HydrophobicContact CD1-CB 4.14Å; F22-P72 HydrophobicContact CD1-CG 4.31Å; F22-P72 HydrophobicContact CE1-CG 4.23Å; F67-P72 VanDerWaalsContact O-CD 3.23Å; F67-P72 WeakPolarHBondContact O-CD 3.46Å; F67-P72 WeakPolarHBondContact O-CG 3.3Å; F68-P72 WeakPolarHBondContact O-CG 3.47Å; M69-P72 WeakPolarHBondContact O-CD 3.15Å; P72-G76 CarbonylContact O-C 3.59Å; P72-G76 VanDerWaalsContact O-C 3.3Å; P72-G76 WeakPolarHBondContact O-CA 3.39Å; P72-G76 PolarHBondContact O-N 3.45Å; P72-G77 PolarHBondContact O-N 3.11Å; P72-L105 HydrophobicContact CB-CD1 4.14Å; P72-L105 HydrophobicContact CG-CD1 3.72Å |
| 73 | I | 98.7 | Very high | 98.3 | Very high | 32 Ų | 32 | 22.2 Ų | 22.2 | 16% | 0.164 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -71.1 | -50.5 | 178.9 | -69.6 | 175.1 | 0 | 0 | 0 | 110.9 | L20 M69 V70 M71 G77 F78 | L20-I73 HydrophobicContact CD2-CG2 4.07Å; M69-I73 HydrophobicContact CE-CD1 4.13Å; M69-I73 HydrophobicContact CG-CD1 3.83Å; M69-I73 WeakPolarHBondContact O-CB 3.25Å; M69-I73 VanDerWaalsContact O-CG1 3.26Å; M69-I73 WeakPolarHBondContact O-CG1 3.38Å; M69-I73 PolarHBondContact O-N 3.24Å; V70-I73 PolarHBondContact O-N 3.45Å; M71-I73 PolarHBondContact O-N 3.25Å; I73-G77 WeakPolarHBondContact O-CA 3.44Å; I73-G77 PolarHBondContact O-N 2.96Å; I73-F78 HydrophobicContact CG2-CD2 4.02Å; I73-F78 HydrophobicContact CG2-CE2 3.78Å; I73-F78 WeakPolarHBondContact O-CD2 3.18Å; I73-F78 PolarHBondContact O-N 3.45Å |
| 74 | M | 97.8 | Very high | 98.3 | Very high | 28 Ų | 28 | 22.2 Ų | 22.2 | 14% | 0.138 | 11% | 0.108 | C | C | . | . | I | π-helix | trans | -76.9 | -46.1 | -167.5 | -62.1 | -64.2 | -71 | 0 | 0 | 112.3 | V70 M71 F78 G79 P249 G250 M253 | V70-M74 HydrophobicContact CG1-CG 3.92Å; V70-M74 VanDerWaalsContact O-CB 3.25Å; V70-M74 WeakPolarHBondContact O-CB 3.45Å; V70-M74 WeakPolarHBondContact O-CG 3.29Å; V70-M74 PolarHBondContact O-N 3.43Å; M71-M74 PolarHBondContact O-N 3.32Å; M74-F78 HydrophobicContact SD-CD2 4.4Å; M74-G79 PolarHBondContact O-N 3.16Å; M74-P249 HydrophobicContact CB-CB 4.25Å; M74-P249 HydrophobicContact CE-CB 3.91Å; M74-G250 VanDerWaalsContact CE-N 3.34Å; M74-M253 HydrophobicContact CE-CE 3.13Å; M74-M253 HydrophobicContact SD-CE 3.62Å |
| 75 | I | 96.9 | Very high | 98.3 | Very high | 17 Ų | 17 | 26.2 Ų | 26.2 | 9% | 0.087 | 13% | 0.129 | C | C | . | . | I | π-helix | trans | -96.1 | -50.2 | -179.1 | -66.4 | -60.9 | 0 | 0 | 0 | 110.7 | M71 G79 F164 V188 T191 P249 | M71-I75 PolarHBondContact O-N 3Å; I75-G79 WeakPolarHBondContact O-CA 3.43Å; I75-G79 PolarHBondContact O-N 2.64Å; I75-F164 HydrophobicContact CG2-CD2 4.16Å; I75-F164 HydrophobicContact CG2-CE2 3.64Å; I75-F164 WeakPolarHBondContact O-CZ 3.45Å; I75-V188 HydrophobicContact CD1-CG1 4.4Å; I75-V188 HydrophobicContact CD1-CG2 4.4Å; I75-T191 HydrophobicContact CD1-CG2 3.47Å; I75-T191 VanDerWaalsContact CD1-CG2 3.47Å; I75-T191 HydrophobicContact CG1-CG2 3.84Å; I75-P249 HydrophobicContact CD1-CB 4.34Å; I75-P249 HydrophobicContact CD1-CG 3.42Å; I75-P249 VanDerWaalsContact CD1-CG 3.42Å; I75-P249 HydrophobicContact CG1-CG 4.14Å |
| 76 | G | 97.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 4% | 0.041 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -64.6 | -49.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y19 M71 P72 N80 | Y19-G76 VanDerWaalsContact CB-C 3.43Å; Y19-G76 VanDerWaalsContact CD2-O 3.32Å; Y19-G76 WeakPolarHBondContact CD2-O 3.39Å; Y19-G76 VanDerWaalsContact CG-C 3.42Å; Y19-G76 VanDerWaalsContact CG-CA 3.48Å; M71-G76 PolarHBondContact O-N 2.9Å; P72-G76 CarbonylContact O-C 3.59Å; P72-G76 VanDerWaalsContact O-C 3.3Å; P72-G76 WeakPolarHBondContact O-CA 3.39Å; P72-G76 PolarHBondContact O-N 3.45Å; G76-N80 WeakPolarHBondContact O-CB 3.17Å; G76-N80 PolarHBondContact O-N 3.11Å; G76-N80 PolarHBondContact O-ND2 2.91Å |
| 77 | G | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.125 | C | C | . | . | I | π-helix | trans | -80.8 | -72.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112 | G16 P72 I73 G79 N80 W81 | G16-G77 WeakPolarHBondContact O-CA 3.47Å; P72-G77 PolarHBondContact O-N 3.11Å; I73-G77 WeakPolarHBondContact O-CA 3.44Å; I73-G77 PolarHBondContact O-N 2.96Å; G77-G79 VanDerWaalsContact C-N 3.34Å; G77-G79 PolarHBondContact O-N 3.47Å; G77-N80 PolarHBondContact O-N 3.44Å; G77-W81 WeakPolarHBondContact O-CB 3.32Å; G77-W81 PolarHBondContact O-N 3.42Å |
| 78 | F | 98.8 | Very high | 98.1 | Very high | 69 Ų | 69 | 27.9 Ų | 27.9 | 30% | 0.303 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -63.1 | -38.6 | -178.8 | -72.2 | -62.6 | 0 | 0 | 0 | 112.7 | L20 I73 M74 W81 L82 F184 M253 | L20-F78 HydrophobicContact CD2-CE2 4.43Å; I73-F78 HydrophobicContact CG2-CD2 4.02Å; I73-F78 HydrophobicContact CG2-CE2 3.78Å; I73-F78 WeakPolarHBondContact O-CD2 3.18Å; I73-F78 PolarHBondContact O-N 3.45Å; M74-F78 HydrophobicContact SD-CD2 4.4Å; F78-W81 PolarHBondContact O-N 3.19Å; F78-L82 HydrophobicContact CB-CD1 4.32Å; F78-L82 HydrophobicContact CD1-CD1 4.01Å; F78-L82 VanDerWaalsContact O-CB 3.26Å; F78-L82 WeakPolarHBondContact O-CB 3.3Å; F78-L82 WeakPolarHBondContact O-CG 3.21Å; F78-L82 PolarHBondContact O-N 3.22Å; F78-F184 HydrophobicContact CB-CE2 4.47Å; F78-F184 HydrophobicContact CB-CZ 3.84Å; F78-M253 HydrophobicContact CB-SD 4.5Å; F78-M253 HydrophobicContact CD1-SD 4.37Å; F78-M253 HydrophobicContact CD2-CE 4.42Å; F78-M253 HydrophobicContact CD2-SD 3.84Å; F78-M253 HydrophobicContact CE2-SD 4.08Å; F78-M253 HydrophobicContact CG-SD 4Å; F78-M253 HydrophobicContact CZ-SD 4.45Å |
| 79 | G | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -58.6 | -54.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M74 I75 G77 W81 V83 F164 | M74-G79 PolarHBondContact O-N 3.16Å; I75-G79 WeakPolarHBondContact O-CA 3.43Å; I75-G79 PolarHBondContact O-N 2.64Å; G77-G79 VanDerWaalsContact C-N 3.34Å; G77-G79 PolarHBondContact O-N 3.47Å; G79-W81 VanDerWaalsContact C-N 3.35Å; G79-W81 PolarHBondContact O-N 2.93Å; G79-V83 WeakPolarHBondContact O-CB 3.32Å; G79-V83 VanDerWaalsContact O-CG2 3.3Å; G79-V83 WeakPolarHBondContact O-CG2 3.18Å; G79-V83 PolarHBondContact O-N 2.72Å; G79-F164 VanDerWaalsContact C-CE1 3.41Å |
| 80 | N | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.9 | -37.2 | -179.7 | -81.6 | -67.7 | 0 | 0 | 0 | 112.9 | H12 G76 G77 P84 N98 | H12-N80 PolarHBondContact ND1-O 2.96Å; G76-N80 WeakPolarHBondContact O-CB 3.17Å; G76-N80 PolarHBondContact O-N 3.11Å; G76-N80 PolarHBondContact O-ND2 2.91Å; G77-N80 PolarHBondContact O-N 3.44Å; N80-P84 WeakPolarHBondContact O-CD 3.38Å; N80-N98 PolarHBondContact ND2-OD1 3.01Å; N80-N98 PolarHBondContact OD1-ND2 2.91Å; N80-N98 PolarHBondContact OD1-OD1 2.94Å |
| 81 | W | 98.3 | Very high | 98 | Very high | 84 Ų | 84 | 31 Ų | 31 | 32% | 0.318 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -67 | -58.1 | 177.7 | -136.7 | 127.3 | 0 | 0 | 0 | 110.2 | K13 G77 F78 G79 L85 | K13-W81 HydrophobicContact CB-CZ2 4.43Å; K13-W81 HydrophobicContact CD-CE3 4.34Å; K13-W81 HydrophobicContact CD-CH2 3.67Å; K13-W81 HydrophobicContact CD-CZ2 4.19Å; K13-W81 HydrophobicContact CD-CZ3 3.7Å; K13-W81 HydrophobicContact CG-CD2 4.29Å; K13-W81 HydrophobicContact CG-CE3 4.05Å; K13-W81 HydrophobicContact CG-CH2 4.15Å; K13-W81 HydrophobicContact CG-CZ2 4.37Å; K13-W81 HydrophobicContact CG-CZ3 3.92Å; G77-W81 WeakPolarHBondContact O-CB 3.32Å; G77-W81 PolarHBondContact O-N 3.42Å; F78-W81 PolarHBondContact O-N 3.19Å; G79-W81 VanDerWaalsContact C-N 3.35Å; G79-W81 PolarHBondContact O-N 2.93Å; W81-L85 HydrophobicContact CE3-CD1 3.51Å; W81-L85 HydrophobicContact CE3-CG 4.03Å; W81-L85 HydrophobicContact CH2-CD1 4.37Å; W81-L85 HydrophobicContact CZ3-CD1 3.21Å; W81-L85 HydrophobicContact CZ3-CD2 4.25Å; W81-L85 HydrophobicContact CZ3-CG 3.88Å |
| 82 | L | 98.7 | Very high | 98 | Very high | 47 Ų | 47 | 30.6 Ų | 30.6 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -87.8 | -31.2 | -162 | -58.8 | 176.7 | 0 | 0 | 0 | 113.6 | F78 L85 M86 F184 | F78-L82 HydrophobicContact CB-CD1 4.32Å; F78-L82 HydrophobicContact CD1-CD1 4.01Å; F78-L82 VanDerWaalsContact O-CB 3.26Å; F78-L82 WeakPolarHBondContact O-CB 3.3Å; F78-L82 WeakPolarHBondContact O-CG 3.21Å; F78-L82 PolarHBondContact O-N 3.22Å; L82-L85 PolarHBondContact O-N 3.5Å; L82-M86 HydrophobicContact CB-CE 4.13Å; L82-M86 HydrophobicContact CB-SD 4.28Å; L82-M86 HydrophobicContact CD1-CE 4.17Å; L82-M86 VanDerWaalsContact O-CB 3.26Å; L82-M86 WeakPolarHBondContact O-CB 3.38Å; L82-M86 VanDerWaalsContact O-CG 3.26Å; L82-M86 WeakPolarHBondContact O-CG 3.27Å; L82-M86 PolarHBondContact O-N 3.4Å; L82-F184 HydrophobicContact CB-CD1 4.12Å; L82-F184 HydrophobicContact CB-CE1 3.76Å; L82-F184 HydrophobicContact CD1-CD1 4.37Å; L82-F184 HydrophobicContact CD1-CE1 4.05Å; L82-F184 HydrophobicContact CD1-CZ 4.35Å; L82-F184 HydrophobicContact CG-CE1 4.48Å |
| 83 | V | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.5 | -54.4 | -174.3 | 168.7 | 0 | 0 | 0 | 0 | 111.9 | G79 L85 M86 I87 F164 I168 F184 V185 V188 | G79-V83 WeakPolarHBondContact O-CB 3.32Å; G79-V83 VanDerWaalsContact O-CG2 3.3Å; G79-V83 WeakPolarHBondContact O-CG2 3.18Å; G79-V83 PolarHBondContact O-N 2.72Å; V83-L85 VanDerWaalsContact C-N 3.29Å; V83-L85 PolarHBondContact O-N 3.38Å; V83-M86 PolarHBondContact O-N 3.37Å; V83-I87 HydrophobicContact CG1-CD1 4.43Å; V83-I87 WeakPolarHBondContact O-CG1 3.38Å; V83-I87 PolarHBondContact O-N 3.09Å; V83-I87 VanDerWaalsContact O-N 3.14Å; V83-F164 HydrophobicContact CB-CD1 4.42Å; V83-F164 HydrophobicContact CB-CE1 4.29Å; V83-F164 HydrophobicContact CG1-CD1 4.4Å; V83-F164 HydrophobicContact CG2-CD1 4.28Å; V83-F164 HydrophobicContact CG2-CE1 4.18Å; V83-I168 HydrophobicContact CG1-CD1 3.98Å; V83-I168 HydrophobicContact CG1-CG1 3.54Å; V83-F184 HydrophobicContact CG2-CE1 4.2Å; V83-V185 HydrophobicContact CG1-CG1 4.44Å; V83-V188 HydrophobicContact CG2-CB 4.1Å; V83-V188 HydrophobicContact CG2-CG1 3.98Å; V83-V188 HydrophobicContact CG2-CG2 4.09Å |
| 84 | P | 98.4 | Very high | 98 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.8 | -40.9 | 178.5 | -27.2 | 38 | 0 | 0 | 0 | 112.5 | H12 N80 I87 G88 A89 M92 | H12-P84 HydrophobicContact CB-CG 4.29Å; N80-P84 WeakPolarHBondContact O-CD 3.38Å; P84-I87 PolarHBondContact O-N 3.29Å; P84-G88 CarbonylContact O-C 3.57Å; P84-G88 PolarHBondContact O-N 3.39Å; P84-A89 HydrophobicContact CB-CB 4.24Å; P84-A89 PolarHBondContact O-N 2.76Å; P84-M92 HydrophobicContact CG-CG 4.11Å; P84-M92 HydrophobicContact CG-SD 3.48Å; P84-M92 WeakPolarHBondContact CG-SD 3.34Å |
| 85 | L | 98.3 | Very high | 98.1 | Very high | 84 Ų | 84 | 34.7 Ų | 34.7 | 44% | 0.44 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.4 | -47.9 | 177.5 | -69.2 | -167.5 | 0 | 0 | 0 | 113 | W81 L82 V83 I87 G88 | W81-L85 HydrophobicContact CE3-CD1 3.51Å; W81-L85 HydrophobicContact CE3-CG 4.03Å; W81-L85 HydrophobicContact CH2-CD1 4.37Å; W81-L85 HydrophobicContact CZ3-CD1 3.21Å; W81-L85 HydrophobicContact CZ3-CD2 4.25Å; W81-L85 HydrophobicContact CZ3-CG 3.88Å; L82-L85 PolarHBondContact O-N 3.5Å; V83-L85 VanDerWaalsContact C-N 3.29Å; V83-L85 PolarHBondContact O-N 3.38Å; L85-I87 PolarHBondContact O-N 3.07Å; L85-G88 PolarHBondContact O-N 3.05Å; L85-G88 VanDerWaalsContact O-N 3.12Å |
| 86 | M | 97.8 | Very high | 98.1 | Very high | 60 Ų | 60 | 43.8 Ų | 43.8 | 30% | 0.296 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.8 | -23.1 | -174.5 | -77.5 | -173.4 | 176.5 | 0 | 0 | 112.5 | L82 V83 P182 F184 V185 | L82-M86 HydrophobicContact CB-CE 4.13Å; L82-M86 HydrophobicContact CB-SD 4.28Å; L82-M86 HydrophobicContact CD1-CE 4.17Å; L82-M86 VanDerWaalsContact O-CB 3.26Å; L82-M86 WeakPolarHBondContact O-CB 3.38Å; L82-M86 VanDerWaalsContact O-CG 3.26Å; L82-M86 WeakPolarHBondContact O-CG 3.27Å; L82-M86 PolarHBondContact O-N 3.4Å; V83-M86 PolarHBondContact O-N 3.37Å; M86-P182 HydrophobicContact CB-CG 4.2Å; M86-P182 HydrophobicContact SD-CB 4.29Å; M86-F184 HydrophobicContact CE-CB 4.42Å; M86-F184 HydrophobicContact CE-CD1 4.32Å; M86-F184 HydrophobicContact SD-CB 3.98Å; M86-F184 HydrophobicContact SD-CD1 3.76Å; M86-F184 HydrophobicContact SD-CG 4.29Å; M86-V185 HydrophobicContact CB-CG2 3.63Å; M86-V185 HydrophobicContact CG-CG2 4.49Å; M86-V185 HydrophobicContact SD-CG2 4.11Å |
| 87 | I | 97.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 46.4 Ų | 46.4 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -100.8 | -0.9 | 173.3 | 74.5 | -179.4 | 0 | 0 | 0 | 113.4 | V83 P84 L85 A89 T167 K172 P173 V185 | V83-I87 HydrophobicContact CG1-CD1 4.43Å; V83-I87 WeakPolarHBondContact O-CG1 3.38Å; V83-I87 PolarHBondContact O-N 3.09Å; V83-I87 VanDerWaalsContact O-N 3.14Å; P84-I87 PolarHBondContact O-N 3.29Å; L85-I87 PolarHBondContact O-N 3.07Å; I87-A89 VanDerWaalsContact C-N 3.31Å; I87-A89 HydrophobicContact CD1-CB 3.94Å; I87-A89 HydrophobicContact CG1-CB 3.73Å; I87-A89 PolarHBondContact O-N 2.77Å; I87-T167 HydrophobicContact CD1-CG2 4.01Å; I87-K172 HydrophobicContact CB-CG 4.11Å; I87-K172 HydrophobicContact CD1-CG 4.38Å; I87-K172 HydrophobicContact CG2-CG 4.39Å; I87-P173 WeakPolarHBondContact O-CD 3.43Å; I87-V185 HydrophobicContact CG2-CB 4.42Å; I87-V185 HydrophobicContact CG2-CG1 3.75Å; I87-V185 HydrophobicContact CG2-CG2 3.96Å |
| 88 | G | 96.8 | Very high | 98.2 | Very high | 54 Ų | 54 | 46.4 Ų | 46.4 | 56% | 0.557 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 21.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.9 | P84 L85 | P84-G88 CarbonylContact O-C 3.57Å; P84-G88 PolarHBondContact O-N 3.39Å; L85-G88 PolarHBondContact O-N 3.05Å; L85-G88 VanDerWaalsContact O-N 3.12Å |
| 89 | A | 97.4 | Very high | 98.2 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 7% | 0.074 | 23% | 0.234 | C | C | . | . | trans | -80.5 | 143.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | P84 I87 M171 | P84-A89 HydrophobicContact CB-CB 4.24Å; P84-A89 PolarHBondContact O-N 2.76Å; I87-A89 VanDerWaalsContact C-N 3.31Å; I87-A89 HydrophobicContact CD1-CB 3.94Å; I87-A89 HydrophobicContact CG1-CB 3.73Å; I87-A89 PolarHBondContact O-N 2.77Å; A89-M171 HydrophobicContact CB-CB 3.92Å; A89-M171 HydrophobicContact CB-CE 4.35Å | ||
| 90 | P | 96.9 | Very high | 98.2 | Very high | 115 Ų | 115 | 49.1 Ų | 49.1 | 75% | 0.747 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -69.8 | -31.1 | 179.3 | 26.9 | -34.3 | 0 | 0 | 0 | 113.4 | M171 | P90-M171 HydrophobicContact CG-CE 4.5Š|
| 91 | D | 97.9 | Very high | 98.2 | Very high | 29 Ų | 29 | 49.1 Ų | 49.1 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -161 | -174.4 | 177.7 | -147.4 | -37.6 | 0 | 0 | 0 | 109.1 | T10 H12 M171 | T10-D91 VanDerWaalsContact O-OD2 3.1Å; H12-D91 VanDerWaalsContact CB-OD1 3.24Å; H12-D91 WeakPolarHBondContact CB-OD1 3.36Å; H12-D91 IonicContact CD2-OD1 3.46Å; H12-D91 PolarHBondContact CD2-OD1 2.97Å; H12-D91 IonicContact CG-OD1 3.67Å; H12-D91 PolarHBondContact N-OD1 3.47Å; D91-M171 VanDerWaalsContact O-CE 3.22Å; D91-M171 WeakPolarHBondContact O-CE 3.4Å |
| 92 | M | 98.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.02 | 25% | 0.245 | C | C | . | . | trans | -73.6 | 156.8 | 169.7 | -61 | -67.7 | -72.3 | 0 | 0 | 111.9 | H12 P84 F94 P95 N163 F164 T167 | H12-M92 HydrophobicContact CB-CG 3.82Å; P84-M92 HydrophobicContact CG-CG 4.11Å; P84-M92 HydrophobicContact CG-SD 3.48Å; P84-M92 WeakPolarHBondContact CG-SD 3.34Å; M92-F94 VanDerWaalsContact C-N 3.34Å; M92-F94 PolarHBondContact O-N 2.93Å; M92-P95 WeakPolarHBondContact O-CD 3.22Å; M92-P95 WeakPolarHBondContact O-CG 3.48Å; M92-N163 HydrophobicContact CE-CB 4.34Å; M92-N163 WeakPolarHBondContact CE-ND2 3.47Å; M92-F164 HydrophobicContact CE-CD1 3.46Å; M92-F164 VanDerWaalsContact CE-CD1 3.46Å; M92-F164 HydrophobicContact CE-CE1 3.52Å; M92-F164 HydrophobicContact CE-CG 4.04Å; M92-F164 HydrophobicContact CE-CZ 4.19Å; M92-F164 HydrophobicContact SD-CD1 4.41Å; M92-F164 HydrophobicContact SD-CE1 4.2Å; M92-T167 HydrophobicContact SD-CG2 3.96Å | ||
| 93 | A | 98.5 | Very high | 98.2 | Very high | 30 Ų | 30 | 47.7 Ų | 47.7 | 25% | 0.248 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -63.1 | -37.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | P95 N163 T166 T167 M171 | A93-P95 WeakPolarHBondContact O-CD 3.39Å; A93-N163 PolarHBondContact N-OD1 3.1Å; A93-T166 HydrophobicContact CB-CG2 3.62Å; A93-T167 WeakPolarHBondContact CB-OG1 3.24Å; A93-T167 PolarHBondContact N-OG1 3.18Å; A93-M171 WeakPolarHBondContact CA-SD 3.24Å; A93-M171 HydrophobicContact CB-SD 3.66Å; A93-M171 PolarHBondContact N-SD 3.18Å |
| 94 | F | 98.7 | Very high | 98.2 | Very high | 80 Ų | 80 | 49 Ų | 49 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -122.9 | 75.5 | 179.6 | -51 | -55.1 | 0 | 0 | 0 | 111.5 | M92 R96 M97 N98 I162 N163 T166 | M92-F94 VanDerWaalsContact C-N 3.34Å; M92-F94 PolarHBondContact O-N 2.93Å; F94-R96 VanDerWaalsContact C-N 3.34Å; F94-R96 PolarHBondContact O-N 3.39Å; F94-M97 HydrophobicContact CB-CB 3.7Å; F94-M97 HydrophobicContact CB-CE 4.46Å; F94-M97 HydrophobicContact CB-SD 4.28Å; F94-M97 HydrophobicContact CD2-CE 4.3Å; F94-M97 HydrophobicContact CD2-SD 4.15Å; F94-M97 HydrophobicContact CG-CE 4.4Å; F94-M97 PolarHBondContact O-N 3.32Å; F94-N98 PolarHBondContact O-N 2.88Å; F94-I162 HydrophobicContact CD2-CG2 4.49Å; F94-I162 HydrophobicContact CE2-CG2 4.1Å; F94-N163 HydrophobicContact CD2-CB 4.24Å; F94-N163 PolarHBondContact N-OD1 3.46Å; F94-N163 PolarHBondContact O-ND2 3.24Å; F94-T166 HydrophobicContact CE2-CG2 3.75Å; F94-T166 WeakPolarHBondContact CE2-OG1 3.37Å; F94-T166 HydrophobicContact CZ-CG2 3.69Å |
| 95 | P | 98.4 | Very high | 98.2 | Very high | 38 Ų | 38 | 49.2 Ų | 49.2 | 25% | 0.247 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -37.8 | -173.1 | -28.9 | 37.3 | 0 | 0 | 0 | 115.2 | T10 M92 A93 N98 N99 | T10-P95 HydrophobicContact CG2-CB 4.32Å; T10-P95 WeakPolarHBondContact O-CB 3.37Å; M92-P95 WeakPolarHBondContact O-CD 3.22Å; M92-P95 WeakPolarHBondContact O-CG 3.48Å; A93-P95 WeakPolarHBondContact O-CD 3.39Å; P95-N98 VanDerWaalsContact O-CB 3.24Å; P95-N98 WeakPolarHBondContact O-CB 3.41Å; P95-N98 PolarHBondContact O-N 2.81Å; P95-N99 PolarHBondContact O-N 2.93Å; P95-N99 VanDerWaalsContact O-N 3.1Å |
| 96 | R | 98.6 | Very high | 98.2 | Very high | 208 Ų | 208 | 46.8 Ų | 46.8 | 79% | 0.785 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -74.2 | -38 | 178.5 | -65.1 | -179.6 | -175.2 | 171 | 1.7 | 112.6 | T10 F94 N98 N99 M100 | T10-R96 HydrophobicContact CG2-CG 3.95Å; F94-R96 VanDerWaalsContact C-N 3.34Å; F94-R96 PolarHBondContact O-N 3.39Å; R96-N98 PolarHBondContact O-N 3.45Å; R96-N99 PolarHBondContact O-N 2.9Å; R96-M100 PolarHBondContact O-N 3.48Å |
| 97 | M | 98.3 | Very high | 98.3 | Very high | 59 Ų | 59 | 46.6 Ų | 46.6 | 29% | 0.291 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -63.4 | -36.3 | 172.4 | -175.3 | -172.8 | -67.4 | 0 | 0 | 110.1 | F94 M100 S101 L159 I162 | F94-M97 HydrophobicContact CB-CB 3.7Å; F94-M97 HydrophobicContact CB-CE 4.46Å; F94-M97 HydrophobicContact CB-SD 4.28Å; F94-M97 HydrophobicContact CD2-CE 4.3Å; F94-M97 HydrophobicContact CD2-SD 4.15Å; F94-M97 HydrophobicContact CG-CE 4.4Å; F94-M97 PolarHBondContact O-N 3.32Å; M97-M100 PolarHBondContact O-N 3.34Å; M97-S101 PolarHBondContact O-N 3.39Å; M97-L159 HydrophobicContact CE-CD2 4.47Å; M97-L159 HydrophobicContact CG-CB 3.92Å; M97-L159 HydrophobicContact CG-CD2 3.91Å; M97-L159 HydrophobicContact CG-CG 4.32Å; M97-L159 HydrophobicContact SD-CB 4.29Å; M97-L159 HydrophobicContact SD-CD2 3.95Å; M97-I162 HydrophobicContact SD-CG2 4.48Å |
| 98 | N | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -46.5 | 172.8 | -157.2 | 32.8 | 0 | 0 | 0 | 112.2 | I15 N80 F94 P95 R96 M100 S101 F102 N163 | I15-N98 HydrophobicContact CD1-CB 4.12Å; N80-N98 PolarHBondContact ND2-OD1 3.01Å; N80-N98 PolarHBondContact OD1-ND2 2.91Å; N80-N98 PolarHBondContact OD1-OD1 2.94Å; F94-N98 PolarHBondContact O-N 2.88Å; P95-N98 VanDerWaalsContact O-CB 3.24Å; P95-N98 WeakPolarHBondContact O-CB 3.41Å; P95-N98 PolarHBondContact O-N 2.81Å; R96-N98 PolarHBondContact O-N 3.45Å; N98-M100 PolarHBondContact O-N 2.98Å; N98-S101 PolarHBondContact O-N 3.29Å; N98-S101 PolarHBondContact O-OG 3.26Å; N98-F102 PolarHBondContact O-N 3.37Å; N98-N163 WeakPolarHBondContact CB-ND2 3.25Å |
| 99 | N | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 44.1 Ų | 44.1 | 12% | 0.123 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.1 | -45.4 | 176.4 | -169.5 | 40.7 | 0 | 0 | 0 | 111.4 | L7 S9 I15 P95 R96 S101 F102 W103 | L7-N99 PolarHBondContact O-ND2 2.59Å; S9-N99 VanDerWaalsContact O-CB 3.25Å; S9-N99 WeakPolarHBondContact O-CB 3.36Å; S9-N99 PolarHBondContact O-ND2 3.44Å; I15-N99 HydrophobicContact CD1-CB 3.91Å; P95-N99 PolarHBondContact O-N 2.93Å; P95-N99 VanDerWaalsContact O-N 3.1Å; R96-N99 PolarHBondContact O-N 2.9Å; N99-S101 VanDerWaalsContact C-N 3.29Å; N99-S101 PolarHBondContact O-N 2.93Å; N99-F102 PolarHBondContact O-N 2.85Å; N99-W103 VanDerWaalsContact O-CD1 3.23Å; N99-W103 PolarHBondContact O-N 2.7Å; N99-W103 VanDerWaalsContact O-N 3.09Å; N99-W103 PolarHBondContact OD1-NE1 3.49Å |
| 100 | M | 98.4 | Very high | 98.5 | Very high | 104 Ų | 104 | 49.3 Ų | 49.3 | 51% | 0.512 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 175.8 | -177.5 | 177.2 | 177.4 | 0 | 0 | 111.8 | R96 M97 N98 F102 W103 L104 L159 | R96-M100 PolarHBondContact O-N 3.48Å; M97-M100 PolarHBondContact O-N 3.34Å; N98-M100 PolarHBondContact O-N 2.98Å; M100-F102 VanDerWaalsContact C-N 3.28Å; M100-F102 PolarHBondContact O-N 2.88Å; M100-W103 PolarHBondContact O-N 3.23Å; M100-L104 HydrophobicContact CE-CD1 4.39Å; M100-L104 HydrophobicContact CG-CD1 4.36Å; M100-L104 WeakPolarHBondContact O-CG 3.45Å; M100-L104 PolarHBondContact O-N 3.25Å; M100-L159 HydrophobicContact CE-CD1 4.34Å; M100-L159 HydrophobicContact CG-CD1 4.18Å; M100-L159 HydrophobicContact SD-CD1 4.13Å |
| 101 | S | 98.4 | Very high | 98.6 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.9 | -44.1 | 177.6 | 74.7 | 0 | 0 | 0 | 0 | 111.4 | Y19 M97 N98 N99 S156 | Y19-S101 WeakPolarHBondContact OH-CB 3.32Å; Y19-S101 PolarHBondContact OH-OG 2.9Å; M97-S101 PolarHBondContact O-N 3.39Å; N98-S101 PolarHBondContact O-N 3.29Å; N98-S101 PolarHBondContact O-OG 3.26Å; N99-S101 VanDerWaalsContact C-N 3.29Å; N99-S101 PolarHBondContact O-N 2.93Å; S101-S156 WeakPolarHBondContact CB-O 3.39Å; S101-S156 VanDerWaalsContact O-CB 3.23Å; S101-S156 WeakPolarHBondContact O-CB 3.26Å; S101-S156 PolarHBondContact O-OG 2.9Å |
| 102 | F | 98.8 | Very high | 98.6 | Very high | 10 Ų | 10 | 44.8 Ų | 44.8 | 4% | 0.044 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65 | -49.5 | 176.5 | 170.8 | -102.2 | 0 | 0 | 0 | 111.8 | I15 L18 Y19 F22 N98 N99 M100 L104 L105 P106 | I15-F102 HydrophobicContact CG2-CB 4.15Å; L18-F102 VanDerWaalsContact C-CE2 3.47Å; L18-F102 HydrophobicContact CB-CD1 4.12Å; L18-F102 HydrophobicContact CB-CD2 4.03Å; L18-F102 HydrophobicContact CB-CE1 3.79Å; L18-F102 HydrophobicContact CB-CE2 3.68Å; L18-F102 HydrophobicContact CB-CG 4.25Å; L18-F102 HydrophobicContact CB-CZ 3.57Å; L18-F102 HydrophobicContact CD1-CD1 3.98Å; L18-F102 HydrophobicContact CD1-CE1 3.85Å; L18-F102 HydrophobicContact CD1-CZ 4.46Å; L18-F102 HydrophobicContact CG-CE1 4.27Å; L18-F102 HydrophobicContact CG-CZ 4.4Å; L18-F102 WeakPolarHBondContact O-CE2 3.18Å; Y19-F102 AromaticContact CD1-CD2 3.96Å; Y19-F102 HydrophobicContact CD1-CD2 3.96Å; Y19-F102 HydrophobicContact CD2-CB 4.22Å; Y19-F102 HydrophobicContact CD2-CD2 4.05Å; Y19-F102 HydrophobicContact CE1-CB 4.44Å; Y19-F102 HydrophobicContact CE1-CD2 4.17Å; Y19-F102 HydrophobicContact CE2-CB 3.66Å; Y19-F102 HydrophobicContact CE2-CD2 4.24Å; Y19-F102 HydrophobicContact CE2-CG 4.41Å; Y19-F102 AromaticContact CG-CD2 3.91Å; Y19-F102 HydrophobicContact CG-CD2 3.91Å; Y19-F102 WeakPolarHBondContact OH-CA 3.27Å; Y19-F102 PolarHBondContact OH-N 3.13Å; Y19-F102 VanDerWaalsContact OH-N 3.12Å; F22-F102 HydrophobicContact CB-CE2 3.88Å; F22-F102 HydrophobicContact CB-CZ 4.41Å; F22-F102 HydrophobicContact CG-CE2 4.34Å; N98-F102 PolarHBondContact O-N 3.37Å; N99-F102 PolarHBondContact O-N 2.85Å; M100-F102 VanDerWaalsContact C-N 3.28Å; M100-F102 PolarHBondContact O-N 2.88Å; F102-L104 PolarHBondContact O-N 2.87Å; F102-L104 VanDerWaalsContact O-N 3.08Å; F102-L105 WeakPolarHBondContact O-CB 3.37Å; F102-L105 PolarHBondContact O-N 3Å; F102-P106 HydrophobicContact CZ-CG 4.42Å; F102-P106 WeakPolarHBondContact O-CD 3.45Å |
| 103 | W | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 35% | 0.348 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -68.2 | -10.8 | -172.2 | -77.6 | 111.6 | 0 | 0 | 0 | 114.9 | L7 N99 M100 P106 P107 | L7-W103 HydrophobicContact CB-CZ2 4.49Å; L7-W103 HydrophobicContact CD2-CH2 3.4Å; L7-W103 HydrophobicContact CD2-CZ2 3.43Å; L7-W103 VanDerWaalsContact CD2-CZ2 3.43Å; L7-W103 HydrophobicContact CD2-CZ3 4.43Å; L7-W103 PolarHBondContact O-NE1 2.77Å; N99-W103 VanDerWaalsContact O-CD1 3.23Å; N99-W103 PolarHBondContact O-N 2.7Å; N99-W103 VanDerWaalsContact O-N 3.09Å; N99-W103 PolarHBondContact OD1-NE1 3.49Å; M100-W103 PolarHBondContact O-N 3.23Å; W103-P106 HydrophobicContact CE3-CG 4.33Å; W103-P106 HydrophobicContact CZ3-CG 4.5Å; W103-P107 WeakPolarHBondContact O-CD 3.43Å; W103-P107 WeakPolarHBondContact O-CG 3.45Å |
| 104 | L | 98.8 | Very high | 98.6 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 15% | 0.147 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.5 | 169.9 | -67.1 | 169.2 | 0 | 0 | 0 | 113.1 | M100 F102 P107 S108 L152 V155 L159 | M100-L104 HydrophobicContact CE-CD1 4.39Å; M100-L104 HydrophobicContact CG-CD1 4.36Å; M100-L104 WeakPolarHBondContact O-CG 3.45Å; M100-L104 PolarHBondContact O-N 3.25Å; F102-L104 PolarHBondContact O-N 2.87Å; F102-L104 VanDerWaalsContact O-N 3.08Å; L104-P107 WeakPolarHBondContact O-CD 3.44Å; L104-P107 WeakPolarHBondContact O-CG 3.38Å; L104-S108 WeakPolarHBondContact O-CB 3.49Å; L104-S108 PolarHBondContact O-N 2.91Å; L104-L152 HydrophobicContact CD2-CD2 3.79Å; L104-V155 HydrophobicContact CD1-CB 4.22Å; L104-V155 HydrophobicContact CD1-CG1 3.69Å; L104-L159 HydrophobicContact CD1-CD1 4.02Å |
| 105 | L | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -73.1 | -44.4 | -177.7 | -65.7 | -179.3 | 0 | 0 | 0 | 114.3 | Y19 F22 P72 F102 S108 L109 A153 | Y19-L105 HydrophobicContact CD1-CD1 3.88Å; Y19-L105 HydrophobicContact CE1-CD1 3.42Å; Y19-L105 VanDerWaalsContact CE1-CD1 3.42Å; F22-L105 HydrophobicContact CD1-CB 4.46Å; F22-L105 HydrophobicContact CD1-CD1 4.27Å; F22-L105 HydrophobicContact CE1-CB 3.85Å; F22-L105 HydrophobicContact CE1-CD1 4.09Å; F22-L105 HydrophobicContact CE2-CB 4.48Å; F22-L105 HydrophobicContact CZ-CB 3.85Å; P72-L105 HydrophobicContact CB-CD1 4.14Å; P72-L105 HydrophobicContact CG-CD1 3.72Å; F102-L105 WeakPolarHBondContact O-CB 3.37Å; F102-L105 PolarHBondContact O-N 3Å; L105-S108 WeakPolarHBondContact O-CB 3.3Å; L105-S108 PolarHBondContact O-N 2.9Å; L105-L109 PolarHBondContact O-N 3.01Å; L105-A153 HydrophobicContact CD2-CB 4.33Å |
| 106 | P | 98.8 | Very high | 98.4 | Very high | 33 Ų | 33 | 42.8 Ų | 42.8 | 21% | 0.214 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.1 | -50.7 | 175.6 | -25 | 33.9 | 0 | 0 | 0 | 114.4 | F22 F102 W103 S108 L109 L110 | F22-P106 HydrophobicContact CD2-CG 4.38Å; F22-P106 HydrophobicContact CE2-CB 4.49Å; F22-P106 HydrophobicContact CE2-CG 4.25Å; F102-P106 HydrophobicContact CZ-CG 4.42Å; F102-P106 WeakPolarHBondContact O-CD 3.45Å; W103-P106 HydrophobicContact CE3-CG 4.33Å; W103-P106 HydrophobicContact CZ3-CG 4.5Å; P106-S108 VanDerWaalsContact C-N 3.3Å; P106-S108 PolarHBondContact O-N 3.5Å; P106-L109 PolarHBondContact O-N 2.73Å; P106-L110 WeakPolarHBondContact O-CG 3.49Å; P106-L110 PolarHBondContact O-N 3.19Å |
| 107 | P | 98.8 | Very high | 98.3 | Very high | 55 Ų | 55 | 40 Ų | 40 | 36% | 0.357 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.6 | -34.1 | 176.5 | 25.2 | -32.3 | 0 | 0 | 0 | 112.2 | W103 L104 L110 L111 | W103-P107 WeakPolarHBondContact O-CD 3.43Å; W103-P107 WeakPolarHBondContact O-CG 3.45Å; L104-P107 WeakPolarHBondContact O-CD 3.44Å; L104-P107 WeakPolarHBondContact O-CG 3.38Å; P107-L110 PolarHBondContact O-N 3.05Å; P107-L111 WeakPolarHBondContact O-CG 3.34Å; P107-L111 PolarHBondContact O-N 2.92Å |
| 108 | S | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -59.6 | -46.4 | 173.2 | 174.2 | 0 | 0 | 0 | 0 | 112 | F68 L104 L105 P106 L111 L112 S149 A153 | F68-S108 VanDerWaalsContact CE1-OG 3.27Å; F68-S108 WeakPolarHBondContact CE1-OG 3.26Å; F68-S108 WeakPolarHBondContact CZ-OG 3.39Å; L104-S108 WeakPolarHBondContact O-CB 3.49Å; L104-S108 PolarHBondContact O-N 2.91Å; L105-S108 WeakPolarHBondContact O-CB 3.3Å; L105-S108 PolarHBondContact O-N 2.9Å; P106-S108 VanDerWaalsContact C-N 3.3Å; P106-S108 PolarHBondContact O-N 3.5Å; S108-L111 PolarHBondContact O-N 3.3Å; S108-L112 PolarHBondContact O-N 3.06Å; S108-L112 VanDerWaalsContact O-N 3.12Å; S108-S149 VanDerWaalsContact O-CB 3.29Å; S108-S149 WeakPolarHBondContact O-CB 3.3Å; S108-S149 PolarHBondContact O-OG 3.46Å; S108-S149 PolarHBondContact OG-O 2.89Å; S108-S149 PolarHBondContact OG-OG 3.04Å; S108-A153 PolarHBondContact OG-N 3.43Å |
| 109 | L | 98.8 | Very high | 97.9 | Very high | 5 Ų | 5 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -41 | 177 | -178.8 | 55.2 | 0 | 0 | 0 | 111.5 | F22 W25 A26 V64 F68 L105 P106 L111 L112 L113 | F22-L109 HydrophobicContact CE2-CB 4.36Å; F22-L109 HydrophobicContact CE2-CD2 3.76Å; F22-L109 HydrophobicContact CZ-CB 4Å; F22-L109 HydrophobicContact CZ-CD2 3.66Å; F22-L109 HydrophobicContact CZ-CG 4.48Å; W25-L109 HydrophobicContact CE3-CD2 4.17Å; W25-L109 HydrophobicContact CZ3-CD2 3.7Å; A26-L109 HydrophobicContact CB-CD2 4.36Å; V64-L109 HydrophobicContact CG2-CD1 4.18Å; F68-L109 HydrophobicContact CB-CD1 4.29Å; F68-L109 HydrophobicContact CD1-CB 3.73Å; F68-L109 HydrophobicContact CD1-CD1 4.11Å; F68-L109 HydrophobicContact CD1-CG 4.35Å; F68-L109 HydrophobicContact CD2-CD1 4.07Å; F68-L109 HydrophobicContact CE1-CB 3.71Å; F68-L109 HydrophobicContact CE1-CD1 4.46Å; F68-L109 HydrophobicContact CE2-CD1 4.45Å; F68-L109 HydrophobicContact CG-CB 4.37Å; F68-L109 HydrophobicContact CG-CD1 3.87Å; F68-L109 HydrophobicContact CZ-CB 4.37Å; L105-L109 PolarHBondContact O-N 3.01Å; P106-L109 PolarHBondContact O-N 2.73Å; L109-L111 VanDerWaalsContact C-N 3.29Å; L109-L111 PolarHBondContact O-N 3.19Å; L109-L112 HydrophobicContact CD1-CD2 4.38Å; L109-L112 WeakPolarHBondContact O-CB 3.23Å; L109-L112 PolarHBondContact O-N 2.85Å; L109-L112 VanDerWaalsContact O-N 3.12Å; L109-L113 HydrophobicContact CD1-CD1 4.42Å; L109-L113 HydrophobicContact CD1-CD2 4.42Å; L109-L113 HydrophobicContact CD1-CG 4.18Å; L109-L113 HydrophobicContact CG-CD1 4.28Å; L109-L113 HydrophobicContact CG-CG 4.43Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 3.4Å |
| 110 | L | 98.6 | Very high | 97.7 | Very high | 119 Ų | 119 | 47.6 Ų | 47.6 | 62% | 0.623 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -60.1 | -39 | 176 | -70.2 | 174.5 | 0 | 0 | 0 | 112.1 | P106 P107 L113 A114 | P106-L110 WeakPolarHBondContact O-CG 3.49Å; P106-L110 PolarHBondContact O-N 3.19Å; P107-L110 PolarHBondContact O-N 3.05Å; L110-L113 PolarHBondContact O-N 2.97Å; L110-A114 VanDerWaalsContact O-CB 3.24Å; L110-A114 WeakPolarHBondContact O-CB 3.13Å; L110-A114 PolarHBondContact O-N 3.12Å |
| 111 | L | 98.8 | Very high | 97.6 | Very high | 45 Ų | 45 | 42.6 Ų | 42.6 | 24% | 0.236 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -39.6 | 173.9 | -71.3 | 167.8 | 0 | 0 | 0 | 112.2 | P107 S108 L109 A114 S115 L145 F148 L152 | P107-L111 WeakPolarHBondContact O-CG 3.34Å; P107-L111 PolarHBondContact O-N 2.92Å; S108-L111 PolarHBondContact O-N 3.3Å; L109-L111 VanDerWaalsContact C-N 3.29Å; L109-L111 PolarHBondContact O-N 3.19Å; L111-A114 PolarHBondContact O-N 2.81Å; L111-S115 WeakPolarHBondContact O-CB 3.25Å; L111-S115 PolarHBondContact O-N 3.21Å; L111-L145 HydrophobicContact CD2-CD2 3.77Å; L111-F148 HydrophobicContact CD1-CB 4.06Å; L111-L152 HydrophobicContact CD1-CD1 3.2Å |
| 112 | L | 98.7 | Very high | 97.6 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.9 | -43.8 | 175.6 | -178 | 67 | 0 | 0 | 0 | 111.7 | F63 V64 F68 S108 L109 S115 A116 T146 S149 | F63-L112 HydrophobicContact CB-CD1 4.05Å; F63-L112 HydrophobicContact CB-CD2 3.63Å; F63-L112 HydrophobicContact CD2-CD1 3.92Å; F63-L112 HydrophobicContact CG-CD1 4.28Å; V64-L112 HydrophobicContact CG2-CD2 3.78Å; F68-L112 HydrophobicContact CD2-CD2 4Å; F68-L112 HydrophobicContact CE2-CB 4.49Å; F68-L112 HydrophobicContact CE2-CD2 3.64Å; S108-L112 PolarHBondContact O-N 3.06Å; S108-L112 VanDerWaalsContact O-N 3.12Å; L109-L112 HydrophobicContact CD1-CD2 4.38Å; L109-L112 WeakPolarHBondContact O-CB 3.23Å; L109-L112 PolarHBondContact O-N 2.85Å; L109-L112 VanDerWaalsContact O-N 3.12Å; L112-S115 VanDerWaalsContact O-CB 3.25Å; L112-S115 WeakPolarHBondContact O-CB 3.24Å; L112-S115 PolarHBondContact O-N 3.48Å; L112-A116 PolarHBondContact O-N 3.03Å; L112-T146 HydrophobicContact CD1-CG2 4.37Å; L112-S149 WeakPolarHBondContact CB-OG 3.39Å |
| 113 | L | 98.2 | Very high | 97.5 | Very high | 42 Ų | 42 | 42.5 Ų | 42.5 | 22% | 0.22 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.2 | -37.6 | 179 | -60.3 | -178.8 | 0 | 0 | 0 | 111.6 | L29 L109 L110 S115 A116 M117 | L29-L113 HydrophobicContact CD2-CD1 3.92Å; L29-L113 HydrophobicContact CD2-CD2 3.78Å; L29-L113 HydrophobicContact CD2-CG 4.45Å; L109-L113 HydrophobicContact CD1-CD1 4.42Å; L109-L113 HydrophobicContact CD1-CD2 4.42Å; L109-L113 HydrophobicContact CD1-CG 4.18Å; L109-L113 HydrophobicContact CG-CD1 4.28Å; L109-L113 HydrophobicContact CG-CG 4.43Å; L109-L113 WeakPolarHBondContact O-CG 3.44Å; L109-L113 PolarHBondContact O-N 3.4Å; L110-L113 PolarHBondContact O-N 2.97Å; L113-S115 VanDerWaalsContact C-N 3.32Å; L113-A116 PolarHBondContact O-N 3.28Å; L113-M117 WeakPolarHBondContact O-CE 3.37Å; L113-M117 WeakPolarHBondContact O-CG 3.47Å; L113-M117 PolarHBondContact O-N 3.39Å |
| 114 | A | 98.3 | Very high | 97.5 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 24% | 0.24 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L110 L111 A116 M117 V118 L145 | L110-A114 VanDerWaalsContact O-CB 3.24Å; L110-A114 WeakPolarHBondContact O-CB 3.13Å; L110-A114 PolarHBondContact O-N 3.12Å; L111-A114 PolarHBondContact O-N 2.81Å; A114-A116 PolarHBondContact O-N 2.86Å; A114-M117 PolarHBondContact O-N 3.39Å; A114-V118 WeakPolarHBondContact O-CB 3.11Å; A114-V118 VanDerWaalsContact O-CG2 3.3Å; A114-V118 WeakPolarHBondContact O-CG2 3.25Å; A114-V118 PolarHBondContact O-N 3.32Å; A114-L145 HydrophobicContact CB-CD1 4.26Å |
| 115 | S | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -51.4 | -44.2 | 173 | 144 | 0 | 0 | 0 | 0 | 111.8 | L111 L112 L113 M117 G121 S142 T146 | L111-S115 WeakPolarHBondContact O-CB 3.25Å; L111-S115 PolarHBondContact O-N 3.21Å; L112-S115 VanDerWaalsContact O-CB 3.25Å; L112-S115 WeakPolarHBondContact O-CB 3.24Å; L112-S115 PolarHBondContact O-N 3.48Å; L113-S115 VanDerWaalsContact C-N 3.32Å; S115-M117 VanDerWaalsContact C-N 3.27Å; S115-M117 PolarHBondContact O-N 2.96Å; S115-G121 VanDerWaalsContact O-CA 3.3Å; S115-G121 WeakPolarHBondContact O-CA 3.39Å; S115-S142 VanDerWaalsContact CB-O 3.26Å; S115-S142 WeakPolarHBondContact CB-O 3.34Å; S115-S142 WeakPolarHBondContact O-CB 3.44Å; S115-S142 PolarHBondContact OG-O 3.43Å; S115-S142 VanDerWaalsContact OG-O 3.09Å; S115-T146 WeakPolarHBondContact CB-OG1 3.23Å; S115-T146 PolarHBondContact OG-OG1 3.26Å |
| 116 | A | 95.2 | Very high | 97.4 | Very high | 37 Ų | 37 | 40.9 Ų | 40.9 | 31% | 0.306 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.8 | -18.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V56 L112 L113 A114 | V56-A116 HydrophobicContact CG1-CB 3.83Å; L112-A116 PolarHBondContact O-N 3.03Å; L113-A116 PolarHBondContact O-N 3.28Å; A114-A116 PolarHBondContact O-N 2.86Å |
| 117 | M | 94.8 | Very high | 97.4 | Very high | 149 Ų | 149 | 40.2 Ų | 40.2 | 73% | 0.734 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -104.9 | -17.2 | -177.8 | -64.5 | -174.3 | -68.7 | 0 | 0 | 113.7 | L113 A114 S115 | L113-M117 WeakPolarHBondContact O-CE 3.37Å; L113-M117 WeakPolarHBondContact O-CG 3.47Å; L113-M117 PolarHBondContact O-N 3.39Å; A114-M117 PolarHBondContact O-N 3.39Å; S115-M117 VanDerWaalsContact C-N 3.27Å; S115-M117 PolarHBondContact O-N 2.96Å |
| 118 | V | 95.6 | Very high | 97.3 | Very high | 52 Ų | 52 | 37.7 Ų | 37.7 | 32% | 0.315 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -86 | 128.8 | -180 | 169.3 | 0 | 0 | 0 | 0 | 109.6 | A114 A120 G121 A141 L145 | A114-V118 WeakPolarHBondContact O-CB 3.11Å; A114-V118 VanDerWaalsContact O-CG2 3.3Å; A114-V118 WeakPolarHBondContact O-CG2 3.25Å; A114-V118 PolarHBondContact O-N 3.32Å; V118-A120 PolarHBondContact O-N 3.06Å; V118-G121 PolarHBondContact O-N 3.43Å; V118-A141 HydrophobicContact CG1-CB 4.36Å; V118-L145 HydrophobicContact CB-CD1 4.19Å; V118-L145 HydrophobicContact CG1-CD1 4.49Å; V118-L145 HydrophobicContact CG2-CD1 3.94Å |
| 119 | E | 94.1 | Very high | 97.3 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 59% | 0.589 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -119.1 | -179.6 | -58.4 | 161.6 | -175.6 | 0 | 0 | 112 | G140 A141 | E119-G140 VanDerWaalsContact CD-CA 3.43Å; E119-G140 VanDerWaalsContact OE1-CA 3.26Å; E119-G140 WeakPolarHBondContact OE1-CA 3.37Å; E119-G140 WeakPolarHBondContact OE2-CA 3.37Å; E119-G140 PolarHBondContact OE2-N 3.26Å; E119-A141 PolarHBondContact OE1-N 2.87Å; E119-A141 PolarHBondContact OE2-N 3.4Å |
| 120 | A | 94 | Very high | 97.3 | Very high | 63 Ų | 63 | 40.5 Ų | 40.5 | 52% | 0.521 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -7.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | H52 V56 V118 | H52-A120 PolarHBondContact CD2-O 2.83Å; H52-A120 PolarHBondContact NE2-O 3.24Å; V56-A120 WeakPolarHBondContact CG2-O 2.97Å; V118-A120 PolarHBondContact O-N 3.06Å |
| 121 | G | 97.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | trans | 77.6 | 161 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H52 S115 V118 G123 S142 | H52-G121 PolarHBondContact NE2-O 2.72Å; S115-G121 VanDerWaalsContact O-CA 3.3Å; S115-G121 WeakPolarHBondContact O-CA 3.39Å; V118-G121 PolarHBondContact O-N 3.43Å; G121-G123 PolarHBondContact O-N 3.22Å; G121-G123 VanDerWaalsContact O-N 3.16Å; G121-S142 VanDerWaalsContact C-CB 3.47Å; G121-S142 PolarHBondContact O-OG 2.99Å | ||
| 122 | A | 97.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 40.8 Ų | 40.8 | 2% | 0.017 | 24% | 0.236 | C | C | . | . | trans | -80.5 | 93 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T59 T124 V143 T146 | T59-A122 VanDerWaalsContact CB-O 3.32Å; T59-A122 WeakPolarHBondContact CB-O 3.49Å; T59-A122 WeakPolarHBondContact CG2-O 3.35Å; T59-A122 PolarHBondContact OG1-O 3.23Å; A122-T124 PolarHBondContact O-N 3.44Å; A122-V143 HydrophobicContact CB-CG2 4.21Å; A122-T146 WeakPolarHBondContact CB-OG1 3.12Å | ||
| 123 | G | 97.6 | Very high | 97.1 | Very high | 5 Ų | 5 | 40.7 Ų | 40.7 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | trans | -95.9 | 36.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | G121 H138 | G121-G123 PolarHBondContact O-N 3.22Å; G121-G123 VanDerWaalsContact O-N 3.16Å; G123-H138 PolarHBondContact N-NE2 3.09Å | ||
| 124 | T | 97.8 | Very high | 97 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 5% | 0.049 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -94 | -4.2 | -169.4 | 56 | 0 | 0 | 0 | 0 | 114.1 | A122 A133 V143 | A122-T124 PolarHBondContact O-N 3.44Å; T124-A133 HydrophobicContact CG2-CB 3.8Å; T124-V143 HydrophobicContact CG2-CG2 3.94Å |
| 125 | G | 97.8 | Very high | 96.9 | Very high | 22 Ų | 22 | 41.1 Ų | 41.1 | 23% | 0.227 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 162.7 | -164.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T59 T127 V128 | T59-G125 VanDerWaalsContact OG1-CA 3.25Å; T59-G125 WeakPolarHBondContact OG1-CA 3.48Å; T59-G125 PolarHBondContact OG1-N 3.1Å; G125-T127 PolarHBondContact O-N 3.04Å; G125-T127 VanDerWaalsContact O-N 3.1Å; G125-V128 PolarHBondContact O-N 2.99Å; G125-V128 VanDerWaalsContact O-N 3.08Å |
| 126 | W | 97.8 | Very high | 96.6 | Very high | 61 Ų | 61 | 51.1 Ų | 51.1 | 23% | 0.231 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -17.1 | -177.5 | 84.8 | -77.1 | 0 | 0 | 0 | 113.9 | A62 F63 I66 F235 W236 | A62-W126 HydrophobicContact CB-CB 3.53Å; A62-W126 HydrophobicContact CB-CG 4.15Å; F63-W126 HydrophobicContact CE1-CB 4.26Å; F63-W126 VanDerWaalsContact CE1-O 3.3Å; F63-W126 WeakPolarHBondContact CE1-O 3.47Å; F63-W126 HydrophobicContact CZ-CB 4.28Å; F63-W126 WeakPolarHBondContact CZ-O 3.32Å; I66-W126 HydrophobicContact CD1-CD2 4.37Å; I66-W126 HydrophobicContact CD1-CE3 3.86Å; I66-W126 HydrophobicContact CD1-CZ3 3.98Å; W126-F235 HydrophobicContact CD2-CZ 4.19Å; W126-F235 HydrophobicContact CE3-CE1 4.48Å; W126-F235 AromaticContact CE3-CZ 3.73Å; W126-F235 HydrophobicContact CE3-CZ 3.73Å; W126-F235 AromaticContact CH2-CE1 3.83Å; W126-F235 HydrophobicContact CH2-CE1 3.83Å; W126-F235 AromaticContact CH2-CZ 3.83Å; W126-F235 HydrophobicContact CH2-CZ 3.83Å; W126-F235 HydrophobicContact CZ2-CE1 4.07Å; W126-F235 HydrophobicContact CZ2-CZ 4.26Å; W126-F235 HydrophobicContact CZ3-CE1 4.06Å; W126-F235 AromaticContact CZ3-CZ 3.54Å; W126-F235 HydrophobicContact CZ3-CZ 3.54Å; W126-W236 HydrophobicContact CH2-CH2 4.45Å; W126-W236 HydrophobicContact CH2-CZ3 4.09Å; W126-W236 AromaticContact CZ2-CH2 3.71Å; W126-W236 HydrophobicContact CZ2-CH2 3.71Å; W126-W236 AromaticContact CZ2-CZ3 3.77Å; W126-W236 HydrophobicContact CZ2-CZ3 3.77Å |
| 127 | T | 97.9 | Very high | 96.6 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -22.3 | 176.9 | 62.6 | 0 | 0 | 0 | 0 | 113 | G125 Y129 Y231 F235 W236 | G125-T127 PolarHBondContact O-N 3.04Å; G125-T127 VanDerWaalsContact O-N 3.1Å; T127-Y129 VanDerWaalsContact C-N 3.35Å; T127-Y129 VanDerWaalsContact CB-CE1 3.46Å; T127-Y129 HydrophobicContact CG2-CE1 4.23Å; T127-Y129 PolarHBondContact O-N 2.69Å; T127-Y231 WeakPolarHBondContact O-CE1 3.37Å; T127-Y231 PolarHBondContact O-OH 3.19Å; T127-F235 HydrophobicContact CG2-CD1 4.28Å; T127-F235 HydrophobicContact CG2-CE1 3.68Å; T127-F235 HydrophobicContact CG2-CZ 4.06Å; T127-F235 WeakPolarHBondContact O-CD2 3.39Å; T127-W236 HydrophobicContact CG2-CH2 4.19Å; T127-W236 HydrophobicContact CG2-CZ2 4Å |
| 128 | V | 98.2 | Very high | 96.8 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.012 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.5 | 45.2 | 176.1 | -160.3 | 0 | 0 | 0 | 0 | 112.4 | F63 G125 A133 V143 L209 Y231 | F63-V128 HydrophobicContact CE2-CG2 4.16Å; F63-V128 HydrophobicContact CZ-CG2 3.61Å; G125-V128 PolarHBondContact O-N 2.99Å; G125-V128 VanDerWaalsContact O-N 3.08Å; V128-A133 HydrophobicContact CG1-CB 3.61Å; V128-A133 WeakPolarHBondContact O-CB 3.42Å; V128-V143 HydrophobicContact CG1-CG1 4.08Å; V128-L209 HydrophobicContact CG1-CD2 3.8Å; V128-Y231 PolarHBondContact O-OH 2.74Å |
| 129 | Y | 98.4 | Very high | 96.7 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | trans | -69 | 130.7 | -176.1 | -71.5 | -17.2 | 0 | 0 | 0 | 113.5 | T127 L132 A133 Y231 Q232 F235 W236 | T127-Y129 VanDerWaalsContact C-N 3.35Å; T127-Y129 VanDerWaalsContact CB-CE1 3.46Å; T127-Y129 HydrophobicContact CG2-CE1 4.23Å; T127-Y129 PolarHBondContact O-N 2.69Å; Y129-L132 WeakPolarHBondContact O-CB 3.31Å; Y129-L132 PolarHBondContact O-N 2.79Å; Y129-A133 WeakPolarHBondContact O-CB 3.32Å; Y129-A133 PolarHBondContact O-N 2.89Å; Y129-Y231 AromaticContact CD1-CD1 3.6Å; Y129-Y231 HydrophobicContact CD1-CD1 3.6Å; Y129-Y231 AromaticContact CD1-CE1 3.63Å; Y129-Y231 HydrophobicContact CD1-CE1 3.63Å; Y129-Y231 HydrophobicContact CE1-CD1 4.13Å; Y129-Y231 HydrophobicContact CE1-CE1 4.15Å; Y129-Q232 HydrophobicContact CD1-CG 4.18Å; Y129-Q232 HydrophobicContact CD2-CG 4.49Å; Y129-Q232 HydrophobicContact CE1-CB 4.4Å; Y129-Q232 HydrophobicContact CE1-CG 3.79Å; Y129-Q232 HydrophobicContact CE2-CG 4.14Å; Y129-F235 HydrophobicContact CE1-CD1 4.45Å; Y129-W236 AromaticContact CZ-NE1 3.94Å; Y129-W236 WeakPolarHBondContact OH-CZ2 3.11Å; Y129-W236 PolarHBondContact OH-NE1 3.11Å | ||
| 130 | P | 97.4 | Very high | 96.7 | Very high | 12 Ų | 12 | 43.1 Ų | 43.1 | 8% | 0.078 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 153.2 | 157 | 29.6 | -31.1 | 0 | 0 | 0 | 110.2 | L132 L209 F220 Y231 | P130-L132 VanDerWaalsContact C-N 3.35Å; P130-L209 HydrophobicContact CB-CD1 4.12Å; P130-L209 HydrophobicContact CG-CD1 4.4Å; P130-F220 HydrophobicContact CB-CB 3.89Å; P130-F220 HydrophobicContact CG-CB 3.56Å; P130-F220 HydrophobicContact CG-CD2 4Å; P130-F220 HydrophobicContact CG-CG 3.82Å; P130-Y231 HydrophobicContact CG-CD1 4.41Å; P130-Y231 HydrophobicContact CG-CD2 4.15Å; P130-Y231 HydrophobicContact CG-CG 3.82Å |
| 131 | P | 97.1 | Very high | 96.9 | Very high | 90 Ų | 90 | 41.9 Ų | 41.9 | 58% | 0.584 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -80.3 | -7.7 | 1.5 | 33.4 | -36.2 | 0 | 0 | 0 | 114 | A133 G134 | P131-A133 VanDerWaalsContact C-N 3.28Å; P131-A133 PolarHBondContact O-N 3.17Å; P131-G134 WeakPolarHBondContact O-CA 3.5Å; P131-G134 PolarHBondContact O-N 3.4Å |
| 132 | L | 98.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 42 Ų | 42 | 42% | 0.419 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -39.4 | -178.8 | -179.8 | 65.5 | 0 | 0 | 0 | 111.8 | Y129 P130 G134 S137 H138 | Y129-L132 WeakPolarHBondContact O-CB 3.31Å; Y129-L132 PolarHBondContact O-N 2.79Å; P130-L132 VanDerWaalsContact C-N 3.35Å; L132-G134 PolarHBondContact O-N 3.44Å; L132-S137 WeakPolarHBondContact O-CB 3.1Å; L132-H138 PolarHBondContact O-ND1 2.98Å |
| 133 | A | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 0.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T124 V128 Y129 P131 V143 L209 R213 | T124-A133 HydrophobicContact CG2-CB 3.8Å; V128-A133 HydrophobicContact CG1-CB 3.61Å; V128-A133 WeakPolarHBondContact O-CB 3.42Å; Y129-A133 WeakPolarHBondContact O-CB 3.32Å; Y129-A133 PolarHBondContact O-N 2.89Å; P131-A133 VanDerWaalsContact C-N 3.28Å; P131-A133 PolarHBondContact O-N 3.17Å; A133-V143 HydrophobicContact CB-CG1 4.34Å; A133-L209 HydrophobicContact CB-CD1 4.43Å; A133-L209 HydrophobicContact CB-CD2 3.9Å; A133-R213 WeakPolarHBondContact O-CD 3.29Å; A133-R213 PolarHBondContact O-NH1 3.31Å |
| 134 | G | 96.7 | Very high | 97 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 16% | 0.155 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -84.4 | 170.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | P131 L132 Y136 S137 H138 | P131-G134 WeakPolarHBondContact O-CA 3.5Å; P131-G134 PolarHBondContact O-N 3.4Å; L132-G134 PolarHBondContact O-N 3.44Å; G134-Y136 VanDerWaalsContact C-N 3.27Å; G134-Y136 PolarHBondContact O-N 3.03Å; G134-S137 PolarHBondContact O-N 2.67Å; G134-S137 VanDerWaalsContact O-N 3.15Å; G134-H138 PolarHBondContact O-N 3.32Å |
| 135 | N | 94.8 | Very high | 97.1 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.353 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24.8 | -175.4 | -77.4 | -13.8 | 0 | 0 | 0 | 114.8 | S137 P139 R213 | N135-S137 PolarHBondContact O-N 2.97Å; N135-P139 VanDerWaalsContact O-CA 3.23Å; N135-P139 WeakPolarHBondContact O-CA 3.21Å; N135-P139 WeakPolarHBondContact O-CB 3.34Å; N135-R213 PolarHBondContact ND2-O 3.29Å; N135-R213 VanDerWaalsContact OD1-CZ 3.29Å; N135-R213 PolarHBondContact OD1-NH1 3Å; N135-R213 PolarHBondContact OD1-NH2 3.35Å |
| 136 | Y | 92.8 | Very high | 97.1 | Very high | 213 Ų | 213 | 42.8 Ų | 42.8 | 84% | 0.835 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -30.3 | 175.8 | -72 | -72.4 | 0 | 0 | 0 | 112.7 | G134 | G134-Y136 VanDerWaalsContact C-N 3.27Å; G134-Y136 PolarHBondContact O-N 3.03Å |
| 137 | S | 95.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 40 Ų | 40 | 46% | 0.455 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -36.6 | -178 | -65.6 | 0 | 0 | 0 | 0 | 113 | L132 G134 N135 | L132-S137 WeakPolarHBondContact O-CB 3.1Å; G134-S137 PolarHBondContact O-N 2.67Å; G134-S137 VanDerWaalsContact O-N 3.15Å; N135-S137 PolarHBondContact O-N 2.97Å |
| 138 | H | 97.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.056 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -127.2 | 82 | 176.9 | -73 | 78.4 | 0 | 0 | 0 | 109.6 | H52 G123 L132 G134 G140 V143 R213 | H52-H138 AromaticContact CE1-NE2 3.46Å; H52-H138 PolarHBondContact CE1-NE2 3.38Å; G123-H138 PolarHBondContact N-NE2 3.09Å; L132-H138 PolarHBondContact O-ND1 2.98Å; G134-H138 PolarHBondContact O-N 3.32Å; H138-G140 PolarHBondContact O-N 2.84Å; H138-V143 HydrophobicContact CB-CG2 3.7Å; H138-R213 PolarHBondContact O-NH1 3.35Å; H138-R213 PolarHBondContact O-NH2 3.45Å; H138-R213 VanDerWaalsContact O-NH2 3.1Å |
| 139 | P | 93.5 | Very high | 97.2 | Very high | 104 Ų | 104 | 43.5 Ų | 43.5 | 68% | 0.675 | 24% | 0.238 | S | C | * | . | trans | -73.3 | -14.2 | -165.6 | 25.7 | -35 | 0 | 0 | 0 | 116.5 | N135 | N135-P139 VanDerWaalsContact O-CA 3.23Å; N135-P139 WeakPolarHBondContact O-CA 3.21Å; N135-P139 WeakPolarHBondContact O-CB 3.34Å | ||
| 140 | G | 95.1 | Very high | 97.3 | Very high | 14 Ų | 14 | 41.3 Ų | 41.3 | 14% | 0.144 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -126.7 | -164 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | E119 H138 S142 R213 | E119-G140 VanDerWaalsContact CD-CA 3.43Å; E119-G140 VanDerWaalsContact OE1-CA 3.26Å; E119-G140 WeakPolarHBondContact OE1-CA 3.37Å; E119-G140 WeakPolarHBondContact OE2-CA 3.37Å; E119-G140 PolarHBondContact OE2-N 3.26Å; H138-G140 PolarHBondContact O-N 2.84Å; G140-S142 VanDerWaalsContact C-N 3.25Å; G140-S142 PolarHBondContact O-N 3.45Å; G140-S142 VanDerWaalsContact O-N 3.09Å; G140-R213 PolarHBondContact O-NH2 3.37Å |
| 141 | A | 97.6 | Very high | 97.3 | Very high | 37 Ų | 37 | 43 Ų | 43 | 31% | 0.306 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -6.6 | -151.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V118 E119 V143 D144 L145 | V118-A141 HydrophobicContact CG1-CB 4.36Å; E119-A141 PolarHBondContact OE1-N 2.87Å; E119-A141 PolarHBondContact OE2-N 3.4Å; A141-V143 PolarHBondContact O-N 3.11Å; A141-D144 PolarHBondContact O-N 2.91Å; A141-D144 VanDerWaalsContact O-N 3.16Å; A141-L145 WeakPolarHBondContact O-CG 3.37Å; A141-L145 PolarHBondContact O-N 2.91Å |
| 142 | S | 98.2 | Very high | 97.4 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -44.8 | -176.3 | 58 | 0 | 0 | 0 | 0 | 113.1 | S115 G121 G140 D144 L145 T146 | S115-S142 VanDerWaalsContact CB-O 3.26Å; S115-S142 WeakPolarHBondContact CB-O 3.34Å; S115-S142 WeakPolarHBondContact O-CB 3.44Å; S115-S142 PolarHBondContact OG-O 3.43Å; S115-S142 VanDerWaalsContact OG-O 3.09Å; G121-S142 VanDerWaalsContact C-CB 3.47Å; G121-S142 PolarHBondContact O-OG 2.99Å; G140-S142 VanDerWaalsContact C-N 3.25Å; G140-S142 PolarHBondContact O-N 3.45Å; G140-S142 VanDerWaalsContact O-N 3.09Å; S142-D144 VanDerWaalsContact C-N 3.35Å; S142-L145 PolarHBondContact O-N 3.42Å; S142-T146 PolarHBondContact O-N 2.94Å; S142-T146 VanDerWaalsContact O-N 3.11Å; S142-T146 PolarHBondContact O-OG1 2.83Å |
| 143 | V | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.5 | -36.1 | 177 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | A122 T124 V128 A133 H138 A141 T146 I147 | A122-V143 HydrophobicContact CB-CG2 4.21Å; T124-V143 HydrophobicContact CG2-CG2 3.94Å; V128-V143 HydrophobicContact CG1-CG1 4.08Å; A133-V143 HydrophobicContact CB-CG1 4.34Å; H138-V143 HydrophobicContact CB-CG2 3.7Å; A141-V143 PolarHBondContact O-N 3.11Å; V143-T146 WeakPolarHBondContact O-CB 3.13Å; V143-T146 PolarHBondContact O-N 3.45Å; V143-I147 HydrophobicContact CG1-CD1 4.1Å; V143-I147 WeakPolarHBondContact O-CG1 3.27Å; V143-I147 PolarHBondContact O-N 3.23Å |
| 144 | D | 98.6 | Very high | 97.5 | Very high | 17 Ų | 17 | 37.7 Ų | 37.7 | 9% | 0.091 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 178.6 | -53 | -42 | 0 | 0 | 0 | 111.1 | A141 S142 T146 I147 F148 L210 R213 N214 | A141-D144 PolarHBondContact O-N 2.91Å; A141-D144 VanDerWaalsContact O-N 3.16Å; S142-D144 VanDerWaalsContact C-N 3.35Å; D144-T146 VanDerWaalsContact C-N 3.35Å; D144-T146 PolarHBondContact O-N 3.04Å; D144-I147 WeakPolarHBondContact O-CB 3.39Å; D144-I147 PolarHBondContact O-N 2.86Å; D144-I147 VanDerWaalsContact O-N 3.16Å; D144-F148 HydrophobicContact CB-CE2 4.4Å; D144-F148 WeakPolarHBondContact O-CD2 3.29Å; D144-F148 PolarHBondContact O-N 3.49Å; D144-L210 HydrophobicContact CB-CD1 3.87Å; D144-L210 WeakPolarHBondContact OD1-CD1 3.23Å; D144-R213 IonicContact OD1-CZ 3.35Å; D144-R213 IonicContact OD1-NE 3.62Å; D144-R213 PolarHBondContact OD1-NE 3.43Å; D144-R213 IonicContact OD1-NH2 3.39Å; D144-R213 IonicContact OD2-NH2 3.01Å; D144-N214 PolarHBondContact OD1-ND2 3.38Å |
| 145 | L | 98.8 | Very high | 97.6 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.8 | -38.9 | 173.7 | -70.2 | 175.7 | 0 | 0 | 0 | 112.1 | L111 A114 V118 A141 S142 F148 S149 | L111-L145 HydrophobicContact CD2-CD2 3.77Å; A114-L145 HydrophobicContact CB-CD1 4.26Å; V118-L145 HydrophobicContact CB-CD1 4.19Å; V118-L145 HydrophobicContact CG1-CD1 4.49Å; V118-L145 HydrophobicContact CG2-CD1 3.94Å; A141-L145 WeakPolarHBondContact O-CG 3.37Å; A141-L145 PolarHBondContact O-N 2.91Å; S142-L145 PolarHBondContact O-N 3.42Å; L145-F148 PolarHBondContact O-N 2.92Å; L145-S149 WeakPolarHBondContact O-CB 3.37Å; L145-S149 PolarHBondContact O-N 3.39Å |
| 146 | T | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.006 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.2 | -44.9 | 171.1 | -65.9 | 0 | 0 | 0 | 0 | 111.1 | F63 L112 S115 A122 S142 V143 D144 F148 S149 L150 | F63-T146 HydrophobicContact CD2-CG2 4.19Å; F63-T146 HydrophobicContact CE2-CG2 3.62Å; F63-T146 HydrophobicContact CZ-CG2 4.1Å; L112-T146 HydrophobicContact CD1-CG2 4.37Å; S115-T146 WeakPolarHBondContact CB-OG1 3.23Å; S115-T146 PolarHBondContact OG-OG1 3.26Å; A122-T146 WeakPolarHBondContact CB-OG1 3.12Å; S142-T146 PolarHBondContact O-N 2.94Å; S142-T146 VanDerWaalsContact O-N 3.11Å; S142-T146 PolarHBondContact O-OG1 2.83Å; V143-T146 WeakPolarHBondContact O-CB 3.13Å; V143-T146 PolarHBondContact O-N 3.45Å; D144-T146 VanDerWaalsContact C-N 3.35Å; D144-T146 PolarHBondContact O-N 3.04Å; T146-F148 PolarHBondContact O-N 3.46Å; T146-S149 WeakPolarHBondContact O-CB 3.35Å; T146-S149 PolarHBondContact O-N 3.16Å; T146-L150 HydrophobicContact CG2-CD1 4.29Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 3.39Å |
| 147 | I | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -45.1 | 177.4 | -69.3 | 167.7 | 0 | 0 | 0 | 110.8 | V143 D144 S149 L150 H151 I206 L209 L210 | V143-I147 HydrophobicContact CG1-CD1 4.1Å; V143-I147 WeakPolarHBondContact O-CG1 3.27Å; V143-I147 PolarHBondContact O-N 3.23Å; D144-I147 WeakPolarHBondContact O-CB 3.39Å; D144-I147 PolarHBondContact O-N 2.86Å; D144-I147 VanDerWaalsContact O-N 3.16Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3.3Å; I147-L150 PolarHBondContact O-N 3.48Å; I147-H151 WeakPolarHBondContact CG2-CE1 3.4Å; I147-H151 WeakPolarHBondContact CG2-ND1 3.26Å; I147-H151 PolarHBondContact O-N 3Å; I147-H151 PolarHBondContact O-ND1 2.9Å; I147-I206 HydrophobicContact CG1-CB 4.36Å; I147-I206 HydrophobicContact CG2-CB 4.08Å; I147-I206 HydrophobicContact CG2-CD1 4.23Å; I147-I206 HydrophobicContact CG2-CG1 4.18Å; I147-L209 HydrophobicContact CD1-CB 4.48Å; I147-L209 HydrophobicContact CD1-CD2 4.13Å; I147-L209 HydrophobicContact CD1-CG 4.19Å; I147-L210 HydrophobicContact CB-CD1 4.47Å; I147-L210 HydrophobicContact CD1-CB 4.13Å; I147-L210 HydrophobicContact CD1-CD1 4.12Å; I147-L210 HydrophobicContact CG2-CB 4.19Å; I147-L210 HydrophobicContact CG2-CD1 4.33Å; I147-L210 HydrophobicContact CG2-CD2 4.31Å |
| 148 | F | 98.9 | Very high | 98.2 | Very high | 95 Ų | 95 | 27 Ų | 27 | 42% | 0.417 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63.6 | -40 | 176.5 | -70.1 | -53.1 | 0 | 0 | 0 | 112.4 | L111 D144 L145 T146 L150 H151 L152 L210 | L111-F148 HydrophobicContact CD1-CB 4.06Å; D144-F148 HydrophobicContact CB-CE2 4.4Å; D144-F148 WeakPolarHBondContact O-CD2 3.29Å; D144-F148 PolarHBondContact O-N 3.49Å; L145-F148 PolarHBondContact O-N 2.92Å; T146-F148 PolarHBondContact O-N 3.46Å; F148-L150 PolarHBondContact O-N 3.26Å; F148-H151 PolarHBondContact O-N 3.34Å; F148-L152 WeakPolarHBondContact O-CD1 3.44Å; F148-L152 PolarHBondContact O-N 3.29Å; F148-L210 HydrophobicContact CE1-CD2 3.84Å; F148-L210 HydrophobicContact CZ-CD1 4.49Å; F148-L210 HydrophobicContact CZ-CD2 3.93Å |
| 149 | S | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -54.9 | -52.2 | 173 | 178.1 | 0 | 0 | 0 | 0 | 111.1 | F68 S108 L112 L145 T146 I147 H151 L152 A153 | F68-S149 WeakPolarHBondContact CZ-OG 3.19Å; S108-S149 VanDerWaalsContact O-CB 3.29Å; S108-S149 WeakPolarHBondContact O-CB 3.3Å; S108-S149 PolarHBondContact O-OG 3.46Å; S108-S149 PolarHBondContact OG-O 2.89Å; S108-S149 PolarHBondContact OG-OG 3.04Å; L112-S149 WeakPolarHBondContact CB-OG 3.39Å; L145-S149 WeakPolarHBondContact O-CB 3.37Å; L145-S149 PolarHBondContact O-N 3.39Å; T146-S149 WeakPolarHBondContact O-CB 3.35Å; T146-S149 PolarHBondContact O-N 3.16Å; I147-S149 VanDerWaalsContact C-N 3.34Å; I147-S149 PolarHBondContact O-N 3.3Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.28Å; S149-L152 PolarHBondContact O-N 2.99Å; S149-A153 PolarHBondContact O-N 3.03Å |
| 150 | L | 98.7 | Very high | 98.5 | Very high | 6 Ų | 6 | 23.2 Ų | 23.2 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.9 | -35.7 | 179.9 | -66.4 | 177.8 | 0 | 0 | 0 | 112.8 | F63 F67 T146 I147 F148 G154 I206 | F63-L150 HydrophobicContact CD1-CD1 4.49Å; F63-L150 HydrophobicContact CD1-CD2 3.72Å; F63-L150 HydrophobicContact CE1-CD1 3.73Å; F63-L150 HydrophobicContact CE1-CD2 3.77Å; F63-L150 HydrophobicContact CE1-CG 4.29Å; F63-L150 HydrophobicContact CG-CD2 4.5Å; F63-L150 HydrophobicContact CZ-CD1 3.88Å; F67-L150 HydrophobicContact CD1-CD2 4.34Å; F67-L150 HydrophobicContact CD2-CD2 3.97Å; F67-L150 HydrophobicContact CE1-CD2 4.35Å; F67-L150 HydrophobicContact CE2-CD2 3.95Å; F67-L150 HydrophobicContact CG-CD2 4.19Å; F67-L150 HydrophobicContact CZ-CD2 4.15Å; T146-L150 HydrophobicContact CG2-CD1 4.29Å; T146-L150 WeakPolarHBondContact O-CG 3.49Å; T146-L150 PolarHBondContact O-N 3.39Å; I147-L150 PolarHBondContact O-N 3.48Å; F148-L150 PolarHBondContact O-N 3.26Å; L150-G154 PolarHBondContact O-N 3.08Å; L150-I206 HydrophobicContact CB-CD1 3.83Å |
| 151 | H | 98.9 | Very high | 98.6 | Very high | 47 Ų | 47 | 22.5 Ų | 22.5 | 22% | 0.218 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -61 | -48.5 | 172.6 | -80.3 | 98.7 | 0 | 0 | 0 | 112.2 | I147 F148 S149 A153 G154 V155 I206 T207 | I147-H151 WeakPolarHBondContact CG2-CE1 3.4Å; I147-H151 WeakPolarHBondContact CG2-ND1 3.26Å; I147-H151 PolarHBondContact O-N 3Å; I147-H151 PolarHBondContact O-ND1 2.9Å; F148-H151 PolarHBondContact O-N 3.34Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.28Å; H151-A153 PolarHBondContact O-N 3.24Å; H151-G154 PolarHBondContact O-N 2.57Å; H151-V155 WeakPolarHBondContact O-CG2 3.23Å; H151-V155 PolarHBondContact O-N 3.19Å; H151-I206 VanDerWaalsContact CE1-CG1 3.43Å; H151-I206 WeakPolarHBondContact CE1-CG1 3.49Å; H151-T207 PolarHBondContact NE2-OG1 3.24Å |
| 152 | L | 98.8 | Very high | 98.7 | Very high | 49 Ų | 49 | 23.5 Ų | 23.5 | 26% | 0.257 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -63.5 | -42.1 | 179.7 | -80.8 | 146 | 0 | 0 | 0 | 111.9 | L104 L111 F148 S149 G154 V155 S156 | L104-L152 HydrophobicContact CD2-CD2 3.79Å; L111-L152 HydrophobicContact CD1-CD1 3.2Å; F148-L152 WeakPolarHBondContact O-CD1 3.44Å; F148-L152 PolarHBondContact O-N 3.29Å; S149-L152 PolarHBondContact O-N 2.99Å; L152-G154 VanDerWaalsContact C-N 3.35Å; L152-V155 PolarHBondContact O-N 3.3Å; L152-S156 PolarHBondContact O-N 3.33Å |
| 153 | A | 98.7 | Very high | 98.7 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.9 | -39.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F68 L105 S108 S149 H151 S156 S157 | F68-A153 HydrophobicContact CZ-CB 4.4Å; L105-A153 HydrophobicContact CD2-CB 4.33Å; S108-A153 PolarHBondContact OG-N 3.43Å; S149-A153 PolarHBondContact O-N 3.03Å; H151-A153 PolarHBondContact O-N 3.24Å; A153-S156 VanDerWaalsContact O-CB 3.32Å; A153-S156 WeakPolarHBondContact O-CB 3.43Å; A153-S156 PolarHBondContact O-N 2.87Å; A153-S157 PolarHBondContact O-N 2.94Å; A153-S157 PolarHBondContact O-OG 2.68Å |
| 154 | G | 98.6 | Very high | 98.7 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 9% | 0.093 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.5 | -44.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L150 H151 L152 S156 S157 I158 | L150-G154 PolarHBondContact O-N 3.08Å; H151-G154 PolarHBondContact O-N 2.57Å; L152-G154 VanDerWaalsContact C-N 3.35Å; G154-S156 PolarHBondContact O-N 3.12Å; G154-S157 PolarHBondContact O-N 2.76Å; G154-I158 WeakPolarHBondContact O-CG1 3.37Å; G154-I158 PolarHBondContact O-N 2.88Å |
| 155 | V | 98.8 | Very high | 98.8 | Very high | 69 Ų | 69 | 24 Ų | 24 | 42% | 0.418 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.5 | 175.9 | 0 | 0 | 0 | 0 | 110.8 | L104 H151 L152 S157 I158 L159 | L104-V155 HydrophobicContact CD1-CB 4.22Å; L104-V155 HydrophobicContact CD1-CG1 3.69Å; H151-V155 WeakPolarHBondContact O-CG2 3.23Å; H151-V155 PolarHBondContact O-N 3.19Å; L152-V155 PolarHBondContact O-N 3.3Å; V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.59Å; V155-I158 PolarHBondContact O-N 3.39Å; V155-L159 HydrophobicContact CG1-CD1 4.02Å; V155-L159 HydrophobicContact CG1-CG 4.27Å; V155-L159 WeakPolarHBondContact O-CB 3.49Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.32Å |
| 156 | S | 98.8 | Very high | 98.7 | Very high | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.021 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -51.8 | -53.4 | 173.4 | 173 | 0 | 0 | 0 | 0 | 111.3 | S101 L152 A153 G154 L159 G160 | S101-S156 WeakPolarHBondContact CB-O 3.39Å; S101-S156 VanDerWaalsContact O-CB 3.23Å; S101-S156 WeakPolarHBondContact O-CB 3.26Å; S101-S156 PolarHBondContact O-OG 2.9Å; L152-S156 PolarHBondContact O-N 3.33Å; A153-S156 VanDerWaalsContact O-CB 3.32Å; A153-S156 WeakPolarHBondContact O-CB 3.43Å; A153-S156 PolarHBondContact O-N 2.87Å; G154-S156 PolarHBondContact O-N 3.12Å; S156-L159 PolarHBondContact O-N 3.22Å; S156-G160 PolarHBondContact O-N 3.21Å |
| 157 | S | 98.5 | Very high | 98.7 | Very high | 21 Ų | 21 | 23.9 Ų | 23.9 | 15% | 0.147 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.2 | -38 | -178.2 | -67.3 | 0 | 0 | 0 | 0 | 113.7 | A153 G154 V155 G160 A161 L199 | A153-S157 PolarHBondContact O-N 2.94Å; A153-S157 PolarHBondContact O-OG 2.68Å; G154-S157 PolarHBondContact O-N 2.76Å; V155-S157 VanDerWaalsContact C-N 3.35Å; V155-S157 PolarHBondContact O-N 2.59Å; S157-G160 PolarHBondContact O-N 3.48Å; S157-A161 VanDerWaalsContact O-CB 3.28Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.49Å; S157-L199 VanDerWaalsContact CB-CD1 3.45Å |
| 158 | I | 98.7 | Very high | 98.7 | Very high | 41 Ų | 41 | 23.8 Ų | 23.8 | 21% | 0.21 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64.8 | -45.6 | 175.9 | -70.1 | 168 | 0 | 0 | 0 | 110.9 | G154 V155 G160 A161 I162 L196 L199 | G154-I158 WeakPolarHBondContact O-CG1 3.37Å; G154-I158 PolarHBondContact O-N 2.88Å; V155-I158 PolarHBondContact O-N 3.39Å; I158-G160 VanDerWaalsContact C-N 3.33Å; I158-G160 PolarHBondContact O-N 2.86Å; I158-A161 PolarHBondContact O-N 3.25Å; I158-I162 HydrophobicContact CG2-CD1 3.95Å; I158-I162 WeakPolarHBondContact O-CG1 3.44Å; I158-I162 PolarHBondContact O-N 3.5Å; I158-L196 HydrophobicContact CG2-CD1 4.17Å; I158-L199 HydrophobicContact CD1-CB 3.95Å; I158-L199 HydrophobicContact CG1-CB 3.95Å; I158-L199 HydrophobicContact CG1-CD1 3.85Å |
| 159 | L | 98.8 | Very high | 98.6 | Very high | 31 Ų | 31 | 23.7 Ų | 23.7 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 176.8 | -68.2 | 178.4 | 0 | 0 | 0 | 111.2 | M97 M100 L104 V155 S156 N163 | M97-L159 HydrophobicContact CE-CD2 4.47Å; M97-L159 HydrophobicContact CG-CB 3.92Å; M97-L159 HydrophobicContact CG-CD2 3.91Å; M97-L159 HydrophobicContact CG-CG 4.32Å; M97-L159 HydrophobicContact SD-CB 4.29Å; M97-L159 HydrophobicContact SD-CD2 3.95Å; M100-L159 HydrophobicContact CE-CD1 4.34Å; M100-L159 HydrophobicContact CG-CD1 4.18Å; M100-L159 HydrophobicContact SD-CD1 4.13Å; L104-L159 HydrophobicContact CD1-CD1 4.02Å; V155-L159 HydrophobicContact CG1-CD1 4.02Å; V155-L159 HydrophobicContact CG1-CG 4.27Å; V155-L159 WeakPolarHBondContact O-CB 3.49Å; V155-L159 VanDerWaalsContact O-CG 3.28Å; V155-L159 WeakPolarHBondContact O-CG 3.43Å; V155-L159 PolarHBondContact O-N 3.32Å; S156-L159 PolarHBondContact O-N 3.22Å; L159-N163 WeakPolarHBondContact O-CB 3.1Å; L159-N163 PolarHBondContact O-N 2.95Å; L159-N163 VanDerWaalsContact O-N 3.16Å |
| 160 | G | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 29.2 Ų | 29.2 | 6% | 0.062 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.4 | -46.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S156 S157 I158 N163 F164 | S156-G160 PolarHBondContact O-N 3.21Å; S157-G160 PolarHBondContact O-N 3.48Å; I158-G160 VanDerWaalsContact C-N 3.33Å; I158-G160 PolarHBondContact O-N 2.86Å; G160-N163 WeakPolarHBondContact O-CB 3.24Å; G160-N163 PolarHBondContact O-N 3.09Å; G160-F164 WeakPolarHBondContact O-CD2 3.41Å; G160-F164 PolarHBondContact O-N 3.37Å |
| 161 | A | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -47.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S157 I158 N163 F164 I165 A192 L195 | S157-A161 VanDerWaalsContact O-CB 3.28Å; S157-A161 WeakPolarHBondContact O-CB 3.41Å; S157-A161 PolarHBondContact O-N 3.49Å; I158-A161 PolarHBondContact O-N 3.25Å; A161-N163 VanDerWaalsContact C-N 3.27Å; A161-N163 PolarHBondContact O-N 2.85Å; A161-F164 PolarHBondContact O-N 3.4Å; A161-I165 WeakPolarHBondContact O-CB 3.48Å; A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.35Å; A161-I165 PolarHBondContact O-N 3.24Å; A161-A192 HydrophobicContact CB-CB 4.06Å; A161-A192 WeakPolarHBondContact CB-O 3.3Å; A161-L195 HydrophobicContact CB-CB 4.01Å |
| 162 | I | 98.9 | Very high | 98.2 | Very high | 57 Ų | 57 | 31 Ų | 31 | 29% | 0.292 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.9 | -43.2 | 176.5 | -68 | 167.2 | 0 | 0 | 0 | 110.6 | F94 M97 I158 T166 L196 | F94-I162 HydrophobicContact CD2-CG2 4.49Å; F94-I162 HydrophobicContact CE2-CG2 4.1Å; M97-I162 HydrophobicContact SD-CG2 4.48Å; I158-I162 HydrophobicContact CG2-CD1 3.95Å; I158-I162 WeakPolarHBondContact O-CG1 3.44Å; I158-I162 PolarHBondContact O-N 3.5Å; I162-T166 WeakPolarHBondContact O-CB 3.4Å; I162-T166 PolarHBondContact O-N 3.39Å; I162-T166 PolarHBondContact O-OG1 3.35Å; I162-L196 HydrophobicContact CD1-CD1 4.34Å; I162-L196 HydrophobicContact CG1-CD1 3.95Å |
| 163 | N | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.5 | -44.5 | 179.1 | -169.4 | 21.5 | 0 | 0 | 0 | 112.2 | M92 A93 F94 N98 L159 G160 A161 T166 T167 | M92-N163 HydrophobicContact CE-CB 4.34Å; M92-N163 WeakPolarHBondContact CE-ND2 3.47Å; A93-N163 PolarHBondContact N-OD1 3.1Å; F94-N163 HydrophobicContact CD2-CB 4.24Å; F94-N163 PolarHBondContact N-OD1 3.46Å; F94-N163 PolarHBondContact O-ND2 3.24Å; N98-N163 WeakPolarHBondContact CB-ND2 3.25Å; L159-N163 WeakPolarHBondContact O-CB 3.1Å; L159-N163 PolarHBondContact O-N 2.95Å; L159-N163 VanDerWaalsContact O-N 3.16Å; G160-N163 WeakPolarHBondContact O-CB 3.24Å; G160-N163 PolarHBondContact O-N 3.09Å; A161-N163 VanDerWaalsContact C-N 3.27Å; A161-N163 PolarHBondContact O-N 2.85Å; N163-T166 PolarHBondContact O-N 3.1Å; N163-T167 VanDerWaalsContact O-CB 3.26Å; N163-T167 WeakPolarHBondContact O-CB 3.48Å; N163-T167 PolarHBondContact O-N 3.24Å; N163-T167 PolarHBondContact O-OG1 3.36Å; N163-T167 PolarHBondContact OD1-OG1 3.32Å |
| 164 | F | 98.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.3 | -48.6 | 175.1 | -79.9 | -59.9 | 0 | 0 | 0 | 112.3 | I75 G79 V83 M92 G160 A161 T166 T167 I168 V188 A192 | I75-F164 HydrophobicContact CG2-CD2 4.16Å; I75-F164 HydrophobicContact CG2-CE2 3.64Å; I75-F164 WeakPolarHBondContact O-CZ 3.45Å; G79-F164 VanDerWaalsContact C-CE1 3.41Å; V83-F164 HydrophobicContact CB-CD1 4.42Å; V83-F164 HydrophobicContact CB-CE1 4.29Å; V83-F164 HydrophobicContact CG1-CD1 4.4Å; V83-F164 HydrophobicContact CG2-CD1 4.28Å; V83-F164 HydrophobicContact CG2-CE1 4.18Å; M92-F164 HydrophobicContact CE-CD1 3.46Å; M92-F164 VanDerWaalsContact CE-CD1 3.46Å; M92-F164 HydrophobicContact CE-CE1 3.52Å; M92-F164 HydrophobicContact CE-CG 4.04Å; M92-F164 HydrophobicContact CE-CZ 4.19Å; M92-F164 HydrophobicContact SD-CD1 4.41Å; M92-F164 HydrophobicContact SD-CE1 4.2Å; G160-F164 WeakPolarHBondContact O-CD2 3.41Å; G160-F164 PolarHBondContact O-N 3.37Å; A161-F164 PolarHBondContact O-N 3.4Å; F164-T166 VanDerWaalsContact C-N 3.31Å; F164-T166 PolarHBondContact O-N 2.9Å; F164-T167 PolarHBondContact O-N 3.2Å; F164-I168 HydrophobicContact CB-CD1 4.5Å; F164-I168 WeakPolarHBondContact O-CB 3.46Å; F164-I168 VanDerWaalsContact O-CG1 3.23Å; F164-I168 WeakPolarHBondContact O-CG1 3.22Å; F164-I168 PolarHBondContact O-N 3.18Å; F164-V188 HydrophobicContact CB-CG1 4.33Å; F164-V188 HydrophobicContact CD1-CG1 3.77Å; F164-V188 HydrophobicContact CD2-CG1 4.3Å; F164-V188 HydrophobicContact CE1-CG1 4.18Å; F164-V188 HydrophobicContact CG-CG1 3.88Å; F164-A192 HydrophobicContact CB-CB 4.02Å |
| 165 | I | 98.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 42 Ų | 42 | 15% | 0.149 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -56.8 | -49.5 | 179.3 | -69.5 | 164.5 | 0 | 0 | 0 | 109.8 | A161 T167 I168 I169 L189 A192 V193 L196 | A161-I165 WeakPolarHBondContact O-CB 3.48Å; A161-I165 VanDerWaalsContact O-CG1 3.27Å; A161-I165 WeakPolarHBondContact O-CG1 3.35Å; A161-I165 PolarHBondContact O-N 3.24Å; I165-T167 PolarHBondContact O-N 3.05Å; I165-I168 PolarHBondContact O-N 3.13Å; I165-I169 HydrophobicContact CG2-CD1 3.69Å; I165-I169 WeakPolarHBondContact O-CB 2.98Å; I165-I169 VanDerWaalsContact O-CG1 3.28Å; I165-I169 WeakPolarHBondContact O-CG1 3.16Å; I165-I169 PolarHBondContact O-N 3.23Å; I165-L189 HydrophobicContact CG1-CD1 4.22Å; I165-A192 HydrophobicContact CD1-CB 4.16Å; I165-A192 HydrophobicContact CG1-CB 3.75Å; I165-V193 HydrophobicContact CD1-CG2 4.07Å; I165-V193 HydrophobicContact CG1-CG2 4.3Å; I165-L196 HydrophobicContact CD1-CD2 3.92Å |
| 166 | T | 98.7 | Very high | 96.9 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.5 | -42.5 | -177.8 | -57.4 | 0 | 0 | 0 | 0 | 111.5 | A93 F94 I162 N163 F164 N170 | A93-T166 HydrophobicContact CB-CG2 3.62Å; F94-T166 HydrophobicContact CE2-CG2 3.75Å; F94-T166 WeakPolarHBondContact CE2-OG1 3.37Å; F94-T166 HydrophobicContact CZ-CG2 3.69Å; I162-T166 WeakPolarHBondContact O-CB 3.4Å; I162-T166 PolarHBondContact O-N 3.39Å; I162-T166 PolarHBondContact O-OG1 3.35Å; N163-T166 PolarHBondContact O-N 3.1Å; F164-T166 VanDerWaalsContact C-N 3.31Å; F164-T166 PolarHBondContact O-N 2.9Å; T166-N170 VanDerWaalsContact O-CB 3.3Å; T166-N170 WeakPolarHBondContact O-CB 3.36Å; T166-N170 PolarHBondContact O-N 2.92Å; T166-N170 PolarHBondContact O-ND2 3.2Å |
| 167 | T | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -50.6 | 178.1 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | I87 M92 A93 N163 F164 I165 I169 M171 | I87-T167 HydrophobicContact CD1-CG2 4.01Å; M92-T167 HydrophobicContact SD-CG2 3.96Å; A93-T167 WeakPolarHBondContact CB-OG1 3.24Å; A93-T167 PolarHBondContact N-OG1 3.18Å; N163-T167 VanDerWaalsContact O-CB 3.26Å; N163-T167 WeakPolarHBondContact O-CB 3.48Å; N163-T167 PolarHBondContact O-N 3.24Å; N163-T167 PolarHBondContact O-OG1 3.36Å; N163-T167 PolarHBondContact OD1-OG1 3.32Å; F164-T167 PolarHBondContact O-N 3.2Å; I165-T167 PolarHBondContact O-N 3.05Å; T167-I169 PolarHBondContact O-N 3.02Å; T167-M171 HydrophobicContact CG2-CB 4.47Å; T167-M171 HydrophobicContact CG2-SD 3.98Å; T167-M171 VanDerWaalsContact O-CB 3.29Å; T167-M171 WeakPolarHBondContact O-CB 3.43Å; T167-M171 PolarHBondContact O-N 3.12Å |
| 168 | I | 98.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.2 | -38.2 | -175.1 | -66.1 | 169.6 | 0 | 0 | 0 | 111.7 | V83 F164 I165 K172 V185 V188 L189 | V83-I168 HydrophobicContact CG1-CD1 3.98Å; V83-I168 HydrophobicContact CG1-CG1 3.54Å; F164-I168 HydrophobicContact CB-CD1 4.5Å; F164-I168 WeakPolarHBondContact O-CB 3.46Å; F164-I168 VanDerWaalsContact O-CG1 3.23Å; F164-I168 WeakPolarHBondContact O-CG1 3.22Å; F164-I168 PolarHBondContact O-N 3.18Å; I165-I168 PolarHBondContact O-N 3.13Å; I168-K172 WeakPolarHBondContact O-CD 3.06Å; I168-K172 WeakPolarHBondContact O-CE 3.47Å; I168-K172 WeakPolarHBondContact O-CG 3.25Å; I168-V185 HydrophobicContact CB-CG1 4.38Å; I168-V185 HydrophobicContact CD1-CG1 3.86Å; I168-V185 HydrophobicContact CG1-CG1 3.79Å; I168-V185 HydrophobicContact CG2-CG1 3.71Å; I168-V188 HydrophobicContact CD1-CB 4.49Å; I168-V188 HydrophobicContact CD1-CG1 4.28Å; I168-L189 HydrophobicContact CB-CD1 4.39Å; I168-L189 HydrophobicContact CD1-CB 3.9Å; I168-L189 HydrophobicContact CD1-CD1 4.46Å; I168-L189 HydrophobicContact CG2-CB 4.29Å; I168-L189 HydrophobicContact CG2-CD1 4.29Å; I168-L189 HydrophobicContact CG2-CD2 4.06Å; I168-L189 HydrophobicContact CG2-CG 4.45Å |
| 169 | I | 96.8 | Very high | 95.7 | Very high | 93 Ų | 93 | 50.2 Ų | 50.2 | 48% | 0.477 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -76.3 | -43.4 | -178.3 | -65.3 | 175.5 | 0 | 0 | 0 | 110.9 | I165 T167 | I165-I169 HydrophobicContact CG2-CD1 3.69Å; I165-I169 WeakPolarHBondContact O-CB 2.98Å; I165-I169 VanDerWaalsContact O-CG1 3.28Å; I165-I169 WeakPolarHBondContact O-CG1 3.16Å; I165-I169 PolarHBondContact O-N 3.23Å; T167-I169 PolarHBondContact O-N 3.02Å |
| 170 | N | 97.1 | Very high | 95.3 | Very high | 115 Ų | 115 | 54.2 Ų | 54.2 | 62% | 0.615 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -103.6 | -19.9 | -165.3 | -61.3 | -49.3 | 0 | 0 | 0 | 115.4 | T166 | T166-N170 VanDerWaalsContact O-CB 3.3Å; T166-N170 WeakPolarHBondContact O-CB 3.36Å; T166-N170 PolarHBondContact O-N 2.92Å; T166-N170 PolarHBondContact O-ND2 3.2Å |
| 171 | M | 97.3 | Very high | 95.2 | Very high | 53 Ų | 53 | 54 Ų | 54 | 26% | 0.261 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -104.2 | 12.9 | -170.1 | -58 | -175.5 | 69 | 0 | 0 | 114.4 | A89 P90 D91 A93 T167 | A89-M171 HydrophobicContact CB-CB 3.92Å; A89-M171 HydrophobicContact CB-CE 4.35Å; P90-M171 HydrophobicContact CG-CE 4.5Å; D91-M171 VanDerWaalsContact O-CE 3.22Å; D91-M171 WeakPolarHBondContact O-CE 3.4Å; A93-M171 WeakPolarHBondContact CA-SD 3.24Å; A93-M171 HydrophobicContact CB-SD 3.66Å; A93-M171 PolarHBondContact N-SD 3.18Å; T167-M171 HydrophobicContact CG2-CB 4.47Å; T167-M171 HydrophobicContact CG2-SD 3.98Å; T167-M171 VanDerWaalsContact O-CB 3.29Å; T167-M171 WeakPolarHBondContact O-CB 3.43Å; T167-M171 PolarHBondContact O-N 3.12Å |
| 172 | K | 94.4 | Very high | 95.1 | Very high | 37 Ų | 37 | 55.2 Ų | 55.2 | 16% | 0.161 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -74.6 | 147.9 | 174.7 | -64.2 | -176 | -64.9 | 170.1 | 0 | 111.2 | I87 I168 M176 | I87-K172 HydrophobicContact CB-CG 4.11Å; I87-K172 HydrophobicContact CD1-CG 4.38Å; I87-K172 HydrophobicContact CG2-CG 4.39Å; I168-K172 WeakPolarHBondContact O-CD 3.06Å; I168-K172 WeakPolarHBondContact O-CE 3.47Å; I168-K172 WeakPolarHBondContact O-CG 3.25Å; K172-M176 HydrophobicContact CB-CB 4.44Å; K172-M176 HydrophobicContact CB-SD 4.36Å; K172-M176 HydrophobicContact CD-CG 4.5Å; K172-M176 HydrophobicContact CD-SD 4.02Å; K172-M176 HydrophobicContact CG-SD 4.23Å |
| 173 | P | 92.5 | Very high | 95.1 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | trans | -54.4 | 144 | 169.4 | -26.7 | 31.8 | 0 | 0 | 0 | 111.1 | I87 A175 M176 | I87-P173 WeakPolarHBondContact O-CD 3.43Å; P173-A175 PolarHBondContact O-N 3.47Å; P173-M176 PolarHBondContact O-N 2.87Å | ||
| 174 | P | 89.6 | Confident | 95.1 | Very high | 145 Ų | 145 | 52.8 Ų | 52.8 | 94% | 0.942 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -26.7 | -179 | -27.9 | 35 | 0 | 0 | 0 | 114.7 | M176 | P174-M176 VanDerWaalsContact C-N 3.34Š|
| 175 | A | 91.5 | Very high | 95.1 | Very high | 89 Ų | 89 | 52.7 Ų | 52.7 | 74% | 0.736 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -14.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | P173 | P173-A175 PolarHBondContact O-N 3.47Š|
| 176 | M | 93.8 | Very high | 95.1 | Very high | 42 Ų | 42 | 52.2 Ų | 52.2 | 21% | 0.207 | 29% | 0.287 | C | S | . | . | trans | -94 | 107.4 | -175.6 | -170.8 | -174.7 | -150.7 | 0 | 0 | 111.1 | K172 P173 P174 Q180 P182 | K172-M176 HydrophobicContact CB-CB 4.44Å; K172-M176 HydrophobicContact CB-SD 4.36Å; K172-M176 HydrophobicContact CD-CG 4.5Å; K172-M176 HydrophobicContact CD-SD 4.02Å; K172-M176 HydrophobicContact CG-SD 4.23Å; P173-M176 PolarHBondContact O-N 2.87Å; P174-M176 VanDerWaalsContact C-N 3.34Å; M176-Q180 WeakPolarHBondContact CE-O 3.47Å; M176-Q180 HydrophobicContact CG-CB 4.36Å; M176-P182 HydrophobicContact CE-CG 4.43Å | ||
| 177 | T | 92.2 | Very high | 95 | Very high | 73 Ų | 73 | 50.6 Ų | 50.6 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | trans | -73.7 | 163.2 | 173.7 | 68.8 | 0 | 0 | 0 | 0 | 111.6 | Y179 Q180 | T177-Y179 PolarHBondContact O-N 2.84Å; T177-Q180 PolarHBondContact O-N 3.38Å; T177-Q180 VanDerWaalsContact O-N 3.09Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.48Å; T177-Q180 PolarHBondContact OG1-OE1 3.19Å | ||
| 178 | Q | 89.3 | Confident | 95.1 | Very high | 54 Ų | 54 | 50.6 Ų | 50.6 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -62 | -29.7 | 176.1 | -171.9 | 59.6 | 19.7 | 0 | 0 | 112.7 | Q180 T181 W186 | Q178-Q180 PolarHBondContact O-N 3.47Å; Q178-T181 WeakPolarHBondContact O-CB 3.32Å; Q178-T181 PolarHBondContact O-N 3.49Å; Q178-T181 PolarHBondContact O-OG1 3.36Å; Q178-T181 VanDerWaalsContact O-OG1 3.07Å; Q178-W186 HydrophobicContact CG-CH2 3.55Å; Q178-W186 HydrophobicContact CG-CZ2 3.52Å; Q178-W186 VanDerWaalsContact NE2-CZ2 3.31Å; Q178-W186 VanDerWaalsContact O-CZ2 3.3Å; Q178-W186 WeakPolarHBondContact O-CZ2 3.36Å; Q178-W186 PolarHBondContact O-NE1 3.29Å |
| 179 | Y | 87.6 | Confident | 95.1 | Very high | 139 Ų | 139 | 51.4 Ų | 51.4 | 55% | 0.545 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -75 | -10.6 | 177.1 | -61.8 | -63.3 | 0 | 0 | 0 | 113.5 | T177 Y270 M271 | T177-Y179 PolarHBondContact O-N 2.84Å; Y179-Y270 WeakPolarHBondContact O-CE1 3.46Å; Y179-Y270 PolarHBondContact O-OH 2.92Å; Y179-M271 HydrophobicContact CD1-CE 3.36Å; Y179-M271 HydrophobicContact CD1-SD 3.76Å; Y179-M271 HydrophobicContact CE1-CE 3.56Å; Y179-M271 HydrophobicContact CG-CE 4.41Å; Y179-M271 HydrophobicContact CG-SD 4.44Å |
| 180 | Q | 91.6 | Very high | 95.2 | Very high | 115 Ų | 115 | 47.7 Ų | 47.7 | 54% | 0.537 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -99.6 | 1.1 | 176.5 | -68.5 | 162 | -51 | 0 | 0 | 112.8 | M176 T177 Q178 | M176-Q180 WeakPolarHBondContact CE-O 3.47Å; M176-Q180 HydrophobicContact CG-CB 4.36Å; T177-Q180 PolarHBondContact O-N 3.38Å; T177-Q180 VanDerWaalsContact O-N 3.09Å; T177-Q180 WeakPolarHBondContact OG1-CG 3.48Å; T177-Q180 PolarHBondContact OG1-OE1 3.19Å; Q178-Q180 PolarHBondContact O-N 3.47Å |
| 181 | T | 96.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -64.7 | 129.6 | -179.8 | -58.7 | 0 | 0 | 0 | 0 | 111.8 | Q178 V185 W186 Y270 | Q178-T181 WeakPolarHBondContact O-CB 3.32Å; Q178-T181 PolarHBondContact O-N 3.49Å; Q178-T181 PolarHBondContact O-OG1 3.36Å; Q178-T181 VanDerWaalsContact O-OG1 3.07Å; T181-V185 HydrophobicContact CG2-CB 3.57Å; T181-V185 HydrophobicContact CG2-CG1 3.44Å; T181-V185 VanDerWaalsContact CG2-CG1 3.44Å; T181-W186 HydrophobicContact CG2-CG 4.36Å; T181-W186 PolarHBondContact O-NE1 2.96Å; T181-Y270 PolarHBondContact O-OH 3.49Å |
| 182 | P | 97.3 | Very high | 95.3 | Very high | 27 Ų | 27 | 39.7 Ų | 39.7 | 18% | 0.175 | 22% | 0.221 | C | C | . | . | trans | -54.1 | 144.9 | 177.4 | -31.7 | 38.3 | 0 | 0 | 0 | 113.7 | M86 M176 F184 V185 W186 | M86-P182 HydrophobicContact CB-CG 4.2Å; M86-P182 HydrophobicContact SD-CB 4.29Å; M176-P182 HydrophobicContact CE-CG 4.43Å; P182-F184 VanDerWaalsContact C-N 3.27Å; P182-F184 PolarHBondContact O-N 3.06Å; P182-V185 HydrophobicContact CB-CG2 4.19Å; P182-V185 HydrophobicContact CG-CG2 4.47Å; P182-V185 WeakPolarHBondContact O-CA 3.42Å; P182-V185 WeakPolarHBondContact O-CB 3.38Å; P182-V185 PolarHBondContact O-N 3.47Å; P182-W186 PolarHBondContact O-N 3.32Å | ||
| 183 | L | 98.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -34.2 | -176.3 | -71.3 | 179.8 | 0 | 0 | 0 | 113.8 | W186 S187 P267 Y270 M273 V274 M277 | L183-W186 PolarHBondContact O-N 3.48Å; L183-S187 WeakPolarHBondContact O-CB 3.25Å; L183-S187 PolarHBondContact O-N 3.46Å; L183-P267 HydrophobicContact CD1-CB 4.12Å; L183-P267 HydrophobicContact CD1-CG 3.52Å; L183-P267 HydrophobicContact CG-CG 4.39Å; L183-Y270 HydrophobicContact CD1-CD2 4.33Å; L183-Y270 HydrophobicContact CD2-CD2 3.67Å; L183-Y270 HydrophobicContact CD2-CE2 3.58Å; L183-Y270 HydrophobicContact CG-CD2 3.81Å; L183-Y270 HydrophobicContact CG-CE2 3.84Å; L183-M273 HydrophobicContact CD1-CB 4.23Å; L183-M273 HydrophobicContact CD1-CE 3.82Å; L183-M273 HydrophobicContact CD1-SD 3.72Å; L183-M273 HydrophobicContact CD2-CB 4.16Å; L183-V274 HydrophobicContact CD2-CG2 3.55Å; L183-M277 HydrophobicContact CB-CE 4.44Å; L183-M277 HydrophobicContact CD2-CE 3.76Å |
| 184 | F | 98.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 0% | 0.004 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.3 | -46 | 171.2 | -179.4 | -105.1 | 0 | 0 | 0 | 112.2 | F78 L82 V83 M86 P182 W186 S187 V188 P249 M253 H256 | F78-F184 HydrophobicContact CB-CE2 4.47Å; F78-F184 HydrophobicContact CB-CZ 3.84Å; L82-F184 HydrophobicContact CB-CD1 4.12Å; L82-F184 HydrophobicContact CB-CE1 3.76Å; L82-F184 HydrophobicContact CD1-CD1 4.37Å; L82-F184 HydrophobicContact CD1-CE1 4.05Å; L82-F184 HydrophobicContact CD1-CZ 4.35Å; L82-F184 HydrophobicContact CG-CE1 4.48Å; V83-F184 HydrophobicContact CG2-CE1 4.2Å; M86-F184 HydrophobicContact CE-CB 4.42Å; M86-F184 HydrophobicContact CE-CD1 4.32Å; M86-F184 HydrophobicContact SD-CB 3.98Å; M86-F184 HydrophobicContact SD-CD1 3.76Å; M86-F184 HydrophobicContact SD-CG 4.29Å; P182-F184 VanDerWaalsContact C-N 3.27Å; P182-F184 PolarHBondContact O-N 3.06Å; F184-W186 VanDerWaalsContact C-N 3.34Å; F184-W186 PolarHBondContact O-N 2.93Å; F184-S187 WeakPolarHBondContact CA-OG 3.28Å; F184-S187 PolarHBondContact O-N 3.33Å; F184-S187 VanDerWaalsContact O-N 3.11Å; F184-S187 PolarHBondContact O-OG 3.25Å; F184-V188 HydrophobicContact CD1-CG2 4.3Å; F184-V188 HydrophobicContact CE1-CG2 3.79Å; F184-V188 HydrophobicContact CE2-CG2 4.05Å; F184-V188 HydrophobicContact CZ-CG2 3.66Å; F184-V188 WeakPolarHBondContact O-CG2 3.31Å; F184-V188 PolarHBondContact O-N 3.19Å; F184-P249 HydrophobicContact CE2-CB 4.27Å; F184-M253 HydrophobicContact CD2-CG 3.56Å; F184-M253 HydrophobicContact CE2-CG 3.57Å; F184-M253 HydrophobicContact CE2-SD 4.3Å; F184-H256 PolarHBondContact N-NE2 2.98Å |
| 185 | V | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -40.3 | 178.2 | 179.3 | 0 | 0 | 0 | 0 | 110.9 | V83 M86 I87 I168 T181 P182 S187 V188 L189 | V83-V185 HydrophobicContact CG1-CG1 4.44Å; M86-V185 HydrophobicContact CB-CG2 3.63Å; M86-V185 HydrophobicContact CG-CG2 4.49Å; M86-V185 HydrophobicContact SD-CG2 4.11Å; I87-V185 HydrophobicContact CG2-CB 4.42Å; I87-V185 HydrophobicContact CG2-CG1 3.75Å; I87-V185 HydrophobicContact CG2-CG2 3.96Å; I168-V185 HydrophobicContact CB-CG1 4.38Å; I168-V185 HydrophobicContact CD1-CG1 3.86Å; I168-V185 HydrophobicContact CG1-CG1 3.79Å; I168-V185 HydrophobicContact CG2-CG1 3.71Å; T181-V185 HydrophobicContact CG2-CB 3.57Å; T181-V185 HydrophobicContact CG2-CG1 3.44Å; T181-V185 VanDerWaalsContact CG2-CG1 3.44Å; P182-V185 HydrophobicContact CB-CG2 4.19Å; P182-V185 HydrophobicContact CG-CG2 4.47Å; P182-V185 WeakPolarHBondContact O-CA 3.42Å; P182-V185 WeakPolarHBondContact O-CB 3.38Å; P182-V185 PolarHBondContact O-N 3.47Å; V185-S187 VanDerWaalsContact C-N 3.34Å; V185-S187 PolarHBondContact O-N 3.37Å; V185-V188 PolarHBondContact O-N 3.35Å; V185-L189 WeakPolarHBondContact O-CB 3.31Å; V185-L189 PolarHBondContact O-N 3.29Å |
| 186 | W | 98.4 | Very high | 96.6 | Very high | 19 Ų | 19 | 30.3 Ų | 30.3 | 7% | 0.072 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.9 | -45.6 | 170.4 | -89.6 | 115.6 | 0 | 0 | 0 | 112.6 | Q178 T181 P182 L183 F184 V188 L189 I190 Y270 V274 M277 M278 | Q178-W186 HydrophobicContact CG-CH2 3.55Å; Q178-W186 HydrophobicContact CG-CZ2 3.52Å; Q178-W186 VanDerWaalsContact NE2-CZ2 3.31Å; Q178-W186 VanDerWaalsContact O-CZ2 3.3Å; Q178-W186 WeakPolarHBondContact O-CZ2 3.36Å; Q178-W186 PolarHBondContact O-NE1 3.29Å; T181-W186 HydrophobicContact CG2-CG 4.36Å; T181-W186 PolarHBondContact O-NE1 2.96Å; P182-W186 PolarHBondContact O-N 3.32Å; L183-W186 PolarHBondContact O-N 3.48Å; F184-W186 VanDerWaalsContact C-N 3.34Å; F184-W186 PolarHBondContact O-N 2.93Å; W186-V188 VanDerWaalsContact C-N 3.33Å; W186-V188 PolarHBondContact O-N 3.32Å; W186-L189 HydrophobicContact CE3-CD2 4.09Å; W186-L189 HydrophobicContact CZ3-CD2 4.08Å; W186-L189 PolarHBondContact O-N 3.49Å; W186-I190 WeakPolarHBondContact O-CD1 3.39Å; W186-I190 VanDerWaalsContact O-CG1 3.31Å; W186-I190 WeakPolarHBondContact O-CG1 3.44Å; W186-I190 PolarHBondContact O-N 3.33Å; W186-Y270 PolarHBondContact NE1-OH 2.81Å; W186-V274 HydrophobicContact CD2-CG1 3.86Å; W186-V274 HydrophobicContact CE3-CG1 4.23Å; W186-V274 HydrophobicContact CG-CG1 4.29Å; W186-V274 HydrophobicContact CG-CG2 4.18Å; W186-V274 HydrophobicContact CH2-CG1 4.17Å; W186-V274 HydrophobicContact CZ2-CG1 3.79Å; W186-V274 HydrophobicContact CZ3-CG1 4.39Å; W186-M277 HydrophobicContact CB-CE 3.89Å; W186-M278 HydrophobicContact CH2-SD 4.27Å; W186-M278 HydrophobicContact CZ3-SD 3.88Å |
| 187 | S | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -38.9 | 179.6 | 72.9 | 0 | 0 | 0 | 0 | 112.5 | L183 F184 V185 T191 L248 | L183-S187 WeakPolarHBondContact O-CB 3.25Å; L183-S187 PolarHBondContact O-N 3.46Å; F184-S187 WeakPolarHBondContact CA-OG 3.28Å; F184-S187 PolarHBondContact O-N 3.33Å; F184-S187 VanDerWaalsContact O-N 3.11Å; F184-S187 PolarHBondContact O-OG 3.25Å; V185-S187 VanDerWaalsContact C-N 3.34Å; V185-S187 PolarHBondContact O-N 3.37Å; S187-T191 WeakPolarHBondContact O-CB 3.38Å; S187-T191 PolarHBondContact O-N 2.9Å; S187-T191 PolarHBondContact O-OG1 2.91Å; S187-L248 WeakPolarHBondContact CB-O 3.39Å |
| 188 | V | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.1 | -40.4 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | I75 V83 F164 I168 F184 V185 W186 T191 A192 | I75-V188 HydrophobicContact CD1-CG1 4.4Å; I75-V188 HydrophobicContact CD1-CG2 4.4Å; V83-V188 HydrophobicContact CG2-CB 4.1Å; V83-V188 HydrophobicContact CG2-CG1 3.98Å; V83-V188 HydrophobicContact CG2-CG2 4.09Å; F164-V188 HydrophobicContact CB-CG1 4.33Å; F164-V188 HydrophobicContact CD1-CG1 3.77Å; F164-V188 HydrophobicContact CD2-CG1 4.3Å; F164-V188 HydrophobicContact CE1-CG1 4.18Å; F164-V188 HydrophobicContact CG-CG1 3.88Å; I168-V188 HydrophobicContact CD1-CB 4.49Å; I168-V188 HydrophobicContact CD1-CG1 4.28Å; F184-V188 HydrophobicContact CD1-CG2 4.3Å; F184-V188 HydrophobicContact CE1-CG2 3.79Å; F184-V188 HydrophobicContact CE2-CG2 4.05Å; F184-V188 HydrophobicContact CZ-CG2 3.66Å; F184-V188 WeakPolarHBondContact O-CG2 3.31Å; F184-V188 PolarHBondContact O-N 3.19Å; V185-V188 PolarHBondContact O-N 3.35Å; W186-V188 VanDerWaalsContact C-N 3.33Å; W186-V188 PolarHBondContact O-N 3.32Å; V188-T191 PolarHBondContact O-N 2.71Å; V188-A192 WeakPolarHBondContact O-CB 3.49Å; V188-A192 PolarHBondContact O-N 3.12Å |
| 189 | L | 98.7 | Very high | 97.5 | Very high | 17 Ų | 17 | 27 Ų | 27 | 9% | 0.089 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 176.1 | 178.7 | 60.8 | 0 | 0 | 0 | 111.7 | I165 I168 V185 W186 T191 A192 V193 | I165-L189 HydrophobicContact CG1-CD1 4.22Å; I168-L189 HydrophobicContact CB-CD1 4.39Å; I168-L189 HydrophobicContact CD1-CB 3.9Å; I168-L189 HydrophobicContact CD1-CD1 4.46Å; I168-L189 HydrophobicContact CG2-CB 4.29Å; I168-L189 HydrophobicContact CG2-CD1 4.29Å; I168-L189 HydrophobicContact CG2-CD2 4.06Å; I168-L189 HydrophobicContact CG2-CG 4.45Å; V185-L189 WeakPolarHBondContact O-CB 3.31Å; V185-L189 PolarHBondContact O-N 3.29Å; W186-L189 HydrophobicContact CE3-CD2 4.09Å; W186-L189 HydrophobicContact CZ3-CD2 4.08Å; W186-L189 PolarHBondContact O-N 3.49Å; L189-T191 VanDerWaalsContact C-N 3.34Å; L189-A192 PolarHBondContact O-N 3.44Å; L189-V193 WeakPolarHBondContact O-CG2 3.4Å; L189-V193 PolarHBondContact O-N 3.22Å |
| 190 | I | 98.8 | Very high | 98 | Very high | 15 Ų | 15 | 23.5 Ų | 23.5 | 8% | 0.077 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.5 | -46.5 | 178.3 | -63.2 | 160.9 | 0 | 0 | 0 | 109.3 | W186 A192 V193 L194 L248 M277 M278 | W186-I190 WeakPolarHBondContact O-CD1 3.39Å; W186-I190 VanDerWaalsContact O-CG1 3.31Å; W186-I190 WeakPolarHBondContact O-CG1 3.44Å; W186-I190 PolarHBondContact O-N 3.33Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.24Å; I190-V193 PolarHBondContact O-N 3.45Å; I190-V193 VanDerWaalsContact O-N 3.12Å; I190-L194 HydrophobicContact CG2-CG 4.44Å; I190-L194 WeakPolarHBondContact O-CG 3.33Å; I190-L194 PolarHBondContact O-N 2.96Å; I190-L248 HydrophobicContact CB-CD1 4.42Å; I190-L248 HydrophobicContact CG2-CD1 3.73Å; I190-M277 HydrophobicContact CD1-CB 3.44Å; I190-M277 VanDerWaalsContact CD1-CB 3.44Å; I190-M278 HydrophobicContact CD1-CG 3.79Å; I190-M278 HydrophobicContact CG1-CG 4.21Å |
| 191 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 178 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | I75 S187 V188 L189 V193 L194 L195 I245 L248 P249 | I75-T191 HydrophobicContact CD1-CG2 3.47Å; I75-T191 VanDerWaalsContact CD1-CG2 3.47Å; I75-T191 HydrophobicContact CG1-CG2 3.84Å; S187-T191 WeakPolarHBondContact O-CB 3.38Å; S187-T191 PolarHBondContact O-N 2.9Å; S187-T191 PolarHBondContact O-OG1 2.91Å; V188-T191 PolarHBondContact O-N 2.71Å; L189-T191 VanDerWaalsContact C-N 3.34Å; T191-V193 PolarHBondContact O-N 3.41Å; T191-L194 PolarHBondContact O-N 3.43Å; T191-L195 HydrophobicContact CG2-CD1 4.2Å; T191-L195 WeakPolarHBondContact O-CG 3.4Å; T191-L195 PolarHBondContact O-N 3.48Å; T191-I245 HydrophobicContact CG2-CB 3.88Å; T191-I245 HydrophobicContact CG2-CG1 3.97Å; T191-I245 HydrophobicContact CG2-CG2 3.55Å; T191-L248 WeakPolarHBondContact OG1-CB 3.37Å; T191-P249 HydrophobicContact CG2-CG 4.32Å |
| 192 | A | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.6 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | A161 F164 I165 V188 L189 I190 L195 L196 | A161-A192 HydrophobicContact CB-CB 4.06Å; A161-A192 WeakPolarHBondContact CB-O 3.3Å; F164-A192 HydrophobicContact CB-CB 4.02Å; I165-A192 HydrophobicContact CD1-CB 4.16Å; I165-A192 HydrophobicContact CG1-CB 3.75Å; V188-A192 WeakPolarHBondContact O-CB 3.49Å; V188-A192 PolarHBondContact O-N 3.12Å; L189-A192 PolarHBondContact O-N 3.44Å; I190-A192 VanDerWaalsContact C-N 3.32Å; I190-A192 PolarHBondContact O-N 3.24Å; A192-L195 PolarHBondContact O-N 3.46Å; A192-L196 WeakPolarHBondContact O-CB 3.4Å; A192-L196 PolarHBondContact O-N 3.05Å |
| 193 | V | 98.8 | Very high | 98.5 | Very high | 59 Ų | 59 | 20.3 Ų | 20.3 | 36% | 0.358 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -64.4 | -43.7 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | I165 L189 I190 T191 L196 L197 | I165-V193 HydrophobicContact CD1-CG2 4.07Å; I165-V193 HydrophobicContact CG1-CG2 4.3Å; L189-V193 WeakPolarHBondContact O-CG2 3.4Å; L189-V193 PolarHBondContact O-N 3.22Å; I190-V193 PolarHBondContact O-N 3.45Å; I190-V193 VanDerWaalsContact O-N 3.12Å; T191-V193 PolarHBondContact O-N 3.41Å; V193-L196 PolarHBondContact O-N 2.92Å; V193-L197 HydrophobicContact CG1-CD1 3.93Å; V193-L197 WeakPolarHBondContact O-CG 3.32Å; V193-L197 PolarHBondContact O-N 2.9Å; V193-L197 VanDerWaalsContact O-N 3.16Å |
| 194 | L | 98.6 | Very high | 98.5 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.026 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -49.5 | 175.8 | -62.8 | -174.5 | 0 | 0 | 0 | 111 | I190 T191 L196 L197 S198 I245 L248 G281 F285 | I190-L194 HydrophobicContact CG2-CG 4.44Å; I190-L194 WeakPolarHBondContact O-CG 3.33Å; I190-L194 PolarHBondContact O-N 2.96Å; T191-L194 PolarHBondContact O-N 3.43Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 PolarHBondContact O-N 3.48Å; L194-L197 PolarHBondContact O-N 3.33Å; L194-L197 VanDerWaalsContact O-N 3.17Å; L194-S198 VanDerWaalsContact O-CB 3.29Å; L194-S198 WeakPolarHBondContact O-CB 3.36Å; L194-S198 PolarHBondContact O-N 2.93Å; L194-S198 PolarHBondContact O-OG 3.36Å; L194-I245 HydrophobicContact CB-CD1 3.72Å; L194-I245 HydrophobicContact CB-CG1 3.56Å; L194-I245 HydrophobicContact CD1-CG1 3.99Å; L194-I245 HydrophobicContact CG-CG1 4.41Å; L194-L248 HydrophobicContact CD1-CD1 3.64Å; L194-G281 WeakPolarHBondContact CD2-O 3.26Å; L194-F285 HydrophobicContact CD2-CD2 4.06Å; L194-F285 HydrophobicContact CD2-CE2 3.38Å; L194-F285 HydrophobicContact CD2-CZ 4.14Å |
| 195 | L | 98.4 | Very high | 98.5 | Very high | 2 Ų | 2 | 22 Ų | 22 | 1% | 0.01 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -56.3 | -45.9 | 179 | -77.9 | 167.4 | 0 | 0 | 0 | 112 | M71 A161 T191 A192 L197 L199 I245 | M71-L195 HydrophobicContact SD-CD2 4.13Å; A161-L195 HydrophobicContact CB-CB 4.01Å; T191-L195 HydrophobicContact CG2-CD1 4.2Å; T191-L195 WeakPolarHBondContact O-CG 3.4Å; T191-L195 PolarHBondContact O-N 3.48Å; A192-L195 PolarHBondContact O-N 3.46Å; L195-L197 VanDerWaalsContact C-N 3.28Å; L195-L197 PolarHBondContact O-N 3.04Å; L195-L199 HydrophobicContact CB-CD1 4.29Å; L195-L199 HydrophobicContact CD2-CD1 3.69Å; L195-L199 HydrophobicContact CD2-CG 4.2Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 WeakPolarHBondContact O-CG 3.39Å; L195-L199 PolarHBondContact O-N 3.26Å; L195-L199 VanDerWaalsContact O-N 3.13Å; L195-I245 HydrophobicContact CB-CD1 4.44Å; L195-I245 HydrophobicContact CD1-CG2 4.32Å; L195-I245 HydrophobicContact CD2-CD1 3.7Å; L195-I245 HydrophobicContact CD2-CG1 4.36Å; L195-I245 HydrophobicContact CD2-CG2 3.83Å; L195-I245 HydrophobicContact CG-CD1 3.77Å; L195-I245 HydrophobicContact CG-CG1 4.1Å; L195-I245 HydrophobicContact CG-CG2 3.97Å |
| 196 | L | 98.3 | Very high | 98.5 | Very high | 64 Ų | 64 | 22.2 Ų | 22.2 | 34% | 0.335 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -63.7 | -34.3 | -179 | -175.4 | 62.3 | 0 | 0 | 0 | 112.5 | I158 I162 I165 A192 V193 L194 P200 | I158-L196 HydrophobicContact CG2-CD1 4.17Å; I162-L196 HydrophobicContact CD1-CD1 4.34Å; I162-L196 HydrophobicContact CG1-CD1 3.95Å; I165-L196 HydrophobicContact CD1-CD2 3.92Å; A192-L196 WeakPolarHBondContact O-CB 3.4Å; A192-L196 PolarHBondContact O-N 3.05Å; V193-L196 PolarHBondContact O-N 2.92Å; L194-L196 VanDerWaalsContact C-N 3.33Å; L194-L196 PolarHBondContact O-N 3.48Å; L196-P200 WeakPolarHBondContact O-CD 3.27Å; L196-P200 WeakPolarHBondContact O-CG 3.24Å |
| 197 | L | 98.3 | Very high | 98.6 | Very high | 97 Ų | 97 | 24.1 Ų | 24.1 | 51% | 0.508 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -89.1 | -31.4 | -178 | -65.4 | 178 | 0 | 0 | 0 | 113.3 | V193 L194 L195 F285 | V193-L197 HydrophobicContact CG1-CD1 3.93Å; V193-L197 WeakPolarHBondContact O-CG 3.32Å; V193-L197 PolarHBondContact O-N 2.9Å; V193-L197 VanDerWaalsContact O-N 3.16Å; L194-L197 PolarHBondContact O-N 3.33Å; L194-L197 VanDerWaalsContact O-N 3.17Å; L195-L197 VanDerWaalsContact C-N 3.28Å; L195-L197 PolarHBondContact O-N 3.04Å; L197-F285 HydrophobicContact CB-CE1 4.26Å; L197-F285 HydrophobicContact CB-CE2 4.18Å; L197-F285 HydrophobicContact CB-CZ 3.58Å; L197-F285 HydrophobicContact CD1-CE2 4.18Å; L197-F285 HydrophobicContact CD1-CZ 4.41Å |
| 198 | S | 97.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -90.7 | -41.1 | -173.6 | 69.7 | 0 | 0 | 0 | 0 | 113.5 | L194 P200 V201 L202 | L194-S198 VanDerWaalsContact O-CB 3.29Å; L194-S198 WeakPolarHBondContact O-CB 3.36Å; L194-S198 PolarHBondContact O-N 2.93Å; L194-S198 PolarHBondContact O-OG 3.36Å; S198-P200 VanDerWaalsContact C-CD 3.5Å; S198-V201 WeakPolarHBondContact O-CB 3.22Å; S198-V201 PolarHBondContact O-N 3.27Å; S198-V201 VanDerWaalsContact O-N 3.1Å; S198-L202 PolarHBondContact O-N 3.12Å |
| 199 | L | 97.8 | Very high | 98.6 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 2% | 0.016 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.8 | -35 | -175 | -75.5 | 173 | 0 | 0 | 0 | 114.9 | S157 I158 L195 V201 L202 A203 F238 | S157-L199 VanDerWaalsContact CB-CD1 3.45Å; I158-L199 HydrophobicContact CD1-CB 3.95Å; I158-L199 HydrophobicContact CG1-CB 3.95Å; I158-L199 HydrophobicContact CG1-CD1 3.85Å; L195-L199 HydrophobicContact CB-CD1 4.29Å; L195-L199 HydrophobicContact CD2-CD1 3.69Å; L195-L199 HydrophobicContact CD2-CG 4.2Å; L195-L199 VanDerWaalsContact O-CB 3.32Å; L195-L199 WeakPolarHBondContact O-CB 3.39Å; L195-L199 WeakPolarHBondContact O-CG 3.39Å; L195-L199 PolarHBondContact O-N 3.26Å; L195-L199 VanDerWaalsContact O-N 3.13Å; L199-V201 PolarHBondContact O-N 2.94Å; L199-L202 HydrophobicContact CD2-CD2 4.3Å; L199-L202 PolarHBondContact O-N 2.94Å; L199-A203 WeakPolarHBondContact O-CB 3.44Å; L199-A203 PolarHBondContact O-N 2.86Å; L199-F238 HydrophobicContact CD2-CD2 4.07Å; L199-F238 HydrophobicContact CD2-CE2 3.5Å; L199-F238 HydrophobicContact CD2-CZ 4.3Å; L199-F238 HydrophobicContact CG-CE2 4.35Å |
| 200 | P | 98.6 | Very high | 98.6 | Very high | 65 Ų | 65 | 27.2 Ų | 27.2 | 42% | 0.422 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -58.3 | -32.2 | 173.9 | -27.3 | 36.7 | 0 | 0 | 0 | 113.4 | L196 S198 A204 | L196-P200 WeakPolarHBondContact O-CD 3.27Å; L196-P200 WeakPolarHBondContact O-CG 3.24Å; S198-P200 VanDerWaalsContact C-CD 3.5Å; P200-A204 WeakPolarHBondContact O-CB 3.43Å; P200-A204 PolarHBondContact O-N 3.25Å |
| 201 | V | 98.7 | Very high | 98.6 | Very high | 36 Ų | 36 | 27.7 Ų | 27.7 | 22% | 0.218 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.6 | -41.4 | 178.7 | -175.2 | 0 | 0 | 0 | 0 | 111.2 | S198 L199 A204 G205 L234 F237 | S198-V201 WeakPolarHBondContact O-CB 3.22Å; S198-V201 PolarHBondContact O-N 3.27Å; S198-V201 VanDerWaalsContact O-N 3.1Å; L199-V201 PolarHBondContact O-N 2.94Å; V201-A204 PolarHBondContact O-N 3.15Å; V201-G205 PolarHBondContact O-N 3.06Å; V201-L234 HydrophobicContact CG1-CB 4.32Å; V201-L234 HydrophobicContact CG1-CD2 3.86Å; V201-F237 HydrophobicContact CB-CD1 3.97Å; V201-F237 HydrophobicContact CG1-CB 4.32Å; V201-F237 HydrophobicContact CG1-CD1 3.85Å; V201-F237 HydrophobicContact CG1-CG 4.42Å; V201-F237 HydrophobicContact CG2-CD1 3.68Å; V201-F237 HydrophobicContact CG2-CE1 3.77Å |
| 202 | L | 98.4 | Very high | 98.5 | Very high | 7 Ų | 7 | 29.1 Ų | 29.1 | 4% | 0.037 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.6 | -53.4 | 170.7 | 176.5 | 66.3 | 0 | 0 | 0 | 110.3 | S198 L199 A204 G205 I206 F235 F238 | S198-L202 PolarHBondContact O-N 3.12Å; L199-L202 HydrophobicContact CD2-CD2 4.3Å; L199-L202 PolarHBondContact O-N 2.94Å; L202-A204 VanDerWaalsContact C-N 3.26Å; L202-A204 PolarHBondContact O-N 3.46Å; L202-G205 PolarHBondContact O-N 3.04Å; L202-I206 HydrophobicContact CD1-CG2 3.85Å; L202-I206 HydrophobicContact CG-CD1 4.41Å; L202-I206 HydrophobicContact CG-CG2 4.43Å; L202-I206 WeakPolarHBondContact O-CG1 3.28Å; L202-I206 PolarHBondContact O-N 3.35Å; L202-F235 HydrophobicContact CD1-CD2 4.03Å; L202-F235 HydrophobicContact CD1-CE2 4.19Å; L202-F238 HydrophobicContact CB-CB 3.89Å; L202-F238 HydrophobicContact CB-CD1 3.89Å; L202-F238 HydrophobicContact CB-CD2 3.92Å; L202-F238 HydrophobicContact CB-CE1 4.45Å; L202-F238 HydrophobicContact CB-CE2 4.49Å; L202-F238 HydrophobicContact CB-CG 3.59Å; L202-F238 HydrophobicContact CD1-CD1 3.78Å; L202-F238 HydrophobicContact CD1-CE1 4.09Å; L202-F238 HydrophobicContact CD1-CG 4.37Å; L202-F238 HydrophobicContact CD2-CD1 3.96Å; L202-F238 HydrophobicContact CD2-CD2 4.33Å; L202-F238 HydrophobicContact CD2-CE1 3.68Å; L202-F238 HydrophobicContact CD2-CE2 4.08Å; L202-F238 HydrophobicContact CD2-CG 4.29Å; L202-F238 HydrophobicContact CD2-CZ 3.74Å; L202-F238 HydrophobicContact CG-CD1 4.07Å; L202-F238 HydrophobicContact CG-CE1 4.28Å; L202-F238 HydrophobicContact CG-CG 4.29Å |
| 203 | A | 98.6 | Very high | 98.5 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 26% | 0.264 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -55.6 | -42.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L199 T207 | L199-A203 WeakPolarHBondContact O-CB 3.44Å; L199-A203 PolarHBondContact O-N 2.86Å; A203-T207 WeakPolarHBondContact O-CB 3.25Å; A203-T207 PolarHBondContact O-N 3.37Å; A203-T207 PolarHBondContact O-OG1 3.25Å |
| 204 | A | 98.8 | Very high | 98.5 | Very high | 38 Ų | 38 | 30.6 Ų | 30.6 | 31% | 0.314 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61 | -50.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | P200 V201 L202 T207 M208 | P200-A204 WeakPolarHBondContact O-CB 3.43Å; P200-A204 PolarHBondContact O-N 3.25Å; V201-A204 PolarHBondContact O-N 3.15Å; L202-A204 VanDerWaalsContact C-N 3.26Å; L202-A204 PolarHBondContact O-N 3.46Å; A204-T207 PolarHBondContact O-N 2.92Å; A204-M208 HydrophobicContact CB-CE 4.38Å; A204-M208 VanDerWaalsContact O-CG 3.27Å; A204-M208 WeakPolarHBondContact O-CG 3.34Å; A204-M208 PolarHBondContact O-N 3.48Å |
| 205 | G | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.5 | -45.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V201 L202 M208 L209 | V201-G205 PolarHBondContact O-N 3.06Å; L202-G205 PolarHBondContact O-N 3.04Å; G205-M208 PolarHBondContact O-N 3.34Å; G205-L209 PolarHBondContact O-N 3.31Å |
| 206 | I | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 43.4 Ų | 43.4 | 2% | 0.015 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -74.6 | -26.2 | 178.4 | 65.7 | 175.1 | 0 | 0 | 0 | 112.5 | I147 L150 H151 L202 L209 L210 | I147-I206 HydrophobicContact CG1-CB 4.36Å; I147-I206 HydrophobicContact CG2-CB 4.08Å; I147-I206 HydrophobicContact CG2-CD1 4.23Å; I147-I206 HydrophobicContact CG2-CG1 4.18Å; L150-I206 HydrophobicContact CB-CD1 3.83Å; H151-I206 VanDerWaalsContact CE1-CG1 3.43Å; H151-I206 WeakPolarHBondContact CE1-CG1 3.49Å; L202-I206 HydrophobicContact CD1-CG2 3.85Å; L202-I206 HydrophobicContact CG-CD1 4.41Å; L202-I206 HydrophobicContact CG-CG2 4.43Å; L202-I206 WeakPolarHBondContact O-CG1 3.28Å; L202-I206 PolarHBondContact O-N 3.35Å; I206-L209 PolarHBondContact O-N 3.4Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 PolarHBondContact O-N 2.98Å |
| 207 | T | 98.8 | Very high | 98.3 | Very high | 60 Ų | 60 | 42.5 Ų | 42.5 | 37% | 0.368 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -68.5 | -46.3 | 169.9 | -63.4 | 0 | 0 | 0 | 0 | 110.9 | H151 A203 A204 L209 L210 T211 | H151-T207 PolarHBondContact NE2-OG1 3.24Å; A203-T207 WeakPolarHBondContact O-CB 3.25Å; A203-T207 PolarHBondContact O-N 3.37Å; A203-T207 PolarHBondContact O-OG1 3.25Å; A204-T207 PolarHBondContact O-N 2.92Å; T207-L209 PolarHBondContact O-N 3.21Å; T207-L210 WeakPolarHBondContact O-CB 3.38Å; T207-L210 PolarHBondContact O-N 2.64Å; T207-L210 VanDerWaalsContact O-N 3.08Å; T207-T211 HydrophobicContact CG2-CG2 4.46Å; T207-T211 WeakPolarHBondContact O-CG2 3.32Å; T207-T211 PolarHBondContact O-N 3.2Å; T207-T211 PolarHBondContact O-OG1 3.28Å |
| 208 | M | 98.8 | Very high | 98.3 | Very high | 51 Ų | 51 | 40.9 Ų | 40.9 | 25% | 0.251 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -56.5 | -40.5 | 174 | -70.8 | 170.2 | -167.5 | 0 | 0 | 111 | A204 G205 T211 D212 F219 F220 L234 | A204-M208 HydrophobicContact CB-CE 4.38Å; A204-M208 VanDerWaalsContact O-CG 3.27Å; A204-M208 WeakPolarHBondContact O-CG 3.34Å; A204-M208 PolarHBondContact O-N 3.48Å; G205-M208 PolarHBondContact O-N 3.34Å; M208-T211 PolarHBondContact O-N 2.82Å; M208-T211 PolarHBondContact O-OG1 3.32Å; M208-D212 PolarHBondContact O-N 2.64Å; M208-F219 HydrophobicContact CB-CB 4.18Å; M208-F219 HydrophobicContact CB-CD2 3.7Å; M208-F219 HydrophobicContact CB-CE2 4.21Å; M208-F219 HydrophobicContact CB-CG 3.89Å; M208-F219 HydrophobicContact CG-CD1 4.11Å; M208-F219 HydrophobicContact CG-CD2 3.87Å; M208-F219 HydrophobicContact CG-CE1 4.2Å; M208-F219 HydrophobicContact CG-CE2 3.98Å; M208-F219 HydrophobicContact CG-CG 3.95Å; M208-F219 HydrophobicContact CG-CZ 4.14Å; M208-F219 HydrophobicContact SD-CD1 4.08Å; M208-F219 HydrophobicContact SD-CE1 4.38Å; M208-F219 HydrophobicContact SD-CG 4.31Å; M208-F220 HydrophobicContact CB-CE2 3.58Å; M208-F220 HydrophobicContact CB-CZ 3.62Å; M208-F220 HydrophobicContact CG-CZ 4.47Å; M208-F220 HydrophobicContact SD-CZ 4.05Å; M208-L234 HydrophobicContact SD-CD1 3.9Å |
| 209 | L | 98.8 | Very high | 98.3 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 176.4 | 179.5 | 62.5 | 0 | 0 | 0 | 111.2 | V128 P130 A133 I147 G205 I206 T207 T211 D212 R213 F220 Y231 | V128-L209 HydrophobicContact CG1-CD2 3.8Å; P130-L209 HydrophobicContact CB-CD1 4.12Å; P130-L209 HydrophobicContact CG-CD1 4.4Å; A133-L209 HydrophobicContact CB-CD1 4.43Å; A133-L209 HydrophobicContact CB-CD2 3.9Å; I147-L209 HydrophobicContact CD1-CB 4.48Å; I147-L209 HydrophobicContact CD1-CD2 4.13Å; I147-L209 HydrophobicContact CD1-CG 4.19Å; G205-L209 PolarHBondContact O-N 3.31Å; I206-L209 PolarHBondContact O-N 3.4Å; T207-L209 PolarHBondContact O-N 3.21Å; L209-T211 VanDerWaalsContact C-N 3.3Å; L209-T211 PolarHBondContact O-N 3.33Å; L209-D212 PolarHBondContact O-N 3Å; L209-R213 HydrophobicContact CD1-CG 4.49Å; L209-R213 VanDerWaalsContact O-CG 3.25Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.37Å; L209-F220 HydrophobicContact CB-CD2 4.34Å; L209-F220 HydrophobicContact CB-CE2 4.01Å; L209-F220 HydrophobicContact CD1-CD2 4.32Å; L209-Y231 HydrophobicContact CB-CE2 4.15Å; L209-Y231 HydrophobicContact CD2-CE2 3.95Å |
| 210 | L | 98.7 | Very high | 98.4 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.147 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -39 | 176.1 | -171.1 | 69 | 0 | 0 | 0 | 111.8 | D144 I147 F148 I206 T207 R213 N214 | D144-L210 HydrophobicContact CB-CD1 3.87Å; D144-L210 WeakPolarHBondContact OD1-CD1 3.23Å; I147-L210 HydrophobicContact CB-CD1 4.47Å; I147-L210 HydrophobicContact CD1-CB 4.13Å; I147-L210 HydrophobicContact CD1-CD1 4.12Å; I147-L210 HydrophobicContact CG2-CB 4.19Å; I147-L210 HydrophobicContact CG2-CD1 4.33Å; I147-L210 HydrophobicContact CG2-CD2 4.31Å; F148-L210 HydrophobicContact CE1-CD2 3.84Å; F148-L210 HydrophobicContact CZ-CD1 4.49Å; F148-L210 HydrophobicContact CZ-CD2 3.93Å; I206-L210 WeakPolarHBondContact O-CB 3.48Å; I206-L210 PolarHBondContact O-N 2.98Å; T207-L210 WeakPolarHBondContact O-CB 3.38Å; T207-L210 PolarHBondContact O-N 2.64Å; T207-L210 VanDerWaalsContact O-N 3.08Å; L210-R213 PolarHBondContact O-N 3.43Å; L210-N214 WeakPolarHBondContact CD1-ND2 3.45Å; L210-N214 WeakPolarHBondContact O-CB 3.29Å; L210-N214 PolarHBondContact O-N 3.25Å; L210-N214 PolarHBondContact O-ND2 3.35Å |
| 211 | T | 98.6 | Very high | 98.3 | Very high | 25 Ų | 25 | 44.4 Ų | 44.4 | 15% | 0.153 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.6 | -34.6 | 176.8 | 62.8 | 0 | 0 | 0 | 0 | 112.3 | T207 M208 L209 R213 N214 L215 N216 T217 | T207-T211 HydrophobicContact CG2-CG2 4.46Å; T207-T211 WeakPolarHBondContact O-CG2 3.32Å; T207-T211 PolarHBondContact O-N 3.2Å; T207-T211 PolarHBondContact O-OG1 3.28Å; M208-T211 PolarHBondContact O-N 2.82Å; M208-T211 PolarHBondContact O-OG1 3.32Å; L209-T211 VanDerWaalsContact C-N 3.3Å; L209-T211 PolarHBondContact O-N 3.33Å; T211-R213 PolarHBondContact O-N 2.84Å; T211-N214 PolarHBondContact O-N 3.48Å; T211-L215 HydrophobicContact CG2-CD1 3.84Å; T211-L215 CarbonylContact O-C 3.58Å; T211-L215 WeakPolarHBondContact O-CA 3.16Å; T211-L215 PolarHBondContact O-N 3.04Å; T211-N216 PolarHBondContact O-N 3.06Å; T211-T217 VanDerWaalsContact CB-OG1 3.31Å; T211-T217 WeakPolarHBondContact CB-OG1 3.47Å; T211-T217 PolarHBondContact O-N 3.46Å; T211-T217 PolarHBondContact O-OG1 2.9Å; T211-T217 PolarHBondContact OG1-OG1 2.85Å |
| 212 | D | 98.4 | Very high | 98.2 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.2 | -36.9 | 172.8 | -84.7 | 16.4 | 0 | 0 | 0 | 110.7 | M208 L209 T217 T218 F219 F220 | M208-D212 PolarHBondContact O-N 2.64Å; L209-D212 PolarHBondContact O-N 3Å; D212-T217 WeakPolarHBondContact CA-O 3.37Å; D212-T217 WeakPolarHBondContact CA-OG1 3.48Å; D212-T217 PolarHBondContact N-OG1 3.46Å; D212-T217 WeakPolarHBondContact OD1-CB 3.28Å; D212-T217 VanDerWaalsContact OD1-O 3.1Å; D212-T217 PolarHBondContact OD1-OG1 2.93Å; D212-T218 WeakPolarHBondContact OD1-CA 3.3Å; D212-T218 PolarHBondContact OD1-N 2.84Å; D212-T218 VanDerWaalsContact OD1-N 3.13Å; D212-F219 VanDerWaalsContact CG-N 3.32Å; D212-F219 WeakPolarHBondContact OD1-CD2 3.5Å; D212-F219 PolarHBondContact OD1-N 3.4Å; D212-F219 PolarHBondContact OD2-N 2.94Å; D212-F220 PolarHBondContact OD2-N 3.12Å |
| 213 | R | 97.9 | Very high | 98 | Very high | 7 Ų | 7 | 50.6 Ų | 50.6 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.2 | -41.7 | 175 | -68.5 | 173 | 60.5 | 65.6 | 16.5 | 113 | A133 N135 H138 G140 D144 L209 L210 T211 | A133-R213 WeakPolarHBondContact O-CD 3.29Å; A133-R213 PolarHBondContact O-NH1 3.31Å; N135-R213 PolarHBondContact ND2-O 3.29Å; N135-R213 VanDerWaalsContact OD1-CZ 3.29Å; N135-R213 PolarHBondContact OD1-NH1 3Å; N135-R213 PolarHBondContact OD1-NH2 3.35Å; H138-R213 PolarHBondContact O-NH1 3.35Å; H138-R213 PolarHBondContact O-NH2 3.45Å; H138-R213 VanDerWaalsContact O-NH2 3.1Å; G140-R213 PolarHBondContact O-NH2 3.37Å; D144-R213 IonicContact OD1-CZ 3.35Å; D144-R213 IonicContact OD1-NE 3.62Å; D144-R213 PolarHBondContact OD1-NE 3.43Å; D144-R213 IonicContact OD1-NH2 3.39Å; D144-R213 IonicContact OD2-NH2 3.01Å; L209-R213 HydrophobicContact CD1-CG 4.49Å; L209-R213 VanDerWaalsContact O-CG 3.25Å; L209-R213 WeakPolarHBondContact O-CG 3.36Å; L209-R213 PolarHBondContact O-N 3.37Å; L210-R213 PolarHBondContact O-N 3.43Å; T211-R213 PolarHBondContact O-N 2.84Å |
| 214 | N | 98.3 | Very high | 97.9 | Very high | 84 Ų | 84 | 51 Ų | 51 | 45% | 0.449 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -116.3 | -18.3 | -163.5 | -65.5 | -76.4 | 0 | 0 | 0 | 115.2 | D144 L210 T211 | D144-N214 PolarHBondContact OD1-ND2 3.38Å; L210-N214 WeakPolarHBondContact CD1-ND2 3.45Å; L210-N214 WeakPolarHBondContact O-CB 3.29Å; L210-N214 PolarHBondContact O-N 3.25Å; L210-N214 PolarHBondContact O-ND2 3.35Å; T211-N214 PolarHBondContact O-N 3.48Å |
| 215 | L | 97.9 | Very high | 97.8 | Very high | 122 Ų | 122 | 52.7 Ų | 52.7 | 64% | 0.639 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -124.4 | 15.2 | -171.4 | -58.2 | -178.1 | 0 | 0 | 0 | 113.3 | T211 T217 | T211-L215 HydrophobicContact CG2-CD1 3.84Å; T211-L215 CarbonylContact O-C 3.58Å; T211-L215 WeakPolarHBondContact O-CA 3.16Å; T211-L215 PolarHBondContact O-N 3.04Å; L215-T217 PolarHBondContact O-N 2.86Å |
| 216 | N | 96.2 | Very high | 97.7 | Very high | 154 Ų | 154 | 53.3 Ų | 53.3 | 82% | 0.824 | 33% | 0.334 | S | S | * | . | trans | 55.7 | 30.6 | 179.2 | -57 | -52.2 | 0 | 0 | 0 | 114.1 | T211 | T211-N216 PolarHBondContact O-N 3.06Š| ||
| 217 | T | 98.1 | Very high | 97.7 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 28% | 0.282 | 35% | 0.352 | S | S | . | . | trans | -77.4 | 166 | 165 | 63.8 | 0 | 0 | 0 | 0 | 110 | T211 D212 L215 F219 | T211-T217 VanDerWaalsContact CB-OG1 3.31Å; T211-T217 WeakPolarHBondContact CB-OG1 3.47Å; T211-T217 PolarHBondContact O-N 3.46Å; T211-T217 PolarHBondContact O-OG1 2.9Å; T211-T217 PolarHBondContact OG1-OG1 2.85Å; D212-T217 WeakPolarHBondContact CA-O 3.37Å; D212-T217 WeakPolarHBondContact CA-OG1 3.48Å; D212-T217 PolarHBondContact N-OG1 3.46Å; D212-T217 WeakPolarHBondContact OD1-CB 3.28Å; D212-T217 VanDerWaalsContact OD1-O 3.1Å; D212-T217 PolarHBondContact OD1-OG1 2.93Å; L215-T217 PolarHBondContact O-N 2.86Å; T217-F219 HydrophobicContact CG2-CE2 4.25Å | ||
| 218 | T | 97.8 | Very high | 97.6 | Very high | 63 Ų | 63 | 55 Ų | 55 | 39% | 0.387 | 34% | 0.342 | S | S | . | . | trans | -138 | 49.7 | -177 | 58.6 | 0 | 0 | 0 | 0 | 111.4 | D212 F220 D221 G224 G226 | D212-T218 WeakPolarHBondContact OD1-CA 3.3Å; D212-T218 PolarHBondContact OD1-N 2.84Å; D212-T218 VanDerWaalsContact OD1-N 3.13Å; T218-F220 VanDerWaalsContact C-N 3.33Å; T218-D221 HydrophobicContact CG2-CB 4.48Å; T218-G224 PolarHBondContact OG1-O 3.49Å; T218-G226 VanDerWaalsContact O-CA 3.25Å; T218-G226 WeakPolarHBondContact O-CA 3.37Å; T218-G226 PolarHBondContact O-N 3.03Å | ||
| 219 | F | 98.6 | Very high | 97.6 | Very high | 88 Ų | 88 | 55.2 Ų | 55.2 | 39% | 0.386 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -63 | -40.4 | 176.3 | -72.7 | -76.1 | 0 | 0 | 0 | 112 | M208 D212 T217 G226 D227 | M208-F219 HydrophobicContact CB-CB 4.18Å; M208-F219 HydrophobicContact CB-CD2 3.7Å; M208-F219 HydrophobicContact CB-CE2 4.21Å; M208-F219 HydrophobicContact CB-CG 3.89Å; M208-F219 HydrophobicContact CG-CD1 4.11Å; M208-F219 HydrophobicContact CG-CD2 3.87Å; M208-F219 HydrophobicContact CG-CE1 4.2Å; M208-F219 HydrophobicContact CG-CE2 3.98Å; M208-F219 HydrophobicContact CG-CG 3.95Å; M208-F219 HydrophobicContact CG-CZ 4.14Å; M208-F219 HydrophobicContact SD-CD1 4.08Å; M208-F219 HydrophobicContact SD-CE1 4.38Å; M208-F219 HydrophobicContact SD-CG 4.31Å; D212-F219 VanDerWaalsContact CG-N 3.32Å; D212-F219 WeakPolarHBondContact OD1-CD2 3.5Å; D212-F219 PolarHBondContact OD1-N 3.4Å; D212-F219 PolarHBondContact OD2-N 2.94Å; T217-F219 HydrophobicContact CG2-CE2 4.25Å; F219-G226 WeakPolarHBondContact O-CA 3.2Å; F219-D227 PolarHBondContact O-N 3.4Å; F219-D227 VanDerWaalsContact O-N 3.07Å |
| 220 | F | 98.4 | Very high | 97.6 | Very high | 2 Ų | 2 | 58.5 Ų | 58.5 | 1% | 0.009 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -118.7 | -3.9 | -173 | -48.6 | -54.3 | 0 | 0 | 0 | 113.7 | P130 M208 L209 D212 T218 P222 P228 L230 Y231 L234 | P130-F220 HydrophobicContact CB-CB 3.89Å; P130-F220 HydrophobicContact CG-CB 3.56Å; P130-F220 HydrophobicContact CG-CD2 4Å; P130-F220 HydrophobicContact CG-CG 3.82Å; M208-F220 HydrophobicContact CB-CE2 3.58Å; M208-F220 HydrophobicContact CB-CZ 3.62Å; M208-F220 HydrophobicContact CG-CZ 4.47Å; M208-F220 HydrophobicContact SD-CZ 4.05Å; L209-F220 HydrophobicContact CB-CD2 4.34Å; L209-F220 HydrophobicContact CB-CE2 4.01Å; L209-F220 HydrophobicContact CD1-CD2 4.32Å; D212-F220 PolarHBondContact OD2-N 3.12Å; T218-F220 VanDerWaalsContact C-N 3.33Å; F220-P222 WeakPolarHBondContact O-CD 3.24Å; F220-P228 WeakPolarHBondContact O-CD 3.43Å; F220-P228 VanDerWaalsContact O-CG 3.28Å; F220-P228 WeakPolarHBondContact O-CG 3.5Å; F220-L230 HydrophobicContact CD1-CB 4.36Å; F220-L230 HydrophobicContact CE1-CB 4.28Å; F220-L230 HydrophobicContact CE1-CD2 4.13Å; F220-L230 HydrophobicContact CE1-CG 4.07Å; F220-Y231 HydrophobicContact CD2-CD2 4.09Å; F220-Y231 HydrophobicContact CE1-CD2 4.26Å; F220-Y231 HydrophobicContact CE1-CG 4.48Å; F220-Y231 AromaticContact CE2-CD2 3.6Å; F220-Y231 HydrophobicContact CE2-CD2 3.6Å; F220-Y231 HydrophobicContact CE2-CE2 4.47Å; F220-Y231 HydrophobicContact CE2-CG 4.46Å; F220-Y231 AromaticContact CZ-CD2 3.7Å; F220-Y231 HydrophobicContact CZ-CD2 3.7Å; F220-Y231 HydrophobicContact CZ-CG 4.35Å; F220-L234 HydrophobicContact CE1-CD1 4.26Å; F220-L234 HydrophobicContact CZ-CD1 4.2Å |
| 221 | D | 96.9 | Very high | 97.6 | Very high | 51 Ų | 51 | 57.2 Ų | 57.2 | 27% | 0.273 | 35% | 0.354 | S | S | . | . | trans | -87.8 | 112.5 | 177.7 | -174.8 | -3.4 | 0 | 0 | 0 | 111.5 | T218 A223 G224 G225 G226 | T218-D221 HydrophobicContact CG2-CB 4.48Å; D221-A223 PolarHBondContact O-N 3.28Å; D221-A223 WeakPolarHBondContact OD1-CB 3.48Å; D221-A223 PolarHBondContact OD1-N 3.12Å; D221-G224 PolarHBondContact O-N 2.99Å; D221-G225 PolarHBondContact O-N 3.2Å; D221-G226 WeakPolarHBondContact O-CA 3.38Å; D221-G226 PolarHBondContact O-N 2.99Å | ||
| 222 | P | 96.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 57.8 Ų | 57.8 | 53% | 0.526 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -58.7 | -27.3 | 177 | -24.3 | 35.5 | 0 | 0 | 0 | 114.4 | F220 G224 G225 G226 P228 | F220-P222 WeakPolarHBondContact O-CD 3.24Å; P222-G224 PolarHBondContact O-N 3.45Å; P222-G225 PolarHBondContact O-N 3.38Å; P222-G226 WeakPolarHBondContact CA-O 3.43Å; P222-P228 HydrophobicContact CG-CG 4.04Å |
| 223 | A | 95 | Very high | 97.6 | Very high | 93 Ų | 93 | 59.4 Ų | 59.4 | 77% | 0.769 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -65.2 | -27.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | D221 | D221-A223 PolarHBondContact O-N 3.28Å; D221-A223 WeakPolarHBondContact OD1-CB 3.48Å; D221-A223 PolarHBondContact OD1-N 3.12Å |
| 224 | G | 95.1 | Very high | 97.6 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 42% | 0.423 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -99.6 | 10.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | T218 D221 P222 | T218-G224 PolarHBondContact OG1-O 3.49Å; D221-G224 PolarHBondContact O-N 2.99Å; P222-G224 PolarHBondContact O-N 3.45Å |
| 225 | G | 96.6 | Very high | 97.7 | Very high | 73 Ų | 73 | 57 Ų | 57 | 75% | 0.753 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 8.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | D221 P222 | D221-G225 PolarHBondContact O-N 3.2Å; P222-G225 PolarHBondContact O-N 3.38Å |
| 226 | G | 97.8 | Very high | 97.7 | Very high | 15 Ų | 15 | 52.2 Ų | 52.2 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | trans | -76.2 | 172.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | T218 F219 D221 P222 | T218-G226 VanDerWaalsContact O-CA 3.25Å; T218-G226 WeakPolarHBondContact O-CA 3.37Å; T218-G226 PolarHBondContact O-N 3.03Å; F219-G226 WeakPolarHBondContact O-CA 3.2Å; D221-G226 WeakPolarHBondContact O-CA 3.38Å; D221-G226 PolarHBondContact O-N 2.99Å; P222-G226 WeakPolarHBondContact CA-O 3.43Å | ||
| 227 | D | 98.1 | Very high | 97.8 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 40% | 0.401 | 30% | 0.295 | S | S | . | . | trans | -133.8 | 113.9 | -178.3 | -178 | 9 | 0 | 0 | 0 | 112 | F219 I229 L230 | F219-D227 PolarHBondContact O-N 3.4Å; F219-D227 VanDerWaalsContact O-N 3.07Å; D227-I229 PolarHBondContact O-N 2.72Å; D227-I229 VanDerWaalsContact OD1-CB 3.32Å; D227-I229 WeakPolarHBondContact OD1-CB 3.37Å; D227-I229 PolarHBondContact OD1-N 3.02Å; D227-L230 HydrophobicContact CB-CB 4.27Å; D227-L230 VanDerWaalsContact O-CB 3.23Å; D227-L230 WeakPolarHBondContact O-CB 3.29Å; D227-L230 PolarHBondContact O-N 2.93Å | ||
| 228 | P | 97.8 | Very high | 97.8 | Very high | 24 Ų | 24 | 45.6 Ų | 45.6 | 16% | 0.156 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.9 | -26.1 | 172.6 | -23.7 | 32.3 | 0 | 0 | 0 | 114.2 | F220 P222 L230 Y231 Q232 | F220-P228 WeakPolarHBondContact O-CD 3.43Å; F220-P228 VanDerWaalsContact O-CG 3.28Å; F220-P228 WeakPolarHBondContact O-CG 3.5Å; P222-P228 HydrophobicContact CG-CG 4.04Å; P228-L230 VanDerWaalsContact C-N 3.3Å; P228-Y231 WeakPolarHBondContact O-CB 3.28Å; P228-Y231 PolarHBondContact O-N 3.02Å; P228-Q232 PolarHBondContact O-N 3.16Å |
| 229 | I | 98.5 | Very high | 97.8 | Very high | 55 Ų | 55 | 42.6 Ų | 42.6 | 28% | 0.282 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.6 | -29.5 | 177.5 | -57.6 | 175.9 | 0 | 0 | 0 | 110.6 | D227 Y231 Q232 H233 M292 V295 | D227-I229 PolarHBondContact O-N 2.72Å; D227-I229 VanDerWaalsContact OD1-CB 3.32Å; D227-I229 WeakPolarHBondContact OD1-CB 3.37Å; D227-I229 PolarHBondContact OD1-N 3.02Å; I229-Y231 VanDerWaalsContact C-N 3.29Å; I229-Y231 PolarHBondContact O-N 3.13Å; I229-Q232 WeakPolarHBondContact O-CB 3.21Å; I229-Q232 PolarHBondContact O-N 3.39Å; I229-Q232 VanDerWaalsContact O-N 3.08Å; I229-H233 PolarHBondContact O-CD2 2.66Å; I229-H233 PolarHBondContact O-N 3.16Å; I229-M292 HydrophobicContact CG2-CE 3.68Å; I229-V295 HydrophobicContact CD1-CB 4.32Å; I229-V295 HydrophobicContact CG2-CG2 4.14Å |
| 230 | L | 98.6 | Very high | 97.8 | Very high | 71 Ų | 71 | 38.9 Ų | 38.9 | 37% | 0.372 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.5 | -43.8 | 171 | 177.6 | 62.3 | 0 | 0 | 0 | 111.1 | F220 D227 P228 Q232 H233 L234 | F220-L230 HydrophobicContact CD1-CB 4.36Å; F220-L230 HydrophobicContact CE1-CB 4.28Å; F220-L230 HydrophobicContact CE1-CD2 4.13Å; F220-L230 HydrophobicContact CE1-CG 4.07Å; D227-L230 HydrophobicContact CB-CB 4.27Å; D227-L230 VanDerWaalsContact O-CB 3.23Å; D227-L230 WeakPolarHBondContact O-CB 3.29Å; D227-L230 PolarHBondContact O-N 2.93Å; P228-L230 VanDerWaalsContact C-N 3.3Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 3.01Å; L230-H233 PolarHBondContact O-N 3.44Å; L230-L234 HydrophobicContact CD1-CG 4.45Å; L230-L234 HydrophobicContact CG-CD1 4.27Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.41Å |
| 231 | Y | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -42.5 | 175.4 | -176.5 | -82.1 | 0 | 0 | 0 | 111 | T127 V128 Y129 P130 L209 F220 P228 I229 H233 L234 F235 | T127-Y231 WeakPolarHBondContact O-CE1 3.37Å; T127-Y231 PolarHBondContact O-OH 3.19Å; V128-Y231 PolarHBondContact O-OH 2.74Å; Y129-Y231 AromaticContact CD1-CD1 3.6Å; Y129-Y231 HydrophobicContact CD1-CD1 3.6Å; Y129-Y231 AromaticContact CD1-CE1 3.63Å; Y129-Y231 HydrophobicContact CD1-CE1 3.63Å; Y129-Y231 HydrophobicContact CE1-CD1 4.13Å; Y129-Y231 HydrophobicContact CE1-CE1 4.15Å; P130-Y231 HydrophobicContact CG-CD1 4.41Å; P130-Y231 HydrophobicContact CG-CD2 4.15Å; P130-Y231 HydrophobicContact CG-CG 3.82Å; L209-Y231 HydrophobicContact CB-CE2 4.15Å; L209-Y231 HydrophobicContact CD2-CE2 3.95Å; F220-Y231 HydrophobicContact CD2-CD2 4.09Å; F220-Y231 HydrophobicContact CE1-CD2 4.26Å; F220-Y231 HydrophobicContact CE1-CG 4.48Å; F220-Y231 AromaticContact CE2-CD2 3.6Å; F220-Y231 HydrophobicContact CE2-CD2 3.6Å; F220-Y231 HydrophobicContact CE2-CE2 4.47Å; F220-Y231 HydrophobicContact CE2-CG 4.46Å; F220-Y231 AromaticContact CZ-CD2 3.7Å; F220-Y231 HydrophobicContact CZ-CD2 3.7Å; F220-Y231 HydrophobicContact CZ-CG 4.35Å; P228-Y231 WeakPolarHBondContact O-CB 3.28Å; P228-Y231 PolarHBondContact O-N 3.02Å; I229-Y231 VanDerWaalsContact C-N 3.29Å; I229-Y231 PolarHBondContact O-N 3.13Å; Y231-H233 VanDerWaalsContact C-N 3.33Å; Y231-H233 PolarHBondContact O-N 3.37Å; Y231-L234 PolarHBondContact O-N 3.41Å; Y231-F235 HydrophobicContact CD1-CB 4.2Å; Y231-F235 HydrophobicContact CE1-CB 3.83Å; Y231-F235 HydrophobicContact CE1-CD2 4.11Å; Y231-F235 HydrophobicContact CE1-CG 4.2Å; Y231-F235 VanDerWaalsContact O-CB 3.28Å; Y231-F235 WeakPolarHBondContact O-CB 3.32Å; Y231-F235 PolarHBondContact O-N 3.49Å |
| 232 | Q | 98.6 | Very high | 97.9 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -41 | 177.9 | -61.2 | -169.7 | 36.7 | 0 | 0 | 112.1 | Y129 P228 I229 L230 W236 M292 | Y129-Q232 HydrophobicContact CD1-CG 4.18Å; Y129-Q232 HydrophobicContact CD2-CG 4.49Å; Y129-Q232 HydrophobicContact CE1-CB 4.4Å; Y129-Q232 HydrophobicContact CE1-CG 3.79Å; Y129-Q232 HydrophobicContact CE2-CG 4.14Å; P228-Q232 PolarHBondContact O-N 3.16Å; I229-Q232 WeakPolarHBondContact O-CB 3.21Å; I229-Q232 PolarHBondContact O-N 3.39Å; I229-Q232 VanDerWaalsContact O-N 3.08Å; L230-Q232 VanDerWaalsContact C-N 3.29Å; L230-Q232 PolarHBondContact O-N 3.01Å; Q232-W236 WeakPolarHBondContact O-CB 3.37Å; Q232-W236 PolarHBondContact O-N 2.82Å; Q232-M292 HydrophobicContact CB-CE 3.57Å; Q232-M292 HydrophobicContact CB-CG 4.41Å; Q232-M292 HydrophobicContact CB-SD 4.06Å |
| 233 | H | 98.6 | Very high | 97.9 | Very high | 64 Ų | 64 | 35.3 Ų | 35.3 | 30% | 0.296 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -62.2 | -47.5 | 174.8 | -78.8 | -64.2 | 0 | 0 | 0 | 111.9 | I229 L230 Y231 F237 W288 M292 | I229-H233 PolarHBondContact O-CD2 2.66Å; I229-H233 PolarHBondContact O-N 3.16Å; L230-H233 PolarHBondContact O-N 3.44Å; Y231-H233 VanDerWaalsContact C-N 3.33Å; Y231-H233 PolarHBondContact O-N 3.37Å; H233-F237 WeakPolarHBondContact O-CB 3.42Å; H233-F237 PolarHBondContact O-N 3.2Å; H233-W288 AromaticContact ND1-NE1 3.54Å; H233-M292 HydrophobicContact CB-CE 4.47Å; H233-M292 VanDerWaalsContact CE1-CE 3.41Å; H233-M292 WeakPolarHBondContact CE1-CE 3.15Å; H233-M292 PolarHBondContact ND1-SD 2.91Å; H233-M292 WeakPolarHBondContact NE2-CE 3.2Å |
| 234 | L | 98.7 | Very high | 98 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 18% | 0.183 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -47.1 | 178.3 | -66.4 | 173 | 0 | 0 | 0 | 111.4 | V201 M208 F220 L230 Y231 F238 | V201-L234 HydrophobicContact CG1-CB 4.32Å; V201-L234 HydrophobicContact CG1-CD2 3.86Å; M208-L234 HydrophobicContact SD-CD1 3.9Å; F220-L234 HydrophobicContact CE1-CD1 4.26Å; F220-L234 HydrophobicContact CZ-CD1 4.2Å; L230-L234 HydrophobicContact CD1-CG 4.45Å; L230-L234 HydrophobicContact CG-CD1 4.27Å; L230-L234 WeakPolarHBondContact O-CG 3.42Å; L230-L234 PolarHBondContact O-N 3.41Å; Y231-L234 PolarHBondContact O-N 3.41Å; L234-F238 PolarHBondContact O-N 3.06Å |
| 235 | F | 98.8 | Very high | 98.1 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.026 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -48 | -180 | -175.8 | -88.4 | 0 | 0 | 0 | 111.3 | W126 T127 Y129 L202 Y231 F238 G239 | W126-F235 HydrophobicContact CD2-CZ 4.19Å; W126-F235 HydrophobicContact CE3-CE1 4.48Å; W126-F235 AromaticContact CE3-CZ 3.73Å; W126-F235 HydrophobicContact CE3-CZ 3.73Å; W126-F235 AromaticContact CH2-CE1 3.83Å; W126-F235 HydrophobicContact CH2-CE1 3.83Å; W126-F235 AromaticContact CH2-CZ 3.83Å; W126-F235 HydrophobicContact CH2-CZ 3.83Å; W126-F235 HydrophobicContact CZ2-CE1 4.07Å; W126-F235 HydrophobicContact CZ2-CZ 4.26Å; W126-F235 HydrophobicContact CZ3-CE1 4.06Å; W126-F235 AromaticContact CZ3-CZ 3.54Å; W126-F235 HydrophobicContact CZ3-CZ 3.54Å; T127-F235 HydrophobicContact CG2-CD1 4.28Å; T127-F235 HydrophobicContact CG2-CE1 3.68Å; T127-F235 HydrophobicContact CG2-CZ 4.06Å; T127-F235 WeakPolarHBondContact O-CD2 3.39Å; Y129-F235 HydrophobicContact CE1-CD1 4.45Å; L202-F235 HydrophobicContact CD1-CD2 4.03Å; L202-F235 HydrophobicContact CD1-CE2 4.19Å; Y231-F235 HydrophobicContact CD1-CB 4.2Å; Y231-F235 HydrophobicContact CE1-CB 3.83Å; Y231-F235 HydrophobicContact CE1-CD2 4.11Å; Y231-F235 HydrophobicContact CE1-CG 4.2Å; Y231-F235 VanDerWaalsContact O-CB 3.28Å; Y231-F235 WeakPolarHBondContact O-CB 3.32Å; Y231-F235 PolarHBondContact O-N 3.49Å; F235-F238 CarbonylContact O-C 3.48Å; F235-F238 WeakPolarHBondContact O-CB 3.25Å; F235-F238 PolarHBondContact O-N 2.99Å; F235-G239 WeakPolarHBondContact O-CA 3.45Å; F235-G239 PolarHBondContact O-N 3.17Å |
| 236 | W | 98.8 | Very high | 98.1 | Very high | 22 Ų | 22 | 28.7 Ų | 28.7 | 8% | 0.083 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -76.2 | -29.1 | -177.4 | -73 | 125.7 | 0 | 0 | 0 | 113.8 | W126 T127 Y129 Q232 F238 G239 H240 W288 H291 | W126-W236 HydrophobicContact CH2-CH2 4.45Å; W126-W236 HydrophobicContact CH2-CZ3 4.09Å; W126-W236 AromaticContact CZ2-CH2 3.71Å; W126-W236 HydrophobicContact CZ2-CH2 3.71Å; W126-W236 AromaticContact CZ2-CZ3 3.77Å; W126-W236 HydrophobicContact CZ2-CZ3 3.77Å; T127-W236 HydrophobicContact CG2-CH2 4.19Å; T127-W236 HydrophobicContact CG2-CZ2 4Å; Y129-W236 AromaticContact CZ-NE1 3.94Å; Y129-W236 WeakPolarHBondContact OH-CZ2 3.11Å; Y129-W236 PolarHBondContact OH-NE1 3.11Å; Q232-W236 WeakPolarHBondContact O-CB 3.37Å; Q232-W236 PolarHBondContact O-N 2.82Å; W236-F238 PolarHBondContact O-N 2.95Å; W236-G239 PolarHBondContact O-N 3.14Å; W236-G239 VanDerWaalsContact O-N 3.08Å; W236-H240 PolarHBondContact O-N 3.08Å; W236-W288 HydrophobicContact CB-CB 4.27Å; W236-W288 VanDerWaalsContact O-CB 3.28Å; W236-W288 WeakPolarHBondContact O-CB 3.28Å; W236-H291 HydrophobicContact CD2-CB 3.45Å; W236-H291 VanDerWaalsContact CD2-CB 3.45Å; W236-H291 AromaticContact CD2-CD2 3.53Å; W236-H291 AromaticContact CD2-CG 3.57Å; W236-H291 AromaticContact CE2-CG 3.71Å; W236-H291 HydrophobicContact CE3-CB 4.04Å; W236-H291 AromaticContact CE3-CD2 3.24Å; W236-H291 AromaticContact CE3-CG 3.59Å; W236-H291 AromaticContact CE3-NE2 3.62Å; W236-H291 HydrophobicContact CG-CB 3.73Å; W236-H291 HydrophobicContact CH2-CB 4.33Å; W236-H291 AromaticContact CH2-CG 3.95Å; W236-H291 AromaticContact CH2-ND1 3.85Å; W236-H291 HydrophobicContact CZ2-CB 3.78Å; W236-H291 AromaticContact CZ2-CG 3.92Å; W236-H291 HydrophobicContact CZ3-CB 4.44Å; W236-H291 AromaticContact CZ3-CD2 3.67Å; W236-H291 AromaticContact CZ3-CE1 3.78Å; W236-H291 AromaticContact CZ3-CG 3.79Å; W236-H291 AromaticContact CZ3-ND1 3.89Å; W236-H291 AromaticContact CZ3-NE2 3.64Å |
| 237 | F | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 31.5 Ų | 31.5 | 26% | 0.263 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -57.8 | -34.4 | 170.4 | -174.5 | -86.5 | 0 | 0 | 0 | 111.1 | V201 H233 P241 F285 W288 | V201-F237 HydrophobicContact CB-CD1 3.97Å; V201-F237 HydrophobicContact CG1-CB 4.32Å; V201-F237 HydrophobicContact CG1-CD1 3.85Å; V201-F237 HydrophobicContact CG1-CG 4.42Å; V201-F237 HydrophobicContact CG2-CD1 3.68Å; V201-F237 HydrophobicContact CG2-CE1 3.77Å; H233-F237 WeakPolarHBondContact O-CB 3.42Å; H233-F237 PolarHBondContact O-N 3.2Å; F237-P241 WeakPolarHBondContact O-CD 3.49Å; F237-P241 WeakPolarHBondContact O-CG 3.49Å; F237-F285 AromaticContact CE1-CD1 3.84Å; F237-F285 HydrophobicContact CE1-CD1 3.84Å; F237-F285 AromaticContact CE1-CE1 3.97Å; F237-F285 HydrophobicContact CE1-CE1 3.97Å; F237-F285 HydrophobicContact CE2-CD1 4.25Å; F237-F285 AromaticContact CZ-CD1 3.66Å; F237-F285 HydrophobicContact CZ-CD1 3.66Å; F237-F285 HydrophobicContact CZ-CE1 4.22Å; F237-W288 HydrophobicContact CB-CG 4.32Å; F237-W288 HydrophobicContact CD2-CD2 4.05Å; F237-W288 HydrophobicContact CD2-CE3 4.12Å; F237-W288 HydrophobicContact CD2-CG 4.48Å; F237-W288 HydrophobicContact CD2-CZ3 4.41Å |
| 238 | F | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -76.1 | -50.2 | 165.4 | 154 | -102.1 | 0 | 0 | 0 | 112.6 | F67 L199 L202 L234 F235 W236 H240 P241 E242 | F67-F238 HydrophobicContact CE1-CZ 4.04Å; F67-F238 HydrophobicContact CZ-CE1 4.18Å; F67-F238 AromaticContact CZ-CZ 3.84Å; F67-F238 HydrophobicContact CZ-CZ 3.84Å; L199-F238 HydrophobicContact CD2-CD2 4.07Å; L199-F238 HydrophobicContact CD2-CE2 3.5Å; L199-F238 HydrophobicContact CD2-CZ 4.3Å; L199-F238 HydrophobicContact CG-CE2 4.35Å; L202-F238 HydrophobicContact CB-CB 3.89Å; L202-F238 HydrophobicContact CB-CD1 3.89Å; L202-F238 HydrophobicContact CB-CD2 3.92Å; L202-F238 HydrophobicContact CB-CE1 4.45Å; L202-F238 HydrophobicContact CB-CE2 4.49Å; L202-F238 HydrophobicContact CB-CG 3.59Å; L202-F238 HydrophobicContact CD1-CD1 3.78Å; L202-F238 HydrophobicContact CD1-CE1 4.09Å; L202-F238 HydrophobicContact CD1-CG 4.37Å; L202-F238 HydrophobicContact CD2-CD1 3.96Å; L202-F238 HydrophobicContact CD2-CD2 4.33Å; L202-F238 HydrophobicContact CD2-CE1 3.68Å; L202-F238 HydrophobicContact CD2-CE2 4.08Å; L202-F238 HydrophobicContact CD2-CG 4.29Å; L202-F238 HydrophobicContact CD2-CZ 3.74Å; L202-F238 HydrophobicContact CG-CD1 4.07Å; L202-F238 HydrophobicContact CG-CE1 4.28Å; L202-F238 HydrophobicContact CG-CG 4.29Å; L234-F238 PolarHBondContact O-N 3.06Å; F235-F238 CarbonylContact O-C 3.48Å; F235-F238 WeakPolarHBondContact O-CB 3.25Å; F235-F238 PolarHBondContact O-N 2.99Å; W236-F238 PolarHBondContact O-N 2.95Å; F238-H240 VanDerWaalsContact C-N 3.35Å; F238-H240 PolarHBondContact O-N 3.29Å; F238-P241 VanDerWaalsContact O-CD 3.25Å; F238-P241 WeakPolarHBondContact O-CD 3.43Å; F238-E242 HydrophobicContact CD2-CB 4.36Å; F238-E242 HydrophobicContact CE1-CB 4.16Å; F238-E242 HydrophobicContact CE1-CG 4.26Å; F238-E242 HydrophobicContact CE2-CB 3.76Å; F238-E242 HydrophobicContact CE2-CG 3.97Å; F238-E242 WeakPolarHBondContact CE2-OE2 3.49Å; F238-E242 HydrophobicContact CZ-CB 3.65Å; F238-E242 HydrophobicContact CZ-CG 3.54Å; F238-E242 WeakPolarHBondContact O-CB 3.2Å; F238-E242 PolarHBondContact O-N 3.27Å |
| 239 | G | 97.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.9 | -30.1 | -163 | 0 | 0 | 0 | 0 | 0 | 114 | F235 W236 E242 V243 | F235-G239 WeakPolarHBondContact O-CA 3.45Å; F235-G239 PolarHBondContact O-N 3.17Å; W236-G239 PolarHBondContact O-N 3.14Å; W236-G239 VanDerWaalsContact O-N 3.08Å; G239-E242 WeakPolarHBondContact O-CB 3.47Å; G239-E242 PolarHBondContact O-N 2.93Å; G239-V243 PolarHBondContact O-N 3.31Å |
| 240 | H | 98.2 | Very high | 98.2 | Very high | 11 Ų | 11 | 24.8 Ų | 24.8 | 5% | 0.051 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -75.9 | -45.8 | 175.7 | -163.4 | 76.9 | 0 | 0 | 0 | 113 | W236 F238 E242 V243 Y244 V287 W288 H290 H291 | W236-H240 PolarHBondContact O-N 3.08Å; F238-H240 VanDerWaalsContact C-N 3.35Å; F238-H240 PolarHBondContact O-N 3.29Å; H240-E242 PolarHBondContact O-N 3.17Å; H240-V243 WeakPolarHBondContact O-CG2 3.33Å; H240-V243 PolarHBondContact O-N 3.2Å; H240-Y244 AromaticContact CD2-CE2 3.36Å; H240-Y244 WeakPolarHBondContact CD2-CE2 3.36Å; H240-Y244 AromaticContact NE2-CD2 3.99Å; H240-Y244 AromaticContact NE2-CE2 2.98Å; H240-Y244 WeakPolarHBondContact NE2-CE2 3.14Å; H240-Y244 AromaticContact NE2-CZ 3.24Å; H240-Y244 PolarHBondContact NE2-OH 3.42Å; H240-Y244 PolarHBondContact O-N 3.24Å; H240-V287 WeakPolarHBondContact CD2-CG2 3.37Å; H240-V287 WeakPolarHBondContact NE2-CG2 3.3Å; H240-W288 HydrophobicContact CB-CB 4.16Å; H240-H290 AromaticContact CE1-CE1 3.02Å; H240-H290 PolarHBondContact CE1-CE1 3.49Å; H240-H290 AromaticContact CE1-NE2 3.23Å; H240-H290 PolarHBondContact CE1-NE2 2.72Å; H240-H290 AromaticContact CG-CE1 3.86Å; H240-H290 AromaticContact CG-NE2 3.87Å; H240-H290 AromaticContact ND1-CE1 3.12Å; H240-H290 PolarHBondContact ND1-CE1 2.87Å; H240-H290 AromaticContact ND1-NE2 2.92Å; H240-H290 PolarHBondContact ND1-NE2 3.08Å; H240-H290 AromaticContact NE2-CE1 3.6Å; H240-H291 AromaticContact ND1-NE2 3.47Å; H240-H291 PolarHBondContact ND1-NE2 3.1Å |
| 241 | P | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.7 | -38 | 164.6 | -30.3 | 36.6 | 0 | 0 | 0 | 113.6 | F237 F238 V243 Y244 I245 F285 | F237-P241 WeakPolarHBondContact O-CD 3.49Å; F237-P241 WeakPolarHBondContact O-CG 3.49Å; F238-P241 VanDerWaalsContact O-CD 3.25Å; F238-P241 WeakPolarHBondContact O-CD 3.43Å; P241-V243 PolarHBondContact O-N 2.81Å; P241-Y244 WeakPolarHBondContact O-CA 3.47Å; P241-Y244 WeakPolarHBondContact O-CB 3.32Å; P241-Y244 PolarHBondContact O-N 3.16Å; P241-I245 WeakPolarHBondContact O-CG1 3.34Å; P241-I245 PolarHBondContact O-N 3.46Å; P241-F285 HydrophobicContact CB-CE1 4.08Å; P241-F285 HydrophobicContact CB-CZ 4.14Å; P241-F285 HydrophobicContact CG-CD1 3.63Å; P241-F285 HydrophobicContact CG-CE1 3.57Å; P241-F285 HydrophobicContact CG-CG 4.18Å; P241-F285 HydrophobicContact CG-CZ 4.08Å |
| 242 | E | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.9 | -45.1 | 177.6 | -175.8 | 60.2 | -158.7 | 0 | 0 | 112.3 | I66 M71 F238 G239 H240 Y244 I245 L246 | I66-E242 HydrophobicContact CG2-CG 4.47Å; M71-E242 VanDerWaalsContact CE-OE1 3.22Å; M71-E242 WeakPolarHBondContact CE-OE1 3.45Å; F238-E242 HydrophobicContact CD2-CB 4.36Å; F238-E242 HydrophobicContact CE1-CB 4.16Å; F238-E242 HydrophobicContact CE1-CG 4.26Å; F238-E242 HydrophobicContact CE2-CB 3.76Å; F238-E242 HydrophobicContact CE2-CG 3.97Å; F238-E242 WeakPolarHBondContact CE2-OE2 3.49Å; F238-E242 HydrophobicContact CZ-CB 3.65Å; F238-E242 HydrophobicContact CZ-CG 3.54Å; F238-E242 WeakPolarHBondContact O-CB 3.2Å; F238-E242 PolarHBondContact O-N 3.27Å; G239-E242 WeakPolarHBondContact O-CB 3.47Å; G239-E242 PolarHBondContact O-N 2.93Å; H240-E242 PolarHBondContact O-N 3.17Å; E242-Y244 PolarHBondContact O-N 3.22Å; E242-I245 WeakPolarHBondContact O-CA 3.38Å; E242-I245 VanDerWaalsContact O-CB 3.28Å; E242-I245 WeakPolarHBondContact O-CB 3.29Å; E242-I245 PolarHBondContact O-N 3.31Å; E242-I245 WeakPolarHBondContact OE2-CD1 3.3Å; E242-L246 WeakPolarHBondContact O-CG 3.43Å; E242-L246 PolarHBondContact O-N 2.95Å |
| 243 | V | 97.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 22.9 Ų | 22.9 | 35% | 0.345 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -63.9 | -26.5 | 176.9 | -60.6 | 0 | 0 | 0 | 0 | 112.7 | G239 H240 P241 I247 | G239-V243 PolarHBondContact O-N 3.31Å; H240-V243 WeakPolarHBondContact O-CG2 3.33Å; H240-V243 PolarHBondContact O-N 3.2Å; P241-V243 PolarHBondContact O-N 2.81Å; V243-I247 PolarHBondContact O-N 3.07Å |
| 244 | Y | 97.7 | Very high | 98.1 | Very high | 30 Ų | 30 | 23.3 Ų | 23.3 | 12% | 0.118 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -74.9 | -37.6 | 170.3 | -69.4 | -51.4 | 0 | 0 | 0 | 113.4 | H240 P241 E242 L246 I247 L248 I280 I312 | H240-Y244 AromaticContact CD2-CE2 3.36Å; H240-Y244 WeakPolarHBondContact CD2-CE2 3.36Å; H240-Y244 AromaticContact NE2-CD2 3.99Å; H240-Y244 AromaticContact NE2-CE2 2.98Å; H240-Y244 WeakPolarHBondContact NE2-CE2 3.14Å; H240-Y244 AromaticContact NE2-CZ 3.24Å; H240-Y244 PolarHBondContact NE2-OH 3.42Å; H240-Y244 PolarHBondContact O-N 3.24Å; P241-Y244 WeakPolarHBondContact O-CA 3.47Å; P241-Y244 WeakPolarHBondContact O-CB 3.32Å; P241-Y244 PolarHBondContact O-N 3.16Å; E242-Y244 PolarHBondContact O-N 3.22Å; Y244-L246 PolarHBondContact O-N 3.24Å; Y244-I247 HydrophobicContact CD1-CG2 4.18Å; Y244-I247 PolarHBondContact O-N 3.25Å; Y244-I247 VanDerWaalsContact O-N 3.17Å; Y244-L248 VanDerWaalsContact O-CB 3.32Å; Y244-L248 WeakPolarHBondContact O-CB 3.48Å; Y244-L248 VanDerWaalsContact O-CG 3.23Å; Y244-L248 WeakPolarHBondContact O-CG 3.44Å; Y244-L248 PolarHBondContact O-N 2.94Å; Y244-I280 HydrophobicContact CD1-CG2 3.4Å; Y244-I280 HydrophobicContact CD2-CG2 4.31Å; Y244-I280 HydrophobicContact CE1-CG2 3.67Å; Y244-I280 HydrophobicContact CE2-CG2 4.49Å; Y244-I280 HydrophobicContact CG-CG2 3.81Å; Y244-I312 HydrophobicContact CE1-CG2 4.34Å; Y244-I312 HydrophobicContact CE2-CD1 4.21Å; Y244-I312 VanDerWaalsContact OH-CD1 3.24Å; Y244-I312 WeakPolarHBondContact OH-CD1 3.32Å; Y244-I312 WeakPolarHBondContact OH-CG2 3.28Å |
| 245 | I | 97.3 | Very high | 98 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.2 | -40.5 | 171.7 | -72.9 | 157.7 | 0 | 0 | 0 | 110.2 | M71 T191 L194 L195 P241 E242 P249 | M71-I245 HydrophobicContact CG-CG2 4.48Å; M71-I245 HydrophobicContact SD-CG2 4.39Å; T191-I245 HydrophobicContact CG2-CB 3.88Å; T191-I245 HydrophobicContact CG2-CG1 3.97Å; T191-I245 HydrophobicContact CG2-CG2 3.55Å; L194-I245 HydrophobicContact CB-CD1 3.72Å; L194-I245 HydrophobicContact CB-CG1 3.56Å; L194-I245 HydrophobicContact CD1-CG1 3.99Å; L194-I245 HydrophobicContact CG-CG1 4.41Å; L195-I245 HydrophobicContact CB-CD1 4.44Å; L195-I245 HydrophobicContact CD1-CG2 4.32Å; L195-I245 HydrophobicContact CD2-CD1 3.7Å; L195-I245 HydrophobicContact CD2-CG1 4.36Å; L195-I245 HydrophobicContact CD2-CG2 3.83Å; L195-I245 HydrophobicContact CG-CD1 3.77Å; L195-I245 HydrophobicContact CG-CG1 4.1Å; L195-I245 HydrophobicContact CG-CG2 3.97Å; P241-I245 WeakPolarHBondContact O-CG1 3.34Å; P241-I245 PolarHBondContact O-N 3.46Å; E242-I245 WeakPolarHBondContact O-CA 3.38Å; E242-I245 VanDerWaalsContact O-CB 3.28Å; E242-I245 WeakPolarHBondContact O-CB 3.29Å; E242-I245 PolarHBondContact O-N 3.31Å; E242-I245 WeakPolarHBondContact OE2-CD1 3.3Å; I245-P249 WeakPolarHBondContact O-CD 3.41Å |
| 246 | L | 96.3 | Very high | 98 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 20% | 0.199 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.4 | -37.7 | 178.6 | -58.9 | 179.4 | 0 | 0 | 0 | 113.3 | I66 V70 M71 E242 Y244 | I66-L246 HydrophobicContact CG1-CD1 4.43Å; I66-L246 HydrophobicContact CG2-CD1 4.24Å; I66-L246 HydrophobicContact CG2-CD2 4.29Å; V70-L246 HydrophobicContact CB-CD2 4.08Å; V70-L246 HydrophobicContact CG1-CB 4.17Å; V70-L246 HydrophobicContact CG1-CD2 3.66Å; V70-L246 HydrophobicContact CG1-CG 4.4Å; M71-L246 HydrophobicContact CG-CD2 3.82Å; E242-L246 WeakPolarHBondContact O-CG 3.43Å; E242-L246 PolarHBondContact O-N 2.95Å; Y244-L246 PolarHBondContact O-N 3.24Å |
| 247 | I | 97.9 | Very high | 97.9 | Very high | 73 Ų | 73 | 27.7 Ų | 27.7 | 37% | 0.374 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -95.3 | -29.5 | -171.6 | -163.5 | 60.8 | 0 | 0 | 0 | 114.3 | V243 Y244 G250 F251 | V243-I247 PolarHBondContact O-N 3.07Å; Y244-I247 HydrophobicContact CD1-CG2 4.18Å; Y244-I247 PolarHBondContact O-N 3.25Å; Y244-I247 VanDerWaalsContact O-N 3.17Å; I247-G250 CarbonylContact O-C 3.39Å; I247-G250 WeakPolarHBondContact O-CA 3.26Å; I247-G250 PolarHBondContact O-N 3.13Å; I247-F251 HydrophobicContact CB-CZ 4.47Å; I247-F251 HydrophobicContact CD1-CE1 4.14Å; I247-F251 HydrophobicContact CG1-CD1 3.99Å; I247-F251 HydrophobicContact CG1-CE1 3.46Å; I247-F251 VanDerWaalsContact CG1-CE1 3.46Å; I247-F251 HydrophobicContact CG1-CE2 4.15Å; I247-F251 HydrophobicContact CG1-CZ 3.56Å; I247-F251 HydrophobicContact CG2-CE2 3.95Å; I247-F251 HydrophobicContact CG2-CZ 4.05Å; I247-F251 PolarHBondContact O-N 3.37Å |
| 248 | L | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -56.9 | -47.6 | -175.6 | -81.4 | 166.9 | 0 | 0 | 0 | 112.8 | S187 I190 T191 L194 Y244 G250 F251 G252 M277 I280 | S187-L248 WeakPolarHBondContact CB-O 3.39Å; I190-L248 HydrophobicContact CB-CD1 4.42Å; I190-L248 HydrophobicContact CG2-CD1 3.73Å; T191-L248 WeakPolarHBondContact OG1-CB 3.37Å; L194-L248 HydrophobicContact CD1-CD1 3.64Å; Y244-L248 VanDerWaalsContact O-CB 3.32Å; Y244-L248 WeakPolarHBondContact O-CB 3.48Å; Y244-L248 VanDerWaalsContact O-CG 3.23Å; Y244-L248 WeakPolarHBondContact O-CG 3.44Å; Y244-L248 PolarHBondContact O-N 2.94Å; L248-G250 PolarHBondContact O-N 3.43Å; L248-F251 HydrophobicContact CD2-CD2 4.17Å; L248-F251 VanDerWaalsContact O-CB 3.32Å; L248-F251 WeakPolarHBondContact O-CB 3.46Å; L248-F251 PolarHBondContact O-N 3.16Å; L248-F251 VanDerWaalsContact O-N 3.07Å; L248-G252 PolarHBondContact O-N 3.38Å; L248-M277 HydrophobicContact CD2-CB 4.17Å; L248-M277 HydrophobicContact CD2-CG 4.25Å; L248-I280 HydrophobicContact CD2-CG2 4.4Å |
| 249 | P | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.3 | -34.2 | 175 | -23.9 | 36.4 | 0 | 0 | 0 | 112.5 | M74 I75 F184 T191 I245 G252 M253 | M74-P249 HydrophobicContact CB-CB 4.25Å; M74-P249 HydrophobicContact CE-CB 3.91Å; I75-P249 HydrophobicContact CD1-CB 4.34Å; I75-P249 HydrophobicContact CD1-CG 3.42Å; I75-P249 VanDerWaalsContact CD1-CG 3.42Å; I75-P249 HydrophobicContact CG1-CG 4.14Å; F184-P249 HydrophobicContact CE2-CB 4.27Å; T191-P249 HydrophobicContact CG2-CG 4.32Å; I245-P249 WeakPolarHBondContact O-CD 3.41Å; P249-G252 WeakPolarHBondContact O-CA 3.34Å; P249-G252 PolarHBondContact O-N 3.1Å; P249-G252 VanDerWaalsContact O-N 3.16Å; P249-M253 WeakPolarHBondContact O-CG 3.37Å; P249-M253 PolarHBondContact O-N 3.01Å |
| 250 | G | 98 | Very high | 97.8 | Very high | 14 Ų | 14 | 36.2 Ų | 36.2 | 14% | 0.144 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.2 | -46.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.6 | M74 I247 L248 G252 M253 I254 | M74-G250 VanDerWaalsContact CE-N 3.34Å; I247-G250 CarbonylContact O-C 3.39Å; I247-G250 WeakPolarHBondContact O-CA 3.26Å; I247-G250 PolarHBondContact O-N 3.13Å; L248-G250 PolarHBondContact O-N 3.43Å; G250-G252 VanDerWaalsContact C-N 3.29Å; G250-G252 PolarHBondContact O-N 2.82Å; G250-M253 PolarHBondContact O-N 3.38Å; G250-I254 WeakPolarHBondContact O-CB 3.44Å; G250-I254 WeakPolarHBondContact O-CG1 3.36Å; G250-I254 PolarHBondContact O-N 3.17Å |
| 251 | F | 98.3 | Very high | 97.8 | Very high | 28 Ų | 28 | 44.7 Ų | 44.7 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.7 | -39.6 | 173.2 | -61.9 | -23.7 | 0 | 0 | 0 | 112.7 | I247 L248 S255 I280 K319 W323 | I247-F251 HydrophobicContact CB-CZ 4.47Å; I247-F251 HydrophobicContact CD1-CE1 4.14Å; I247-F251 HydrophobicContact CG1-CD1 3.99Å; I247-F251 HydrophobicContact CG1-CE1 3.46Å; I247-F251 VanDerWaalsContact CG1-CE1 3.46Å; I247-F251 HydrophobicContact CG1-CE2 4.15Å; I247-F251 HydrophobicContact CG1-CZ 3.56Å; I247-F251 HydrophobicContact CG2-CE2 3.95Å; I247-F251 HydrophobicContact CG2-CZ 4.05Å; I247-F251 PolarHBondContact O-N 3.37Å; L248-F251 HydrophobicContact CD2-CD2 4.17Å; L248-F251 VanDerWaalsContact O-CB 3.32Å; L248-F251 WeakPolarHBondContact O-CB 3.46Å; L248-F251 PolarHBondContact O-N 3.16Å; L248-F251 VanDerWaalsContact O-N 3.07Å; F251-S255 WeakPolarHBondContact O-CB 3.35Å; F251-S255 PolarHBondContact O-N 3.33Å; F251-S255 VanDerWaalsContact O-N 3.14Å; F251-S255 PolarHBondContact O-OG 3.48Å; F251-I280 HydrophobicContact CE2-CD1 4.19Å; F251-K319 VanDerWaalsContact CB-CE 3.42Å; F251-K319 HydrophobicContact CD2-CD 4.2Å; F251-K319 VanDerWaalsContact CG-CE 3.45Å; F251-W323 HydrophobicContact CB-CH2 4.22Å; F251-W323 HydrophobicContact CB-CZ2 4.06Å; F251-W323 AromaticContact CD1-CH2 3.51Å; F251-W323 HydrophobicContact CD1-CH2 3.51Å; F251-W323 HydrophobicContact CD1-CZ2 4.22Å; F251-W323 HydrophobicContact CE1-CH2 4.06Å; F251-W323 HydrophobicContact CG-CH2 4.09Å; F251-W323 HydrophobicContact CG-CZ2 4.42Å |
| 252 | G | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 175 | 0 | 0 | 0 | 0 | 0 | 112.6 | L248 P249 G250 S255 H256 | L248-G252 PolarHBondContact O-N 3.38Å; P249-G252 WeakPolarHBondContact O-CA 3.34Å; P249-G252 PolarHBondContact O-N 3.1Å; P249-G252 VanDerWaalsContact O-N 3.16Å; G250-G252 VanDerWaalsContact C-N 3.29Å; G250-G252 PolarHBondContact O-N 2.82Å; G252-S255 PolarHBondContact O-N 2.71Å; G252-H256 PolarHBondContact O-CD2 3.26Å; G252-H256 PolarHBondContact O-N 3.11Å |
| 253 | M | 98.1 | Very high | 97.6 | Very high | 40 Ų | 40 | 51.1 Ų | 51.1 | 20% | 0.197 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.1 | -48 | 179.6 | -70.4 | -169.7 | -59.7 | 0 | 0 | 112.4 | M74 F78 F184 P249 G250 S255 H256 I257 | M74-M253 HydrophobicContact CE-CE 3.13Å; M74-M253 HydrophobicContact SD-CE 3.62Å; F78-M253 HydrophobicContact CB-SD 4.5Å; F78-M253 HydrophobicContact CD1-SD 4.37Å; F78-M253 HydrophobicContact CD2-CE 4.42Å; F78-M253 HydrophobicContact CD2-SD 3.84Å; F78-M253 HydrophobicContact CE2-SD 4.08Å; F78-M253 HydrophobicContact CG-SD 4Å; F78-M253 HydrophobicContact CZ-SD 4.45Å; F184-M253 HydrophobicContact CD2-CG 3.56Å; F184-M253 HydrophobicContact CE2-CG 3.57Å; F184-M253 HydrophobicContact CE2-SD 4.3Å; P249-M253 WeakPolarHBondContact O-CG 3.37Å; P249-M253 PolarHBondContact O-N 3.01Å; G250-M253 PolarHBondContact O-N 3.38Å; M253-S255 PolarHBondContact O-N 3.09Å; M253-H256 PolarHBondContact O-N 3.16Å; M253-I257 WeakPolarHBondContact O-CG1 3.21Å; M253-I257 PolarHBondContact O-N 3.48Å |
| 254 | I | 98.2 | Very high | 97.4 | Very high | 73 Ų | 73 | 52.2 Ų | 52.2 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.9 | -39.1 | 179 | -68.7 | -62.1 | 0 | 0 | 0 | 110.9 | G250 H256 I257 V258 W323 | G250-I254 WeakPolarHBondContact O-CB 3.44Å; G250-I254 WeakPolarHBondContact O-CG1 3.36Å; G250-I254 PolarHBondContact O-N 3.17Å; I254-H256 VanDerWaalsContact C-N 3.27Å; I254-H256 PolarHBondContact O-N 2.9Å; I254-I257 PolarHBondContact O-N 3.25Å; I254-V258 HydrophobicContact CG2-CG2 3.87Å; I254-V258 WeakPolarHBondContact O-CB 3.42Å; I254-V258 VanDerWaalsContact O-CG2 3.3Å; I254-V258 WeakPolarHBondContact O-CG2 3.49Å; I254-V258 PolarHBondContact O-N 3.31Å; I254-W323 HydrophobicContact CB-CZ2 4.31Å; I254-W323 HydrophobicContact CG2-CD2 3.97Å; I254-W323 HydrophobicContact CG2-CE3 4.23Å; I254-W323 HydrophobicContact CG2-CG 4.47Å; I254-W323 HydrophobicContact CG2-CH2 4.36Å; I254-W323 HydrophobicContact CG2-CZ2 4.06Å; I254-W323 HydrophobicContact CG2-CZ3 4.43Å |
| 255 | S | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.9 | -37.7 | 177.9 | -54.1 | 0 | 0 | 0 | 0 | 112.7 | F251 G252 M253 T259 M273 W323 | F251-S255 WeakPolarHBondContact O-CB 3.35Å; F251-S255 PolarHBondContact O-N 3.33Å; F251-S255 VanDerWaalsContact O-N 3.14Å; F251-S255 PolarHBondContact O-OG 3.48Å; G252-S255 PolarHBondContact O-N 2.71Å; M253-S255 PolarHBondContact O-N 3.09Å; S255-T259 VanDerWaalsContact O-CB 3.3Å; S255-T259 WeakPolarHBondContact O-CB 3.34Å; S255-T259 PolarHBondContact O-N 2.82Å; S255-T259 PolarHBondContact O-OG1 3.48Å; S255-M273 WeakPolarHBondContact OG-CE 3.34Å; S255-W323 PolarHBondContact OG-NE1 3.18Å |
| 256 | H | 97.6 | Very high | 96.9 | Very high | 69 Ų | 69 | 67.3 Ų | 67.3 | 32% | 0.319 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74.8 | -44.4 | 176.1 | -79.8 | -76.1 | 0 | 0 | 0 | 112.5 | F184 G252 M253 I254 T259 Y260 | F184-H256 PolarHBondContact N-NE2 2.98Å; G252-H256 PolarHBondContact O-CD2 3.26Å; G252-H256 PolarHBondContact O-N 3.11Å; M253-H256 PolarHBondContact O-N 3.16Å; I254-H256 VanDerWaalsContact C-N 3.27Å; I254-H256 PolarHBondContact O-N 2.9Å; H256-T259 PolarHBondContact O-N 3.27Å; H256-Y260 WeakPolarHBondContact O-CB 3.31Å; H256-Y260 PolarHBondContact O-N 3.48Å |
| 257 | I | 98 | Very high | 96.8 | Very high | 85 Ų | 85 | 66.5 Ų | 66.5 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -51.1 | 179.5 | -68.1 | 168.1 | 0 | 0 | 0 | 110.3 | M253 I254 T259 Y260 Y261 | M253-I257 WeakPolarHBondContact O-CG1 3.21Å; M253-I257 PolarHBondContact O-N 3.48Å; I254-I257 PolarHBondContact O-N 3.25Å; I257-T259 PolarHBondContact O-N 2.97Å; I257-Y260 PolarHBondContact O-N 3.31Å; I257-Y261 HydrophobicContact CG2-CD2 3.75Å; I257-Y261 HydrophobicContact CG2-CE2 3.97Å; I257-Y261 VanDerWaalsContact O-CD2 3.29Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 PolarHBondContact O-N 2.88Å |
| 258 | V | 97.8 | Very high | 96.7 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 26% | 0.261 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | -179.6 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | I254 Y260 S262 W323 | I254-V258 HydrophobicContact CG2-CG2 3.87Å; I254-V258 WeakPolarHBondContact O-CB 3.42Å; I254-V258 VanDerWaalsContact O-CG2 3.3Å; I254-V258 WeakPolarHBondContact O-CG2 3.49Å; I254-V258 PolarHBondContact O-N 3.31Å; V258-Y260 VanDerWaalsContact C-N 3.35Å; V258-Y260 PolarHBondContact O-N 3.49Å; V258-S262 WeakPolarHBondContact O-CB 3.18Å; V258-S262 PolarHBondContact O-N 3.44Å; V258-S262 PolarHBondContact O-OG 3.41Å; V258-W323 HydrophobicContact CG1-CB 4.41Å |
| 259 | T | 96.8 | Very high | 96.6 | Very high | 16 Ų | 16 | 70.7 Ų | 70.7 | 10% | 0.098 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.2 | -47 | 178.7 | -60.1 | 0 | 0 | 0 | 0 | 111.2 | S255 H256 I257 S262 G263 K264 P267 | S255-T259 VanDerWaalsContact O-CB 3.3Å; S255-T259 WeakPolarHBondContact O-CB 3.34Å; S255-T259 PolarHBondContact O-N 2.82Å; S255-T259 PolarHBondContact O-OG1 3.48Å; H256-T259 PolarHBondContact O-N 3.27Å; I257-T259 PolarHBondContact O-N 2.97Å; T259-S262 PolarHBondContact O-N 3.49Å; T259-G263 PolarHBondContact O-N 2.87Å; T259-K264 HydrophobicContact CG2-CB 4.05Å; T259-K264 WeakPolarHBondContact CG2-O 3.22Å; T259-K264 PolarHBondContact O-N 2.9Å; T259-K264 VanDerWaalsContact O-N 3.09Å; T259-P267 WeakPolarHBondContact OG1-CB 3.36Å |
| 260 | Y | 96.9 | Very high | 96.5 | Very high | 181 Ų | 181 | 72.4 Ų | 72.4 | 71% | 0.71 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -63.3 | -52.9 | -179.1 | -177.9 | -97.6 | 0 | 0 | 0 | 112.3 | H256 I257 V258 S262 G263 | H256-Y260 WeakPolarHBondContact O-CB 3.31Å; H256-Y260 PolarHBondContact O-N 3.48Å; I257-Y260 PolarHBondContact O-N 3.31Å; V258-Y260 VanDerWaalsContact C-N 3.35Å; V258-Y260 PolarHBondContact O-N 3.49Å; Y260-S262 VanDerWaalsContact C-N 3.26Å; Y260-S262 PolarHBondContact O-N 2.93Å; Y260-G263 PolarHBondContact O-N 3.05Å |
| 261 | Y | 97.9 | Very high | 96.4 | Very high | 189 Ų | 189 | 75 Ų | 75 | 74% | 0.741 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -71 | -20.9 | -177.8 | -77.1 | -70.1 | 0 | 0 | 0 | 113.6 | I257 G263 | I257-Y261 HydrophobicContact CG2-CD2 3.75Å; I257-Y261 HydrophobicContact CG2-CE2 3.97Å; I257-Y261 VanDerWaalsContact O-CD2 3.29Å; I257-Y261 WeakPolarHBondContact O-CD2 3.42Å; I257-Y261 PolarHBondContact O-N 2.88Å; Y261-G263 VanDerWaalsContact C-N 3.26Å |
| 262 | S | 96.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 75.2 Ų | 75.2 | 46% | 0.462 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.1 | 172.5 | -54 | 0 | 0 | 0 | 0 | 113.2 | V258 T259 Y260 K264 | V258-S262 WeakPolarHBondContact O-CB 3.18Å; V258-S262 PolarHBondContact O-N 3.44Å; V258-S262 PolarHBondContact O-OG 3.41Å; T259-S262 PolarHBondContact O-N 3.49Å; Y260-S262 VanDerWaalsContact C-N 3.26Å; Y260-S262 PolarHBondContact O-N 2.93Å; S262-K264 PolarHBondContact O-N 2.89Å |
| 263 | G | 95.9 | Very high | 96.3 | Very high | 70 Ų | 70 | 75.2 Ų | 75.2 | 72% | 0.722 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 17.8 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | T259 Y260 Y261 | T259-G263 PolarHBondContact O-N 2.87Å; Y260-G263 PolarHBondContact O-N 3.05Å; Y261-G263 VanDerWaalsContact C-N 3.26Å |
| 264 | K | 93.9 | Very high | 96.3 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 35% | 0.348 | 38% | 0.377 | S | S | . | . | trans | -81.9 | 145.3 | 179.2 | -67.3 | -179.5 | 179.3 | 168.7 | 0 | 109.6 | T259 S262 E266 A325 | T259-K264 HydrophobicContact CG2-CB 4.05Å; T259-K264 WeakPolarHBondContact CG2-O 3.22Å; T259-K264 PolarHBondContact O-N 2.9Å; T259-K264 VanDerWaalsContact O-N 3.09Å; S262-K264 PolarHBondContact O-N 2.89Å; K264-E266 VanDerWaalsContact C-N 3.35Å; K264-A325 PolarHBondContact NZ-O 3.33Å; K264-A325 PolarHBondContact NZ-OXT 3.28Å | ||
| 265 | K | 91.1 | Very high | 96.3 | Very high | 216 Ų | 216 | 76.6 Ų | 76.6 | 94% | 0.939 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -71.9 | -33.7 | 175.1 | -67 | -174.6 | -180 | -180 | 0 | 112.1 | ||
| 266 | E | 92.8 | Very high | 96.3 | Very high | 132 Ų | 132 | 76.8 Ų | 76.8 | 62% | 0.617 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -148.7 | 156.2 | -179.2 | 67.3 | -177.6 | 154.8 | 0 | 0 | 110.2 | K264 | K264-E266 VanDerWaalsContact C-N 3.35Š|
| 267 | P | 94.1 | Very high | 96.4 | Very high | 20 Ų | 20 | 73.5 Ų | 73.5 | 13% | 0.13 | 37% | 0.371 | C | S | . | . | trans | -67.1 | 144.7 | 174.6 | 26.5 | -33.6 | 0 | 0 | 0 | 111.2 | L183 T259 G269 Y270 M273 | L183-P267 HydrophobicContact CD1-CB 4.12Å; L183-P267 HydrophobicContact CD1-CG 3.52Å; L183-P267 HydrophobicContact CG-CG 4.39Å; T259-P267 WeakPolarHBondContact OG1-CB 3.36Å; P267-G269 PolarHBondContact O-N 3.23Å; P267-Y270 HydrophobicContact CG-CD2 4.25Å; P267-Y270 PolarHBondContact O-N 3.48Å; P267-M273 HydrophobicContact CB-SD 3.7Å; P267-M273 HydrophobicContact CG-SD 4.27Å | ||
| 268 | F | 96.7 | Very high | 96.4 | Very high | 124 Ų | 124 | 72.1 Ų | 72.1 | 54% | 0.544 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 124.3 | 178.8 | 179.5 | -93.3 | 0 | 0 | 0 | 111.2 | S322 A325 | F268-S322 VanDerWaalsContact O-CB 3.31Å; F268-S322 WeakPolarHBondContact O-CB 3.33Å; F268-S322 PolarHBondContact O-OG 3.32Å; F268-A325 HydrophobicContact CB-CB 4.18Å; F268-A325 WeakPolarHBondContact CB-OXT 3.36Å; F268-A325 HydrophobicContact CD1-CB 3.66Å; F268-A325 HydrophobicContact CD2-CB 4.32Å; F268-A325 HydrophobicContact CE1-CB 4.1Å; F268-A325 HydrophobicContact CG-CB 3.78Å |
| 269 | G | 95.4 | Very high | 96.4 | Very high | 38 Ų | 38 | 72.4 Ų | 72.4 | 39% | 0.392 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.2 | 44.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | P267 M271 G272 M273 | P267-G269 PolarHBondContact O-N 3.23Å; G269-M271 PolarHBondContact O-N 2.85Å; G269-M271 VanDerWaalsContact O-N 3.08Å; G269-G272 CarbonylContact O-C 3.29Å; G269-G272 WeakPolarHBondContact O-CA 3.47Å; G269-G272 PolarHBondContact O-N 3.32Å; G269-M273 PolarHBondContact O-N 2.66Å |
| 270 | Y | 96.4 | Very high | 96.4 | Very high | 36 Ų | 36 | 71.7 Ų | 71.7 | 14% | 0.141 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -39.9 | -49.4 | 178.1 | 165.3 | -91.1 | 0 | 0 | 0 | 113.4 | Y179 T181 L183 W186 P267 G272 M273 V274 | Y179-Y270 WeakPolarHBondContact O-CE1 3.46Å; Y179-Y270 PolarHBondContact O-OH 2.92Å; T181-Y270 PolarHBondContact O-OH 3.49Å; L183-Y270 HydrophobicContact CD1-CD2 4.33Å; L183-Y270 HydrophobicContact CD2-CD2 3.67Å; L183-Y270 HydrophobicContact CD2-CE2 3.58Å; L183-Y270 HydrophobicContact CG-CD2 3.81Å; L183-Y270 HydrophobicContact CG-CE2 3.84Å; W186-Y270 PolarHBondContact NE1-OH 2.81Å; P267-Y270 HydrophobicContact CG-CD2 4.25Å; P267-Y270 PolarHBondContact O-N 3.48Å; Y270-G272 PolarHBondContact O-N 3Å; Y270-M273 WeakPolarHBondContact O-CB 3.41Å; Y270-M273 PolarHBondContact O-N 3.5Å; Y270-M273 VanDerWaalsContact O-N 3.14Å; Y270-V274 HydrophobicContact CE1-CG2 3.99Å; Y270-V274 HydrophobicContact CE2-CG2 4.04Å; Y270-V274 WeakPolarHBondContact O-CG2 3.35Å; Y270-V274 PolarHBondContact O-N 2.86Å |
| 271 | M | 96.3 | Very high | 96.5 | Very high | 68 Ų | 68 | 63.2 Ų | 63.2 | 34% | 0.335 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 178.1 | -74.8 | -54.9 | -63.2 | 0 | 0 | 112.6 | Y179 G269 M273 V274 W275 | Y179-M271 HydrophobicContact CD1-CE 3.36Å; Y179-M271 HydrophobicContact CD1-SD 3.76Å; Y179-M271 HydrophobicContact CE1-CE 3.56Å; Y179-M271 HydrophobicContact CG-CE 4.41Å; Y179-M271 HydrophobicContact CG-SD 4.44Å; G269-M271 PolarHBondContact O-N 2.85Å; G269-M271 VanDerWaalsContact O-N 3.08Å; M271-M273 VanDerWaalsContact C-N 3.27Å; M271-M273 PolarHBondContact O-N 2.9Å; M271-V274 PolarHBondContact O-N 3.36Å; M271-W275 PolarHBondContact O-N 2.95Å |
| 272 | G | 97 | Very high | 96.5 | Very high | 32 Ų | 32 | 61.1 Ų | 61.1 | 33% | 0.33 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.8 | -38.3 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | G269 Y270 A276 | G269-G272 CarbonylContact O-C 3.29Å; G269-G272 WeakPolarHBondContact O-CA 3.47Å; G269-G272 PolarHBondContact O-N 3.32Å; Y270-G272 PolarHBondContact O-N 3Å; G272-A276 WeakPolarHBondContact O-CB 3.15Å; G272-A276 PolarHBondContact O-N 2.91Å |
| 273 | M | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.6 | -37.9 | 175.8 | -62 | -178.5 | 77 | 0 | 0 | 112.9 | L183 S255 P267 G269 Y270 M271 M277 | L183-M273 HydrophobicContact CD1-CB 4.23Å; L183-M273 HydrophobicContact CD1-CE 3.82Å; L183-M273 HydrophobicContact CD1-SD 3.72Å; L183-M273 HydrophobicContact CD2-CB 4.16Å; S255-M273 WeakPolarHBondContact OG-CE 3.34Å; P267-M273 HydrophobicContact CB-SD 3.7Å; P267-M273 HydrophobicContact CG-SD 4.27Å; G269-M273 PolarHBondContact O-N 2.66Å; Y270-M273 WeakPolarHBondContact O-CB 3.41Å; Y270-M273 PolarHBondContact O-N 3.5Å; Y270-M273 VanDerWaalsContact O-N 3.14Å; M271-M273 VanDerWaalsContact C-N 3.27Å; M271-M273 PolarHBondContact O-N 2.9Å; M273-M277 WeakPolarHBondContact O-CG 3.28Å; M273-M277 PolarHBondContact O-N 2.89Å |
| 274 | V | 97.9 | Very high | 96.4 | Very high | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63 | -51.9 | 174.6 | 172.8 | 0 | 0 | 0 | 0 | 110.2 | L183 W186 Y270 M271 A276 M277 M278 | L183-V274 HydrophobicContact CD2-CG2 3.55Å; W186-V274 HydrophobicContact CD2-CG1 3.86Å; W186-V274 HydrophobicContact CE3-CG1 4.23Å; W186-V274 HydrophobicContact CG-CG1 4.29Å; W186-V274 HydrophobicContact CG-CG2 4.18Å; W186-V274 HydrophobicContact CH2-CG1 4.17Å; W186-V274 HydrophobicContact CZ2-CG1 3.79Å; W186-V274 HydrophobicContact CZ3-CG1 4.39Å; Y270-V274 HydrophobicContact CE1-CG2 3.99Å; Y270-V274 HydrophobicContact CE2-CG2 4.04Å; Y270-V274 WeakPolarHBondContact O-CG2 3.35Å; Y270-V274 PolarHBondContact O-N 2.86Å; M271-V274 PolarHBondContact O-N 3.36Å; V274-A276 VanDerWaalsContact C-N 3.32Å; V274-A276 PolarHBondContact O-N 2.98Å; V274-M277 PolarHBondContact O-N 3.02Å; V274-M278 HydrophobicContact CG1-CE 3.98Å; V274-M278 PolarHBondContact O-N 2.86Å |
| 275 | W | 97.9 | Very high | 96.6 | Very high | 141 Ų | 141 | 53.5 Ų | 53.5 | 53% | 0.534 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.5 | -41.2 | 177.7 | -72.5 | 115.1 | 0 | 0 | 0 | 112.1 | M271 M277 M278 S279 | M271-W275 PolarHBondContact O-N 2.95Å; W275-M277 PolarHBondContact O-N 3.31Å; W275-M278 HydrophobicContact CD2-CE 3.56Å; W275-M278 HydrophobicContact CE3-CE 3.08Å; W275-M278 HydrophobicContact CG-CE 4.32Å; W275-M278 HydrophobicContact CH2-CE 3.81Å; W275-M278 HydrophobicContact CZ2-CE 4.26Å; W275-M278 HydrophobicContact CZ3-CE 3.21Å; W275-M278 PolarHBondContact O-N 3.22Å; W275-S279 WeakPolarHBondContact O-CB 3.41Å; W275-S279 PolarHBondContact O-N 3.4Å; W275-S279 PolarHBondContact O-OG 3.36Å; W275-S279 VanDerWaalsContact O-OG 3.06Å |
| 276 | A | 98.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.3 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | G272 V274 S279 I280 P315 V318 K319 | G272-A276 WeakPolarHBondContact O-CB 3.15Å; G272-A276 PolarHBondContact O-N 2.91Å; V274-A276 VanDerWaalsContact C-N 3.32Å; V274-A276 PolarHBondContact O-N 2.98Å; A276-S279 PolarHBondContact O-N 2.82Å; A276-I280 VanDerWaalsContact O-CG1 3.3Å; A276-I280 WeakPolarHBondContact O-CG1 2.88Å; A276-I280 PolarHBondContact O-N 3.28Å; A276-P315 HydrophobicContact CB-CB 3.89Å; A276-P315 WeakPolarHBondContact CB-O 3.18Å; A276-P315 WeakPolarHBondContact O-CB 3.25Å; A276-V318 HydrophobicContact CB-CB 4.34Å; A276-V318 HydrophobicContact CB-CG1 4.25Å; A276-K319 HydrophobicContact CB-CD 4.11Å; A276-K319 HydrophobicContact CB-CG 3.73Å |
| 277 | M | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.1 | -40.9 | 176.5 | -69 | -176 | -61.6 | 0 | 0 | 112.1 | L183 W186 I190 L248 M273 V274 W275 I280 G281 K319 | L183-M277 HydrophobicContact CB-CE 4.44Å; L183-M277 HydrophobicContact CD2-CE 3.76Å; W186-M277 HydrophobicContact CB-CE 3.89Å; I190-M277 HydrophobicContact CD1-CB 3.44Å; I190-M277 VanDerWaalsContact CD1-CB 3.44Å; L248-M277 HydrophobicContact CD2-CB 4.17Å; L248-M277 HydrophobicContact CD2-CG 4.25Å; M273-M277 WeakPolarHBondContact O-CG 3.28Å; M273-M277 PolarHBondContact O-N 2.89Å; V274-M277 PolarHBondContact O-N 3.02Å; W275-M277 PolarHBondContact O-N 3.31Å; M277-I280 PolarHBondContact O-N 3.04Å; M277-G281 PolarHBondContact O-N 2.73Å; M277-K319 HydrophobicContact CG-CD 3.86Å; M277-K319 PolarHBondContact SD-NZ 2.94Å |
| 278 | M | 98.1 | Very high | 97.3 | Very high | 55 Ų | 55 | 41 Ų | 41 | 27% | 0.271 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.4 | -40.1 | 176.6 | -68.8 | -170.4 | -58.6 | 0 | 0 | 111.7 | W186 I190 V274 W275 G281 F282 | W186-M278 HydrophobicContact CH2-SD 4.27Å; W186-M278 HydrophobicContact CZ3-SD 3.88Å; I190-M278 HydrophobicContact CD1-CG 3.79Å; I190-M278 HydrophobicContact CG1-CG 4.21Å; V274-M278 HydrophobicContact CG1-CE 3.98Å; V274-M278 PolarHBondContact O-N 2.86Å; W275-M278 HydrophobicContact CD2-CE 3.56Å; W275-M278 HydrophobicContact CE3-CE 3.08Å; W275-M278 HydrophobicContact CG-CE 4.32Å; W275-M278 HydrophobicContact CH2-CE 3.81Å; W275-M278 HydrophobicContact CZ2-CE 4.26Å; W275-M278 HydrophobicContact CZ3-CE 3.21Å; W275-M278 PolarHBondContact O-N 3.22Å; M278-G281 PolarHBondContact O-N 3.43Å; M278-F282 PolarHBondContact O-N 3.09Å |
| 279 | S | 98.2 | Very high | 97.4 | Very high | 50 Ų | 50 | 35 Ų | 35 | 35% | 0.35 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 173.8 | -63.9 | 0 | 0 | 0 | 0 | 111.8 | W275 A276 G281 F282 L283 | W275-S279 WeakPolarHBondContact O-CB 3.41Å; W275-S279 PolarHBondContact O-N 3.4Å; W275-S279 PolarHBondContact O-OG 3.36Å; W275-S279 VanDerWaalsContact O-OG 3.06Å; A276-S279 PolarHBondContact O-N 2.82Å; S279-G281 VanDerWaalsContact C-N 3.33Å; S279-G281 PolarHBondContact O-N 3.4Å; S279-F282 PolarHBondContact O-N 2.74Å; S279-L283 VanDerWaalsContact O-CB 3.25Å; S279-L283 WeakPolarHBondContact O-CB 3.39Å; S279-L283 WeakPolarHBondContact O-CG 3.35Å; S279-L283 PolarHBondContact O-N 2.91Å |
| 280 | I | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.6 | -46.3 | 175.1 | -69.6 | 163 | 0 | 0 | 0 | 110.4 | Y244 L248 F251 A276 M277 F282 L283 G284 I312 P315 K319 | Y244-I280 HydrophobicContact CD1-CG2 3.4Å; Y244-I280 HydrophobicContact CD2-CG2 4.31Å; Y244-I280 HydrophobicContact CE1-CG2 3.67Å; Y244-I280 HydrophobicContact CE2-CG2 4.49Å; Y244-I280 HydrophobicContact CG-CG2 3.81Å; L248-I280 HydrophobicContact CD2-CG2 4.4Å; F251-I280 HydrophobicContact CE2-CD1 4.19Å; A276-I280 VanDerWaalsContact O-CG1 3.3Å; A276-I280 WeakPolarHBondContact O-CG1 2.88Å; A276-I280 PolarHBondContact O-N 3.28Å; M277-I280 PolarHBondContact O-N 3.04Å; I280-F282 PolarHBondContact O-N 2.87Å; I280-L283 PolarHBondContact O-N 3.03Å; I280-G284 PolarHBondContact O-N 3.29Å; I280-I312 HydrophobicContact CG1-CG2 4.49Å; I280-P315 HydrophobicContact CD1-CB 4.39Å; I280-P315 HydrophobicContact CG1-CB 3.99Å; I280-P315 HydrophobicContact CG1-CG 3.83Å; I280-K319 HydrophobicContact CD1-CD 3.89Å |
| 281 | G | 97.5 | Very high | 97.6 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L194 M277 M278 S279 G284 | L194-G281 WeakPolarHBondContact CD2-O 3.26Å; M277-G281 PolarHBondContact O-N 2.73Å; M278-G281 PolarHBondContact O-N 3.43Å; S279-G281 VanDerWaalsContact C-N 3.33Å; S279-G281 PolarHBondContact O-N 3.4Å; G281-G284 PolarHBondContact O-N 2.97Å |
| 282 | F | 97.9 | Very high | 97.7 | Very high | 144 Ų | 144 | 33.4 Ų | 33.4 | 63% | 0.632 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -65.1 | -49.8 | 177.5 | 175.9 | -98.1 | 0 | 0 | 0 | 112.3 | M278 S279 I280 G284 F285 I286 | M278-F282 PolarHBondContact O-N 3.09Å; S279-F282 PolarHBondContact O-N 2.74Å; I280-F282 PolarHBondContact O-N 2.87Å; F282-G284 PolarHBondContact O-N 2.78Å; F282-F285 PolarHBondContact O-N 3.1Å; F282-I286 HydrophobicContact CE1-CD1 4.32Å |
| 283 | L | 95.8 | Very high | 97.7 | Very high | 23 Ų | 23 | 35.2 Ų | 35.2 | 12% | 0.12 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -28.1 | -178 | -69 | 173.2 | 0 | 0 | 0 | 111.8 | S279 I280 F285 I286 I311 I312 P315 | S279-L283 VanDerWaalsContact O-CB 3.25Å; S279-L283 WeakPolarHBondContact O-CB 3.39Å; S279-L283 WeakPolarHBondContact O-CG 3.35Å; S279-L283 PolarHBondContact O-N 2.91Å; I280-L283 PolarHBondContact O-N 3.03Å; L283-F285 PolarHBondContact O-N 3.32Å; L283-F285 VanDerWaalsContact O-N 3.17Å; L283-I286 HydrophobicContact CD2-CD1 3.7Å; L283-I286 HydrophobicContact CD2-CG1 4.2Å; L283-I286 VanDerWaalsContact O-CG1 3.32Å; L283-I286 WeakPolarHBondContact O-CG1 3.43Å; L283-I286 PolarHBondContact O-N 3.48Å; L283-I311 HydrophobicContact CD1-CG2 4Å; L283-I312 HydrophobicContact CB-CD1 3.94Å; L283-I312 HydrophobicContact CB-CG1 3.75Å; L283-I312 HydrophobicContact CD1-CG1 3.92Å; L283-I312 HydrophobicContact CG-CG1 4.43Å; L283-P315 HydrophobicContact CD1-CG 4.3Å |
| 284 | G | 94.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.4 | -28 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | I280 G281 F282 | I280-G284 PolarHBondContact O-N 3.29Å; G281-G284 PolarHBondContact O-N 2.97Å; F282-G284 PolarHBondContact O-N 2.78Å |
| 285 | F | 97.5 | Very high | 97.6 | Very high | 34 Ų | 34 | 43.5 Ų | 43.5 | 15% | 0.149 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.6 | -8.5 | 176.2 | -77.3 | -70.3 | 0 | 0 | 0 | 114.6 | L194 L197 F237 P241 F282 L283 W288 | L194-F285 HydrophobicContact CD2-CD2 4.06Å; L194-F285 HydrophobicContact CD2-CE2 3.38Å; L194-F285 HydrophobicContact CD2-CZ 4.14Å; L197-F285 HydrophobicContact CB-CE1 4.26Å; L197-F285 HydrophobicContact CB-CE2 4.18Å; L197-F285 HydrophobicContact CB-CZ 3.58Å; L197-F285 HydrophobicContact CD1-CE2 4.18Å; L197-F285 HydrophobicContact CD1-CZ 4.41Å; F237-F285 AromaticContact CE1-CD1 3.84Å; F237-F285 HydrophobicContact CE1-CD1 3.84Å; F237-F285 AromaticContact CE1-CE1 3.97Å; F237-F285 HydrophobicContact CE1-CE1 3.97Å; F237-F285 HydrophobicContact CE2-CD1 4.25Å; F237-F285 AromaticContact CZ-CD1 3.66Å; F237-F285 HydrophobicContact CZ-CD1 3.66Å; F237-F285 HydrophobicContact CZ-CE1 4.22Å; P241-F285 HydrophobicContact CB-CE1 4.08Å; P241-F285 HydrophobicContact CB-CZ 4.14Å; P241-F285 HydrophobicContact CG-CD1 3.63Å; P241-F285 HydrophobicContact CG-CE1 3.57Å; P241-F285 HydrophobicContact CG-CG 4.18Å; P241-F285 HydrophobicContact CG-CZ 4.08Å; F282-F285 PolarHBondContact O-N 3.1Å; L283-F285 PolarHBondContact O-N 3.32Å; L283-F285 VanDerWaalsContact O-N 3.17Å; F285-W288 WeakPolarHBondContact O-CZ3 3.38Å |
| 286 | I | 97.1 | Very high | 97.5 | Very high | 46 Ų | 46 | 40 Ų | 40 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | 10.7 | -176.3 | 68.7 | 168.4 | 0 | 0 | 0 | 113.8 | F282 L283 F305 | F282-I286 HydrophobicContact CE1-CD1 4.32Å; L283-I286 HydrophobicContact CD2-CD1 3.7Å; L283-I286 HydrophobicContact CD2-CG1 4.2Å; L283-I286 VanDerWaalsContact O-CG1 3.32Å; L283-I286 WeakPolarHBondContact O-CG1 3.43Å; L283-I286 PolarHBondContact O-N 3.48Å; I286-F305 WeakPolarHBondContact O-CE1 3.14Å |
| 287 | V | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -123.7 | 1.9 | -178.2 | -59.6 | 0 | 0 | 0 | 0 | 114.8 | H240 A289 H290 A308 I312 | H240-V287 WeakPolarHBondContact CD2-CG2 3.37Å; H240-V287 WeakPolarHBondContact NE2-CG2 3.3Å; V287-A289 PolarHBondContact O-N 2.97Å; V287-H290 PolarHBondContact O-CE1 3.4Å; V287-H290 VanDerWaalsContact O-CG 3.3Å; V287-H290 PolarHBondContact O-N 3.23Å; V287-H290 PolarHBondContact O-ND1 3.16Å; V287-A308 HydrophobicContact CG1-CB 3.84Å; V287-I312 HydrophobicContact CB-CD1 4.12Å; V287-I312 HydrophobicContact CG1-CD1 3.66Å; V287-I312 HydrophobicContact CG1-CG1 4.35Å; V287-I312 HydrophobicContact CG2-CD1 3.53Å | ||
| 288 | W | 98.4 | Very high | 97.4 | Very high | 58 Ų | 58 | 45 Ų | 45 | 22% | 0.22 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -54.9 | -34.4 | -168.6 | 73.9 | 100.5 | 0 | 0 | 0 | 115.2 | H233 W236 F237 H240 F285 H290 H291 F305 | H233-W288 AromaticContact ND1-NE1 3.54Å; W236-W288 HydrophobicContact CB-CB 4.27Å; W236-W288 VanDerWaalsContact O-CB 3.28Å; W236-W288 WeakPolarHBondContact O-CB 3.28Å; F237-W288 HydrophobicContact CB-CG 4.32Å; F237-W288 HydrophobicContact CD2-CD2 4.05Å; F237-W288 HydrophobicContact CD2-CE3 4.12Å; F237-W288 HydrophobicContact CD2-CG 4.48Å; F237-W288 HydrophobicContact CD2-CZ3 4.41Å; H240-W288 HydrophobicContact CB-CB 4.16Å; F285-W288 WeakPolarHBondContact O-CZ3 3.38Å; W288-H290 PolarHBondContact O-N 2.78Å; W288-H290 VanDerWaalsContact O-N 3.14Å; W288-H291 PolarHBondContact O-CD2 2.92Å; W288-H291 PolarHBondContact O-N 2.93Å; W288-F305 HydrophobicContact CD2-CE1 4.09Å; W288-F305 HydrophobicContact CD2-CZ 4.18Å; W288-F305 AromaticContact CE3-CE1 3.85Å; W288-F305 HydrophobicContact CE3-CE1 3.85Å; W288-F305 HydrophobicContact CE3-CZ 4.07Å; W288-F305 HydrophobicContact CH2-CE1 4.44Å; W288-F305 AromaticContact CH2-CZ 3.85Å; W288-F305 HydrophobicContact CH2-CZ 3.85Å; W288-F305 AromaticContact CZ2-CZ 3.97Å; W288-F305 HydrophobicContact CZ2-CZ 3.97Å; W288-F305 HydrophobicContact CZ3-CE1 4.05Å; W288-F305 AromaticContact CZ3-CZ 3.91Å; W288-F305 HydrophobicContact CZ3-CZ 3.91Å |
| 289 | A | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -75 | -0.4 | -173 | 0 | 0 | 0 | 0 | 0 | 114 | V287 H291 M292 M297 F305 | V287-A289 PolarHBondContact O-N 2.97Å; A289-H291 PolarHBondContact O-N 2.74Å; A289-H291 VanDerWaalsContact O-N 3.16Å; A289-M292 HydrophobicContact CB-SD 4.43Å; A289-M292 WeakPolarHBondContact O-CA 3.49Å; A289-M292 WeakPolarHBondContact O-CB 3.43Å; A289-M292 PolarHBondContact O-N 2.94Å; A289-M297 HydrophobicContact CB-CE 4.09Å; A289-M297 HydrophobicContact CB-SD 4.02Å; A289-M297 WeakPolarHBondContact O-CE 3.47Å; A289-F305 HydrophobicContact CB-CD1 3.82Å; A289-F305 HydrophobicContact CB-CD2 3.67Å; A289-F305 HydrophobicContact CB-CE1 3.63Å; A289-F305 HydrophobicContact CB-CE2 3.47Å; A289-F305 VanDerWaalsContact CB-CE2 3.47Å; A289-F305 HydrophobicContact CB-CG 3.86Å; A289-F305 HydrophobicContact CB-CZ 3.45Å; A289-F305 VanDerWaalsContact CB-CZ 3.45Å |
| 290 | H | 98.2 | Very high | 97.3 | Very high | 36 Ų | 36 | 50.9 Ų | 50.9 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -62.6 | -19.1 | 170.7 | 61.6 | -136.5 | 0 | 0 | 0 | 113.6 | H240 V287 W288 M292 F293 T309 | H240-H290 AromaticContact CE1-CE1 3.02Å; H240-H290 PolarHBondContact CE1-CE1 3.49Å; H240-H290 AromaticContact CE1-NE2 3.23Å; H240-H290 PolarHBondContact CE1-NE2 2.72Å; H240-H290 AromaticContact CG-CE1 3.86Å; H240-H290 AromaticContact CG-NE2 3.87Å; H240-H290 AromaticContact ND1-CE1 3.12Å; H240-H290 PolarHBondContact ND1-CE1 2.87Å; H240-H290 AromaticContact ND1-NE2 2.92Å; H240-H290 PolarHBondContact ND1-NE2 3.08Å; H240-H290 AromaticContact NE2-CE1 3.6Å; V287-H290 PolarHBondContact O-CE1 3.4Å; V287-H290 VanDerWaalsContact O-CG 3.3Å; V287-H290 PolarHBondContact O-N 3.23Å; V287-H290 PolarHBondContact O-ND1 3.16Å; W288-H290 PolarHBondContact O-N 2.78Å; W288-H290 VanDerWaalsContact O-N 3.14Å; H290-M292 PolarHBondContact O-N 3Å; H290-F293 HydrophobicContact CB-CD2 4.47Å; H290-F293 HydrophobicContact CB-CE1 4.24Å; H290-F293 HydrophobicContact CB-CE2 3.74Å; H290-F293 HydrophobicContact CB-CZ 3.62Å; H290-F293 WeakPolarHBondContact O-CD2 3.11Å; H290-T309 WeakPolarHBondContact ND1-CG2 3.35Å; H290-T309 PolarHBondContact ND1-OG1 2.89Å |
| 291 | H | 98.2 | Very high | 97.3 | Very high | 72 Ų | 72 | 53 Ų | 53 | 33% | 0.333 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -76.2 | -6.8 | 172.9 | -65.9 | -70.4 | 0 | 0 | 0 | 113 | W236 H240 W288 A289 | W236-H291 HydrophobicContact CD2-CB 3.45Å; W236-H291 VanDerWaalsContact CD2-CB 3.45Å; W236-H291 AromaticContact CD2-CD2 3.53Å; W236-H291 AromaticContact CD2-CG 3.57Å; W236-H291 AromaticContact CE2-CG 3.71Å; W236-H291 HydrophobicContact CE3-CB 4.04Å; W236-H291 AromaticContact CE3-CD2 3.24Å; W236-H291 AromaticContact CE3-CG 3.59Å; W236-H291 AromaticContact CE3-NE2 3.62Å; W236-H291 HydrophobicContact CG-CB 3.73Å; W236-H291 HydrophobicContact CH2-CB 4.33Å; W236-H291 AromaticContact CH2-CG 3.95Å; W236-H291 AromaticContact CH2-ND1 3.85Å; W236-H291 HydrophobicContact CZ2-CB 3.78Å; W236-H291 AromaticContact CZ2-CG 3.92Å; W236-H291 HydrophobicContact CZ3-CB 4.44Å; W236-H291 AromaticContact CZ3-CD2 3.67Å; W236-H291 AromaticContact CZ3-CE1 3.78Å; W236-H291 AromaticContact CZ3-CG 3.79Å; W236-H291 AromaticContact CZ3-ND1 3.89Å; W236-H291 AromaticContact CZ3-NE2 3.64Å; H240-H291 AromaticContact ND1-NE2 3.47Å; H240-H291 PolarHBondContact ND1-NE2 3.1Å; W288-H291 PolarHBondContact O-CD2 2.92Å; W288-H291 PolarHBondContact O-N 2.93Å; A289-H291 PolarHBondContact O-N 2.74Å; A289-H291 VanDerWaalsContact O-N 3.16Å |
| 292 | M | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -116.5 | 13.2 | -170.9 | -56.4 | 174.9 | 61.8 | 0 | 0 | 112.2 | I229 Q232 H233 A289 H290 T294 V295 M297 | I229-M292 HydrophobicContact CG2-CE 3.68Å; Q232-M292 HydrophobicContact CB-CE 3.57Å; Q232-M292 HydrophobicContact CB-CG 4.41Å; Q232-M292 HydrophobicContact CB-SD 4.06Å; H233-M292 HydrophobicContact CB-CE 4.47Å; H233-M292 VanDerWaalsContact CE1-CE 3.41Å; H233-M292 WeakPolarHBondContact CE1-CE 3.15Å; H233-M292 PolarHBondContact ND1-SD 2.91Å; H233-M292 WeakPolarHBondContact NE2-CE 3.2Å; A289-M292 HydrophobicContact CB-SD 4.43Å; A289-M292 WeakPolarHBondContact O-CA 3.49Å; A289-M292 WeakPolarHBondContact O-CB 3.43Å; A289-M292 PolarHBondContact O-N 2.94Å; H290-M292 PolarHBondContact O-N 3Å; M292-T294 PolarHBondContact O-N 3.11Å; M292-V295 HydrophobicContact CB-CG1 4.04Å; M292-V295 HydrophobicContact CB-CG2 4.06Å; M292-V295 HydrophobicContact CE-CG2 4.24Å; M292-V295 WeakPolarHBondContact O-CG2 3.41Å; M292-V295 PolarHBondContact O-N 3.43Å; M292-M297 HydrophobicContact CB-CE 4.05Å; M292-M297 HydrophobicContact CB-SD 4.48Å |
| 293 | F | 97.6 | Very high | 97.3 | Very high | 70 Ų | 70 | 53 Ų | 53 | 31% | 0.307 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | -19.1 | -174.4 | -72.2 | -29.1 | 0 | 0 | 0 | 115.4 | H290 M297 R302 F305 | H290-F293 HydrophobicContact CB-CD2 4.47Å; H290-F293 HydrophobicContact CB-CE1 4.24Å; H290-F293 HydrophobicContact CB-CE2 3.74Å; H290-F293 HydrophobicContact CB-CZ 3.62Å; H290-F293 WeakPolarHBondContact O-CD2 3.11Å; F293-M297 HydrophobicContact CD1-CE 3.78Å; F293-M297 HydrophobicContact CE1-CE 4.37Å; F293-R302 HydrophobicContact CD1-CB 4.4Å; F293-R302 HydrophobicContact CD1-CG 3.98Å; F293-R302 HydrophobicContact CE1-CB 4.44Å; F293-R302 HydrophobicContact CE1-CG 4.44Å; F293-F305 HydrophobicContact CE1-CB 3.76Å; F293-F305 HydrophobicContact CZ-CB 4.09Å |
| 294 | T | 97 | Very high | 97.4 | Very high | 137 Ų | 137 | 57.6 Ų | 57.6 | 84% | 0.84 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.3 | -1.4 | 179 | 56.7 | 0 | 0 | 0 | 0 | 114 | M292 G296 | M292-T294 PolarHBondContact O-N 3.11Å; T294-G296 VanDerWaalsContact C-N 3.25Å; T294-G296 PolarHBondContact O-N 3.03Å |
| 295 | V | 96.6 | Very high | 97.6 | Very high | 38 Ų | 38 | 58.2 Ų | 58.2 | 23% | 0.23 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -82.4 | 0.9 | -178.2 | -48.1 | 0 | 0 | 0 | 0 | 113.9 | I229 M292 M297 | I229-V295 HydrophobicContact CD1-CB 4.32Å; I229-V295 HydrophobicContact CG2-CG2 4.14Å; M292-V295 HydrophobicContact CB-CG1 4.04Å; M292-V295 HydrophobicContact CB-CG2 4.06Å; M292-V295 HydrophobicContact CE-CG2 4.24Å; M292-V295 WeakPolarHBondContact O-CG2 3.41Å; M292-V295 PolarHBondContact O-N 3.43Å; V295-M297 HydrophobicContact CG2-CG 3.85Å |
| 296 | G | 96.6 | Very high | 97.6 | Very high | 69 Ų | 69 | 59.2 Ų | 59.2 | 71% | 0.711 | 33% | 0.325 | S | S | * | . | trans | 88.1 | 24.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T294 | T294-G296 VanDerWaalsContact C-N 3.25Å; T294-G296 PolarHBondContact O-N 3.03Å | ||
| 297 | M | 96.2 | Very high | 97.6 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 12% | 0.118 | 34% | 0.336 | C | S | . | . | trans | -57.6 | 149 | 170.7 | -67.1 | -172 | -64.2 | 0 | 0 | 111.7 | A289 M292 F293 V295 T301 R302 | A289-M297 HydrophobicContact CB-CE 4.09Å; A289-M297 HydrophobicContact CB-SD 4.02Å; A289-M297 WeakPolarHBondContact O-CE 3.47Å; M292-M297 HydrophobicContact CB-CE 4.05Å; M292-M297 HydrophobicContact CB-SD 4.48Å; F293-M297 HydrophobicContact CD1-CE 3.78Å; F293-M297 HydrophobicContact CE1-CE 4.37Å; V295-M297 HydrophobicContact CG2-CG 3.85Å; M297-T301 HydrophobicContact CB-CG2 4.3Å; M297-T301 HydrophobicContact CG-CG2 4.49Å; M297-T301 HydrophobicContact SD-CG2 3.78Å; M297-R302 HydrophobicContact CB-CG 3.96Å; M297-R302 HydrophobicContact CE-CG 4.21Å; M297-R302 PolarHBondContact O-NE 3.28Å; M297-R302 VanDerWaalsContact O-NE 3.11Å | ||
| 298 | D | 97 | Very high | 97.6 | Very high | 85 Ų | 85 | 60.5 Ų | 60.5 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | trans | -60.8 | 163.2 | 177.8 | 70.3 | 88.4 | 0 | 0 | 0 | 112.2 | D300 T301 R302 | D298-D300 VanDerWaalsContact C-N 3.32Å; D298-D300 PolarHBondContact O-N 3.38Å; D298-D300 WeakPolarHBondContact OD1-CB 3.48Å; D298-D300 PolarHBondContact OD1-N 3.13Å; D298-T301 VanDerWaalsContact CG-OG1 3.29Å; D298-T301 PolarHBondContact OD1-N 3.4Å; D298-T301 PolarHBondContact OD1-OG1 3.45Å; D298-T301 WeakPolarHBondContact OD2-CB 3.41Å; D298-T301 PolarHBondContact OD2-OG1 2.85Å; D298-R302 WeakPolarHBondContact O-CG 3.44Å; D298-R302 PolarHBondContact O-N 2.6Å; D298-R302 VanDerWaalsContact O-N 3.13Å | ||
| 299 | V | 97.6 | Very high | 97.5 | Very high | 99 Ų | 99 | 59.8 Ų | 59.8 | 60% | 0.6 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -63.2 | -39.8 | -174.2 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | R302 A303 | V299-R302 PolarHBondContact O-N 2.97Å; V299-A303 WeakPolarHBondContact O-CB 3.42Å; V299-A303 PolarHBondContact O-N 3.38Å |
| 300 | D | 98.1 | Very high | 97.5 | Very high | 129 Ų | 129 | 66.1 Ų | 66.1 | 69% | 0.69 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -72.8 | -41.9 | -174.7 | -64.6 | -23.7 | 0 | 0 | 0 | 110.7 | D298 R302 A303 Y304 | D298-D300 VanDerWaalsContact C-N 3.32Å; D298-D300 PolarHBondContact O-N 3.38Å; D298-D300 WeakPolarHBondContact OD1-CB 3.48Å; D298-D300 PolarHBondContact OD1-N 3.13Å; D300-R302 VanDerWaalsContact C-N 3.35Å; D300-R302 PolarHBondContact O-N 3.3Å; D300-A303 PolarHBondContact O-N 3Å; D300-Y304 WeakPolarHBondContact O-CB 3.18Å; D300-Y304 PolarHBondContact O-N 3.42Å |
| 301 | T | 97.1 | Very high | 97.5 | Very high | 45 Ų | 45 | 68.5 Ų | 68.5 | 28% | 0.276 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 172.6 | -65.4 | 0 | 0 | 0 | 0 | 111.1 | M297 D298 A303 Y304 F305 | M297-T301 HydrophobicContact CB-CG2 4.3Å; M297-T301 HydrophobicContact CG-CG2 4.49Å; M297-T301 HydrophobicContact SD-CG2 3.78Å; D298-T301 VanDerWaalsContact CG-OG1 3.29Å; D298-T301 PolarHBondContact OD1-N 3.4Å; D298-T301 PolarHBondContact OD1-OG1 3.45Å; D298-T301 WeakPolarHBondContact OD2-CB 3.41Å; D298-T301 PolarHBondContact OD2-OG1 2.85Å; T301-A303 PolarHBondContact O-N 3.22Å; T301-Y304 PolarHBondContact O-N 3.08Å; T301-F305 HydrophobicContact CG2-CD2 3.76Å; T301-F305 HydrophobicContact CG2-CE2 3.87Å; T301-F305 VanDerWaalsContact O-CD2 3.31Å; T301-F305 WeakPolarHBondContact O-CD2 3.32Å; T301-F305 PolarHBondContact O-N 3.4Å |
| 302 | R | 97.6 | Very high | 97.4 | Very high | 100 Ų | 100 | 65.4 Ų | 65.4 | 38% | 0.377 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 176.5 | -71.2 | -173.9 | -67 | 158.8 | 2.7 | 112.3 | F293 M297 D298 V299 D300 F305 T306 | F293-R302 HydrophobicContact CD1-CB 4.4Å; F293-R302 HydrophobicContact CD1-CG 3.98Å; F293-R302 HydrophobicContact CE1-CB 4.44Å; F293-R302 HydrophobicContact CE1-CG 4.44Å; M297-R302 HydrophobicContact CB-CG 3.96Å; M297-R302 HydrophobicContact CE-CG 4.21Å; M297-R302 PolarHBondContact O-NE 3.28Å; M297-R302 VanDerWaalsContact O-NE 3.11Å; D298-R302 WeakPolarHBondContact O-CG 3.44Å; D298-R302 PolarHBondContact O-N 2.6Å; D298-R302 VanDerWaalsContact O-N 3.13Å; V299-R302 PolarHBondContact O-N 2.97Å; D300-R302 VanDerWaalsContact C-N 3.35Å; D300-R302 PolarHBondContact O-N 3.3Å; R302-F305 PolarHBondContact O-N 2.84Å; R302-T306 VanDerWaalsContact O-CB 3.29Å; R302-T306 WeakPolarHBondContact O-CB 3.5Å; R302-T306 PolarHBondContact O-N 3.19Å; R302-T306 PolarHBondContact O-OG1 3.39Å |
| 303 | A | 97.8 | Very high | 97.3 | Very high | 49 Ų | 49 | 68.6 Ų | 68.6 | 41% | 0.405 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | V299 D300 T301 S307 | V299-A303 WeakPolarHBondContact O-CB 3.42Å; V299-A303 PolarHBondContact O-N 3.38Å; D300-A303 PolarHBondContact O-N 3Å; T301-A303 PolarHBondContact O-N 3.22Å; A303-S307 WeakPolarHBondContact O-CB 3.41Å; A303-S307 PolarHBondContact O-N 3.4Å; A303-S307 PolarHBondContact O-OG 3.31Å |
| 304 | Y | 98.3 | Very high | 97.3 | Very high | 119 Ų | 119 | 70.8 Ų | 70.8 | 47% | 0.467 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.1 | -56.3 | 173.7 | 170.1 | -94.8 | 0 | 0 | 0 | 111.3 | D300 T301 T306 S307 A308 | D300-Y304 WeakPolarHBondContact O-CB 3.18Å; D300-Y304 PolarHBondContact O-N 3.42Å; T301-Y304 PolarHBondContact O-N 3.08Å; Y304-T306 VanDerWaalsContact C-N 3.28Å; Y304-T306 PolarHBondContact O-N 3.06Å; Y304-S307 PolarHBondContact O-N 2.91Å; Y304-S307 VanDerWaalsContact O-N 3.13Å; Y304-A308 HydrophobicContact CE1-CB 4.38Å; Y304-A308 WeakPolarHBondContact O-CB 3.35Å; Y304-A308 PolarHBondContact O-N 3.15Å |
| 305 | F | 97.9 | Very high | 97.4 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.057 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65 | -32.2 | -177 | -84.8 | -74.4 | 0 | 0 | 0 | 112.6 | I286 W288 A289 F293 T301 R302 T309 | I286-F305 WeakPolarHBondContact O-CE1 3.14Å; W288-F305 HydrophobicContact CD2-CE1 4.09Å; W288-F305 HydrophobicContact CD2-CZ 4.18Å; W288-F305 AromaticContact CE3-CE1 3.85Å; W288-F305 HydrophobicContact CE3-CE1 3.85Å; W288-F305 HydrophobicContact CE3-CZ 4.07Å; W288-F305 HydrophobicContact CH2-CE1 4.44Å; W288-F305 AromaticContact CH2-CZ 3.85Å; W288-F305 HydrophobicContact CH2-CZ 3.85Å; W288-F305 AromaticContact CZ2-CZ 3.97Å; W288-F305 HydrophobicContact CZ2-CZ 3.97Å; W288-F305 HydrophobicContact CZ3-CE1 4.05Å; W288-F305 AromaticContact CZ3-CZ 3.91Å; W288-F305 HydrophobicContact CZ3-CZ 3.91Å; A289-F305 HydrophobicContact CB-CD1 3.82Å; A289-F305 HydrophobicContact CB-CD2 3.67Å; A289-F305 HydrophobicContact CB-CE1 3.63Å; A289-F305 HydrophobicContact CB-CE2 3.47Å; A289-F305 VanDerWaalsContact CB-CE2 3.47Å; A289-F305 HydrophobicContact CB-CG 3.86Å; 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 4.09Å; T301-F305 HydrophobicContact CG2-CD2 3.76Å; T301-F305 HydrophobicContact CG2-CE2 3.87Å; T301-F305 VanDerWaalsContact O-CD2 3.31Å; T301-F305 WeakPolarHBondContact O-CD2 3.32Å; T301-F305 PolarHBondContact O-N 3.4Å; R302-F305 PolarHBondContact O-N 2.84Å; F305-T309 WeakPolarHBondContact O-CB 3.27Å; F305-T309 PolarHBondContact O-N 3.25Å; F305-T309 PolarHBondContact O-OG1 3.3Å |
| 306 | T | 98 | Very high | 97.4 | Very high | 54 Ų | 54 | 65 Ų | 65 | 33% | 0.331 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.5 | -52.2 | 171.4 | -61 | 0 | 0 | 0 | 0 | 110.6 | R302 Y304 T309 M310 | R302-T306 VanDerWaalsContact O-CB 3.29Å; R302-T306 WeakPolarHBondContact O-CB 3.5Å; R302-T306 PolarHBondContact O-N 3.19Å; R302-T306 PolarHBondContact O-OG1 3.39Å; Y304-T306 VanDerWaalsContact C-N 3.28Å; Y304-T306 PolarHBondContact O-N 3.06Å; T306-T309 PolarHBondContact O-N 3.02Å; T306-M310 HydrophobicContact CG2-CE 3.7Å; T306-M310 HydrophobicContact CG2-SD 4.38Å; T306-M310 WeakPolarHBondContact O-CG 3.37Å; T306-M310 PolarHBondContact O-N 3.35Å |
| 307 | S | 97.7 | Very high | 97.4 | Very high | 66 Ų | 66 | 62.5 Ų | 62.5 | 46% | 0.462 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -64.2 | -47.3 | -178.1 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | A303 Y304 T309 M310 I311 | A303-S307 WeakPolarHBondContact O-CB 3.41Å; A303-S307 PolarHBondContact O-N 3.4Å; A303-S307 PolarHBondContact O-OG 3.31Å; Y304-S307 PolarHBondContact O-N 2.91Å; Y304-S307 VanDerWaalsContact O-N 3.13Å; S307-T309 VanDerWaalsContact C-N 3.32Å; S307-T309 PolarHBondContact O-N 3.32Å; S307-M310 PolarHBondContact O-N 2.92Å; S307-I311 WeakPolarHBondContact O-CG1 3.23Å; S307-I311 PolarHBondContact O-N 2.65Å; S307-I311 VanDerWaalsContact O-N 3.13Å |
| 308 | A | 97.1 | Very high | 97.5 | Very high | 7 Ų | 7 | 64.2 Ų | 64.2 | 6% | 0.058 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V287 Y304 I311 | V287-A308 HydrophobicContact CG1-CB 3.84Å; Y304-A308 HydrophobicContact CE1-CB 4.38Å; Y304-A308 WeakPolarHBondContact O-CB 3.35Å; Y304-A308 PolarHBondContact O-N 3.15Å; A308-I311 PolarHBondContact O-N 3.45Å |
| 309 | T | 97.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 60.2 Ų | 60.2 | 27% | 0.27 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -41.2 | 175.9 | -58.4 | 0 | 0 | 0 | 0 | 111.6 | H290 F305 T306 S307 I311 I312 | H290-T309 WeakPolarHBondContact ND1-CG2 3.35Å; H290-T309 PolarHBondContact ND1-OG1 2.89Å; F305-T309 WeakPolarHBondContact O-CB 3.27Å; F305-T309 PolarHBondContact O-N 3.25Å; F305-T309 PolarHBondContact O-OG1 3.3Å; T306-T309 PolarHBondContact O-N 3.02Å; S307-T309 VanDerWaalsContact C-N 3.32Å; S307-T309 PolarHBondContact O-N 3.32Å; T309-I311 VanDerWaalsContact C-N 3.28Å; T309-I311 PolarHBondContact O-N 3.5Å; T309-I312 WeakPolarHBondContact O-CB 3.25Å; T309-I312 PolarHBondContact O-N 3.43Å |
| 310 | M | 97.6 | Very high | 97.5 | Very high | 132 Ų | 132 | 58.5 Ų | 58.5 | 65% | 0.65 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.8 | -33.8 | 176.9 | -71.6 | 178.6 | -179.1 | 0 | 0 | 112.6 | T306 S307 I312 A313 | T306-M310 HydrophobicContact CG2-CE 3.7Å; T306-M310 HydrophobicContact CG2-SD 4.38Å; T306-M310 WeakPolarHBondContact O-CG 3.37Å; T306-M310 PolarHBondContact O-N 3.35Å; S307-M310 PolarHBondContact O-N 2.92Å; M310-I312 PolarHBondContact O-N 3.32Å; M310-A313 VanDerWaalsContact O-CB 3.26Å; M310-A313 WeakPolarHBondContact O-CB 3.36Å; M310-A313 PolarHBondContact O-N 3.42Å; M310-A313 VanDerWaalsContact O-N 3.1Å |
| 311 | I | 97.5 | Very high | 97.4 | Very high | 86 Ų | 86 | 59.5 Ų | 59.5 | 44% | 0.441 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.8 | -30.3 | 177.6 | -69.2 | 168.4 | 0 | 0 | 0 | 111.6 | L283 S307 A308 T309 A313 I314 P315 | L283-I311 HydrophobicContact CD1-CG2 4Å; S307-I311 WeakPolarHBondContact O-CG1 3.23Å; S307-I311 PolarHBondContact O-N 2.65Å; S307-I311 VanDerWaalsContact O-N 3.13Å; A308-I311 PolarHBondContact O-N 3.45Å; T309-I311 VanDerWaalsContact C-N 3.28Å; T309-I311 PolarHBondContact O-N 3.5Å; I311-A313 PolarHBondContact O-N 3.35Å; I311-I314 WeakPolarHBondContact O-CB 3.35Å; I311-I314 PolarHBondContact O-N 2.9Å; I311-P315 WeakPolarHBondContact O-CD 3.23Å |
| 312 | I | 96.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.4 | 178.5 | -58.4 | -176.6 | 0 | 0 | 0 | 112.4 | Y244 I280 L283 V287 T309 M310 I314 P315 T316 | Y244-I312 HydrophobicContact CE1-CG2 4.34Å; Y244-I312 HydrophobicContact CE2-CD1 4.21Å; Y244-I312 VanDerWaalsContact OH-CD1 3.24Å; Y244-I312 WeakPolarHBondContact OH-CD1 3.32Å; Y244-I312 WeakPolarHBondContact OH-CG2 3.28Å; I280-I312 HydrophobicContact CG1-CG2 4.49Å; L283-I312 HydrophobicContact CB-CD1 3.94Å; L283-I312 HydrophobicContact CB-CG1 3.75Å; L283-I312 HydrophobicContact CD1-CG1 3.92Å; L283-I312 HydrophobicContact CG-CG1 4.43Å; V287-I312 HydrophobicContact CB-CD1 4.12Å; V287-I312 HydrophobicContact CG1-CD1 3.66Å; V287-I312 HydrophobicContact CG1-CG1 4.35Å; V287-I312 HydrophobicContact CG2-CD1 3.53Å; T309-I312 WeakPolarHBondContact O-CB 3.25Å; T309-I312 PolarHBondContact O-N 3.43Å; M310-I312 PolarHBondContact O-N 3.32Å; I312-I314 PolarHBondContact O-N 2.97Å; I312-P315 VanDerWaalsContact O-CD 3.27Å; I312-P315 WeakPolarHBondContact O-CD 3.5Å; I312-P315 WeakPolarHBondContact O-CG 3.42Å; I312-T316 WeakPolarHBondContact O-CB 3.22Å; I312-T316 PolarHBondContact O-N 2.97Å; I312-T316 PolarHBondContact O-OG1 3.42Å |
| 313 | A | 96.8 | Very high | 97.4 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 55% | 0.554 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61 | -27.3 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | M310 I311 G317 | M310-A313 VanDerWaalsContact O-CB 3.26Å; M310-A313 WeakPolarHBondContact O-CB 3.36Å; M310-A313 PolarHBondContact O-N 3.42Å; M310-A313 VanDerWaalsContact O-N 3.1Å; I311-A313 PolarHBondContact O-N 3.35Å; A313-G317 WeakPolarHBondContact O-CA 3.44Å; A313-G317 PolarHBondContact O-N 2.92Å |
| 314 | I | 98.2 | Very high | 97.3 | Very high | 115 Ų | 115 | 59.5 Ų | 59.5 | 59% | 0.59 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -67.3 | -61.8 | -178.6 | -58.2 | 172.3 | 0 | 0 | 0 | 111.8 | I311 I312 T316 G317 V318 | I311-I314 WeakPolarHBondContact O-CB 3.35Å; I311-I314 PolarHBondContact O-N 2.9Å; I312-I314 PolarHBondContact O-N 2.97Å; I314-T316 PolarHBondContact O-N 3.08Å; I314-G317 PolarHBondContact O-N 3.48Å; I314-G317 VanDerWaalsContact O-N 3.12Å; I314-V318 WeakPolarHBondContact O-CG2 3.42Å; I314-V318 PolarHBondContact O-N 2.81Å |
| 315 | P | 98 | Very high | 97.1 | Very high | 11 Ų | 11 | 56.9 Ų | 56.9 | 7% | 0.071 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -63.6 | -32.1 | 178.6 | 25.9 | -34.8 | 0 | 0 | 0 | 112.1 | A276 I280 L283 I311 I312 V318 K319 | A276-P315 HydrophobicContact CB-CB 3.89Å; A276-P315 WeakPolarHBondContact CB-O 3.18Å; A276-P315 WeakPolarHBondContact O-CB 3.25Å; I280-P315 HydrophobicContact CD1-CB 4.39Å; I280-P315 HydrophobicContact CG1-CB 3.99Å; I280-P315 HydrophobicContact CG1-CG 3.83Å; L283-P315 HydrophobicContact CD1-CG 4.3Å; I311-P315 WeakPolarHBondContact O-CD 3.23Å; I312-P315 VanDerWaalsContact O-CD 3.27Å; I312-P315 WeakPolarHBondContact O-CD 3.5Å; I312-P315 WeakPolarHBondContact O-CG 3.42Å; P315-V318 PolarHBondContact O-N 3.02Å; P315-K319 PolarHBondContact O-N 2.58Å |
| 316 | T | 96.9 | Very high | 97 | Very high | 43 Ų | 43 | 59.1 Ų | 59.1 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63 | -45.5 | 173.2 | -53.4 | 0 | 0 | 0 | 0 | 111 | I312 I314 V318 K319 V320 | I312-T316 WeakPolarHBondContact O-CB 3.22Å; I312-T316 PolarHBondContact O-N 2.97Å; I312-T316 PolarHBondContact O-OG1 3.42Å; I314-T316 PolarHBondContact O-N 3.08Å; T316-V318 PolarHBondContact O-N 2.86Å; T316-K319 PolarHBondContact O-N 3.29Å; T316-V320 PolarHBondContact O-N 2.9Å; T316-V320 VanDerWaalsContact O-N 3.16Å |
| 317 | G | 96.8 | Very high | 97 | Very high | 17 Ų | 17 | 59.3 Ų | 59.3 | 18% | 0.175 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A313 I314 K319 V320 F321 | A313-G317 WeakPolarHBondContact O-CA 3.44Å; A313-G317 PolarHBondContact O-N 2.92Å; I314-G317 PolarHBondContact O-N 3.48Å; I314-G317 VanDerWaalsContact O-N 3.12Å; G317-K319 PolarHBondContact O-N 2.92Å; G317-V320 PolarHBondContact O-N 3.07Å; G317-V320 VanDerWaalsContact O-N 3.13Å; G317-F321 WeakPolarHBondContact O-CD2 3.35Å; G317-F321 PolarHBondContact O-N 3.46Å |
| 318 | V | 97.1 | Very high | 96.9 | Very high | 60 Ų | 60 | 58.9 Ų | 58.9 | 36% | 0.364 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -52.1 | -44.8 | 175 | 170.7 | 0 | 0 | 0 | 0 | 111 | A276 I314 P315 T316 S322 | A276-V318 HydrophobicContact CB-CB 4.34Å; A276-V318 HydrophobicContact CB-CG1 4.25Å; I314-V318 WeakPolarHBondContact O-CG2 3.42Å; I314-V318 PolarHBondContact O-N 2.81Å; P315-V318 PolarHBondContact O-N 3.02Å; T316-V318 PolarHBondContact O-N 2.86Å; V318-S322 VanDerWaalsContact O-CB 3.27Å; V318-S322 WeakPolarHBondContact O-CB 3.35Å; V318-S322 PolarHBondContact O-N 3.38Å; V318-S322 PolarHBondContact O-OG 3.13Å |
| 319 | K | 97.4 | Very high | 96.9 | Very high | 1 Ų | 1 | 62 Ų | 62 | 0% | 0.004 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.8 | -44.9 | 179.2 | -65.4 | 173.8 | 60.7 | 62.8 | 0 | 112.4 | F251 A276 M277 I280 P315 T316 G317 S322 W323 | F251-K319 VanDerWaalsContact CB-CE 3.42Å; F251-K319 HydrophobicContact CD2-CD 4.2Å; F251-K319 VanDerWaalsContact CG-CE 3.45Å; A276-K319 HydrophobicContact CB-CD 4.11Å; A276-K319 HydrophobicContact CB-CG 3.73Å; M277-K319 HydrophobicContact CG-CD 3.86Å; M277-K319 PolarHBondContact SD-NZ 2.94Å; I280-K319 HydrophobicContact CD1-CD 3.89Å; P315-K319 PolarHBondContact O-N 2.58Å; T316-K319 PolarHBondContact O-N 3.29Å; G317-K319 PolarHBondContact O-N 2.92Å; K319-S322 PolarHBondContact O-N 2.8Å; K319-W323 HydrophobicContact CB-CH2 4.42Å; K319-W323 HydrophobicContact CB-CZ2 4.4Å; K319-W323 PolarHBondContact O-N 3.04Å |
| 320 | V | 97.1 | Very high | 96.9 | Very high | 63 Ų | 63 | 63.1 Ų | 63.1 | 38% | 0.382 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 179.9 | 176 | 0 | 0 | 0 | 0 | 110.8 | T316 G317 S322 W323 L324 | T316-V320 PolarHBondContact O-N 2.9Å; T316-V320 VanDerWaalsContact O-N 3.16Å; G317-V320 PolarHBondContact O-N 3.07Å; G317-V320 VanDerWaalsContact O-N 3.13Å; V320-S322 PolarHBondContact O-N 3.22Å; V320-W323 HydrophobicContact CB-CE3 4.49Å; V320-W323 HydrophobicContact CG2-CE3 4.27Å; V320-W323 HydrophobicContact CG2-CZ3 3.99Å; V320-W323 PolarHBondContact O-N 2.82Å; V320-L324 PolarHBondContact O-N 3.05Å |
| 321 | F | 97.6 | Very high | 96.9 | Very high | 150 Ų | 150 | 58.5 Ų | 58.5 | 66% | 0.658 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.5 | -36.3 | 176.9 | -66.9 | -57.3 | 0 | 0 | 0 | 112.4 | G317 W323 L324 A325 | G317-F321 WeakPolarHBondContact O-CD2 3.35Å; G317-F321 PolarHBondContact O-N 3.46Å; F321-W323 VanDerWaalsContact C-N 3.28Å; F321-W323 PolarHBondContact O-N 3.22Å; F321-L324 PolarHBondContact O-N 2.86Å; F321-L324 VanDerWaalsContact O-N 3.15Å; F321-A325 WeakPolarHBondContact O-CB 3.31Å; F321-A325 PolarHBondContact O-N 3.47Å |
| 322 | S | 96.6 | Very high | 96.8 | Very high | 11 Ų | 11 | 56.6 Ų | 56.6 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -29.3 | 172.3 | -85.1 | 0 | 0 | 0 | 0 | 113.8 | F268 V318 K319 V320 | F268-S322 VanDerWaalsContact O-CB 3.31Å; F268-S322 WeakPolarHBondContact O-CB 3.33Å; F268-S322 PolarHBondContact O-OG 3.32Å; V318-S322 VanDerWaalsContact O-CB 3.27Å; V318-S322 WeakPolarHBondContact O-CB 3.35Å; V318-S322 PolarHBondContact O-N 3.38Å; V318-S322 PolarHBondContact O-OG 3.13Å; K319-S322 PolarHBondContact O-N 2.8Å; V320-S322 PolarHBondContact O-N 3.22Å |
| 323 | W | 97.2 | Very high | 96.9 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 17% | 0.167 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -74.3 | -30.7 | 173.3 | -65.5 | -36.9 | 0 | 0 | 0 | 112.6 | F251 I254 S255 V258 K319 V320 F321 | F251-W323 HydrophobicContact CB-CH2 4.22Å; F251-W323 HydrophobicContact CB-CZ2 4.06Å; F251-W323 AromaticContact CD1-CH2 3.51Å; F251-W323 HydrophobicContact CD1-CH2 3.51Å; F251-W323 HydrophobicContact CD1-CZ2 4.22Å; F251-W323 HydrophobicContact CE1-CH2 4.06Å; F251-W323 HydrophobicContact CG-CH2 4.09Å; F251-W323 HydrophobicContact CG-CZ2 4.42Å; I254-W323 HydrophobicContact CB-CZ2 4.31Å; I254-W323 HydrophobicContact CG2-CD2 3.97Å; I254-W323 HydrophobicContact CG2-CE3 4.23Å; I254-W323 HydrophobicContact CG2-CG 4.47Å; I254-W323 HydrophobicContact CG2-CH2 4.36Å; I254-W323 HydrophobicContact CG2-CZ2 4.06Å; I254-W323 HydrophobicContact CG2-CZ3 4.43Å; S255-W323 PolarHBondContact OG-NE1 3.18Å; V258-W323 HydrophobicContact CG1-CB 4.41Å; K319-W323 HydrophobicContact CB-CH2 4.42Å; K319-W323 HydrophobicContact CB-CZ2 4.4Å; K319-W323 PolarHBondContact O-N 3.04Å; V320-W323 HydrophobicContact CB-CE3 4.49Å; V320-W323 HydrophobicContact CG2-CE3 4.27Å; V320-W323 HydrophobicContact CG2-CZ3 3.99Å; V320-W323 PolarHBondContact O-N 2.82Å; F321-W323 VanDerWaalsContact C-N 3.28Å; F321-W323 PolarHBondContact O-N 3.22Å |
| 324 | L | 95.9 | Very high | 96.9 | Very high | 139 Ų | 139 | 59.8 Ų | 59.8 | 73% | 0.728 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -81.1 | -35 | -179.8 | -67.6 | 173.3 | 0 | 0 | 0 | 113.2 | V320 F321 | V320-L324 PolarHBondContact O-N 3.05Å; F321-L324 PolarHBondContact O-N 2.86Å; F321-L324 VanDerWaalsContact O-N 3.15Å |
| 325 | A | 93.4 | Very high | 96.7 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 52% | 0.521 | 31% | 0.31 | S | S | . | . | trans | -71.7 | 0 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K264 F268 F321 | K264-A325 PolarHBondContact NZ-O 3.33Å; K264-A325 PolarHBondContact NZ-OXT 3.28Å; F268-A325 HydrophobicContact CB-CB 4.18Å; F268-A325 WeakPolarHBondContact CB-OXT 3.36Å; F268-A325 HydrophobicContact CD1-CB 3.66Å; F268-A325 HydrophobicContact CD2-CB 4.32Å; F268-A325 HydrophobicContact CE1-CB 4.1Å; F268-A325 HydrophobicContact CG-CB 3.78Å; F321-A325 WeakPolarHBondContact O-CB 3.31Å; F321-A325 PolarHBondContact O-N 3.47Å |
Retrieved 325 of 325 residues in 576.8 ms
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